Program PWSCF v.5.1.1 starts on 16Jul2015 at 15: 7:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./CdS.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized 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 67 17 5 1653 199 37 Max 68 18 6 1655 216 39 Sum 2149 545 177 52923 6611 1207 bravais-lattice index = 14 lattice parameter (alat) = 6.5015 a.u. unit-cell volume = 193.9852 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.501534 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.511979 celldm(5)= -0.491085 celldm(6)= 0.003064 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.003064 0.999995 0.000000 ) a(3) = ( -0.491085 -0.510477 0.705867 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.003064 0.693502 ) b(2) = ( 0.000000 1.000005 0.723194 ) b(3) = ( 0.000000 0.000000 1.416697 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 S 6.00 32.06500 S( 1.00) Cd 12.00 112.41100 Cd( 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= 549 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018215 k( 2) = ( -0.0053860 0.0054025 0.0077902), wk = 0.0018215 k( 3) = ( -0.0107720 0.0108050 0.0155804), wk = 0.0018215 k( 4) = ( -0.0161579 0.0162075 0.0233706), wk = 0.0018215 k( 5) = ( -0.0215439 0.0216100 0.0311609), wk = 0.0018215 k( 6) = ( -0.0269299 0.0270125 0.0389511), wk = 0.0018215 k( 7) = ( -0.0323159 0.0324150 0.0467413), wk = 0.0018215 k( 8) = ( -0.0377018 0.0378175 0.0545315), wk = 0.0018215 k( 9) = ( -0.0430878 0.0432201 0.0623217), wk = 0.0018215 k( 10) = ( -0.0484738 0.0486226 0.0701119), wk = 0.0018215 k( 11) = ( -0.0538598 0.0540251 0.0779022), wk = 0.0018215 k( 12) = ( -0.0592458 0.0594276 0.0856924), wk = 0.0018215 k( 13) = ( -0.0646317 0.0648301 0.0934826), wk = 0.0018215 k( 14) = ( -0.0700177 0.0702326 0.1012728), wk = 0.0018215 k( 15) = ( -0.0754037 0.0756351 0.1090630), wk = 0.0018215 k( 16) = ( -0.0807897 0.0810376 0.1168532), wk = 0.0018215 k( 17) = ( -0.0861756 0.0864401 0.1246434), wk = 0.0018215 k( 18) = ( -0.0915616 0.0918426 0.1324336), wk = 0.0018215 k( 19) = ( -0.0969476 0.0972451 0.1402239), wk = 0.0018215 k( 20) = ( -0.1023336 0.1026476 0.1480141), wk = 0.0018215 k( 21) = ( -0.1077196 0.1080502 0.1558043), wk = 0.0018215 k( 22) = ( -0.1131055 0.1134527 0.1635945), wk = 0.0018215 k( 23) = ( -0.1184915 0.1188552 0.1713847), wk = 0.0018215 k( 24) = ( -0.1238775 0.1242577 0.1791749), wk = 0.0018215 k( 25) = ( -0.1292635 0.1296602 0.1869652), wk = 0.0018215 k( 26) = ( -0.1346494 0.1350627 0.1947554), wk = 0.0018215 k( 27) = ( -0.1400354 0.1404652 0.2025456), wk = 0.0018215 k( 28) = ( -0.1454214 0.1458677 0.2103358), wk = 0.0018215 k( 29) = ( -0.1508074 0.1512702 0.2181260), wk = 0.0018215 k( 30) = ( -0.1561934 0.1566727 0.2259162), wk = 0.0018215 k( 31) = ( -0.1615793 0.1620752 0.2337064), wk = 0.0018215 k( 32) = ( -0.1669653 0.1674777 0.2414967), wk = 0.0018215 k( 33) = ( -0.1723513 0.1728802 0.2492869), wk = 0.0018215 k( 34) = ( -0.1777373 0.1782828 0.2570771), wk = 0.0018215 k( 35) = ( -0.1831232 0.1836853 0.2648673), wk = 0.0018215 k( 36) = ( -0.1885092 0.1890878 0.2726575), wk = 0.0018215 k( 37) = ( -0.1938952 0.1944903 0.2804477), wk = 0.0018215 k( 38) = ( -0.1992812 0.1998928 0.2882380), wk = 0.0018215 k( 39) = ( -0.2046672 0.2052953 0.2960282), wk = 0.0018215 k( 40) = ( -0.2100531 0.2106978 0.3038184), wk = 0.0018215 k( 41) = ( -0.2154391 0.2161003 0.3116086), wk = 0.0018215 k( 42) = ( -0.2208251 0.2215028 0.3193988), wk = 0.0018215 k( 43) = ( -0.2262111 0.2269053 0.3271890), wk = 0.0018215 k( 44) = ( -0.2315970 0.2323078 0.3349792), wk = 0.0018215 k( 45) = ( -0.2369830 0.2377103 0.3427694), wk = 0.0018215 k( 46) = ( -0.2423690 0.2431128 0.3505597), wk = 0.0018215 k( 47) = ( -0.2477550 0.2485153 0.3583499), wk = 0.0018215 k( 48) = ( -0.2531410 0.2539179 0.3661401), wk = 0.0018215 k( 49) = ( -0.2585269 0.2593204 0.3739303), wk = 0.0018215 k( 50) = ( -0.2639129 0.2647229 0.3817205), wk = 0.0018215 k( 51) = ( -0.2692989 0.2701254 0.3895107), wk = 0.0018215 k( 52) = ( -0.2746849 0.2755279 0.3973010), wk = 0.0018215 k( 53) = ( -0.2800708 0.2809304 0.4050912), wk = 0.0018215 k( 54) = ( -0.2854568 0.2863329 0.4128814), wk = 0.0018215 k( 55) = ( -0.2908428 0.2917354 0.4206716), wk = 0.0018215 k( 56) = ( -0.2962288 0.2971379 0.4284618), wk = 0.0018215 k( 57) = ( -0.3016148 0.3025404 0.4362520), wk = 0.0018215 k( 58) = ( -0.3070007 0.3079429 0.4440422), wk = 0.0018215 k( 59) = ( -0.3123867 0.3133454 0.4518325), wk = 0.0018215 k( 60) = ( -0.3177727 0.3187479 0.4596227), wk = 0.0018215 k( 61) = ( -0.3231587 0.3241505 0.4674129), wk = 0.0018215 k( 62) = ( -0.3285446 0.3295530 0.4752031), wk = 0.0018215 k( 63) = ( -0.3339306 0.3349555 0.4829933), wk = 0.0018215 k( 64) = ( -0.3393166 0.3403580 0.4907835), wk = 0.0018215 k( 65) = ( -0.3447026 0.3457605 0.4985738), wk = 0.0018215 k( 66) = ( -0.3500886 0.3511630 0.5063640), wk = 0.0018215 k( 67) = ( -0.3554745 0.3565655 0.5141542), wk = 0.0018215 k( 68) = ( -0.3608605 0.3619680 0.5219444), wk = 0.0018215 k( 69) = ( -0.3662465 0.3673705 0.5297346), wk = 0.0018215 k( 70) = ( -0.3716325 0.3727730 0.5375248), wk = 0.0018215 k( 71) = ( -0.3716325 0.3727730 0.5375248), wk = 0.0018215 k( 72) = ( -0.3662777 0.3674018 0.5449519), wk = 0.0018215 k( 73) = ( -0.3609229 0.3620306 0.5523790), wk = 0.0018215 k( 74) = ( -0.3555681 0.3566594 0.5598061), wk = 0.0018215 k( 75) = ( -0.3502133 0.3512882 0.5672333), wk = 0.0018215 k( 76) = ( -0.3448586 0.3459170 0.5746604), wk = 0.0018215 k( 77) = ( -0.3395038 0.3405457 0.5820875), wk = 0.0018215 k( 78) = ( -0.3341490 0.3351745 0.5895146), wk = 0.0018215 k( 79) = ( -0.3287942 0.3298033 0.5969417), wk = 0.0018215 k( 80) = ( -0.3234394 0.3244321 0.6043688), wk = 0.0018215 k( 81) = ( -0.3180847 0.3190609 0.6117959), wk = 0.0018215 k( 82) = ( -0.3127299 0.3136897 0.6192230), wk = 0.0018215 k( 83) = ( -0.3073751 0.3083184 0.6266501), wk = 0.0018215 k( 84) = ( -0.3020203 0.3029472 0.6340772), wk = 0.0018215 k( 85) = ( -0.2966655 0.2975760 0.6415043), wk = 0.0018215 k( 86) = ( -0.2913108 0.2922048 0.6489314), wk = 0.0018215 k( 87) = ( -0.2859560 0.2868336 0.6563585), wk = 0.0018215 k( 88) = ( -0.2806012 0.2814624 0.6637856), wk = 0.0018215 k( 89) = ( -0.2752464 0.2760912 0.6712127), wk = 0.0018215 k( 90) = ( -0.2698916 0.2707199 0.6786398), wk = 0.0018215 k( 91) = ( -0.2645369 0.2653487 0.6860669), wk = 0.0018215 k( 92) = ( -0.2591821 0.2599775 0.6934941), wk = 0.0018215 k( 93) = ( -0.2538273 0.2546063 0.7009212), wk = 0.0018215 k( 94) = ( -0.2484725 0.2492351 0.7083483), wk = 0.0018215 k( 95) = ( -0.2484725 0.2492351 0.7083483), wk = 0.0018215 k( 96) = ( -0.2409430 0.2416825 0.7083483), wk = 0.0018215 k( 97) = ( -0.2334136 0.2341299 0.7083483), wk = 0.0018215 k( 98) = ( -0.2258841 0.2265774 0.7083483), wk = 0.0018215 k( 99) = ( -0.2183546 0.2190248 0.7083483), wk = 0.0018215 k( 100) = ( -0.2108252 0.2114722 0.7083483), wk = 0.0018215 k( 101) = ( -0.2032957 0.2039196 0.7083483), wk = 0.0018215 k( 102) = ( -0.1957662 0.1963670 0.7083483), wk = 0.0018215 k( 103) = ( -0.1882368 0.1888145 0.7083483), wk = 0.0018215 k( 104) = ( -0.1807073 0.1812619 0.7083483), wk = 0.0018215 k( 105) = ( -0.1731778 0.1737093 0.7083483), wk = 0.0018215 k( 106) = ( -0.1656483 0.1661567 0.7083483), wk = 0.0018215 k( 107) = ( -0.1581189 0.1586042 0.7083483), wk = 0.0018215 k( 108) = ( -0.1505894 0.1510516 0.7083483), wk = 0.0018215 k( 109) = ( -0.1430599 0.1434990 0.7083483), wk = 0.0018215 k( 110) = ( -0.1355305 0.1359464 0.7083483), wk = 0.0018215 k( 111) = ( -0.1280010 0.1283938 0.7083483), wk = 0.0018215 k( 112) = ( -0.1204715 0.1208413 0.7083483), wk = 0.0018215 k( 113) = ( -0.1129421 0.1132887 0.7083483), wk = 0.0018215 k( 114) = ( -0.1054126 0.1057361 0.7083483), wk = 0.0018215 k( 115) = ( -0.0978831 0.0981835 0.7083483), wk = 0.0018215 k( 116) = ( -0.0903536 0.0906309 0.7083483), wk = 0.0018215 k( 117) = ( -0.0828242 0.0830784 0.7083483), wk = 0.0018215 k( 118) = ( -0.0752947 0.0755258 0.7083483), wk = 0.0018215 k( 119) = ( -0.0677652 0.0679732 0.7083483), wk = 0.0018215 k( 120) = ( -0.0602358 0.0604206 0.7083483), wk = 0.0018215 k( 121) = ( -0.0527063 0.0528680 0.7083483), wk = 0.0018215 k( 122) = ( -0.0451768 0.0453155 0.7083483), wk = 0.0018215 k( 123) = ( -0.0376474 0.0377629 0.7083483), wk = 0.0018215 k( 124) = ( -0.0301179 0.0302103 0.7083483), wk = 0.0018215 k( 125) = ( -0.0225884 0.0226577 0.7083483), wk = 0.0018215 k( 126) = ( -0.0150589 0.0151052 0.7083483), wk = 0.0018215 k( 127) = ( -0.0075295 0.0075526 0.7083483), wk = 0.0018215 k( 128) = ( 0.0000000 0.0000000 0.7083483), wk = 0.0018215 k( 129) = ( 0.0000000 0.0000000 0.7083483), wk = 0.0018215 k( 130) = ( 0.0075758 0.0075526 0.7083483), wk = 0.0018215 k( 131) = ( 0.0151515 0.0151052 0.7083483), wk = 0.0018215 k( 132) = ( 0.0227273 0.0226577 0.7083483), wk = 0.0018215 k( 133) = ( 0.0303030 0.0302103 0.7083483), wk = 0.0018215 k( 134) = ( 0.0378788 0.0377629 0.7083483), wk = 0.0018215 k( 135) = ( 0.0454546 0.0453155 0.7083483), wk = 0.0018215 k( 136) = ( 0.0530303 0.0528680 0.7083483), wk = 0.0018215 k( 137) = ( 0.0606061 0.0604206 0.7083483), wk = 0.0018215 k( 138) = ( 0.0681818 0.0679732 0.7083483), wk = 0.0018215 k( 139) = ( 0.0757576 0.0755258 0.7083483), wk = 0.0018215 k( 140) = ( 0.0833333 0.0830784 0.7083483), wk = 0.0018215 k( 141) = ( 0.0909091 0.0906309 0.7083483), wk = 0.0018215 k( 142) = ( 0.0984848 0.0981835 0.7083483), wk = 0.0018215 k( 143) = ( 0.1060606 0.1057361 0.7083483), wk = 0.0018215 k( 144) = ( 0.1136364 0.1132887 0.7083483), wk = 0.0018215 k( 145) = ( 0.1212121 0.1208413 0.7083483), wk = 0.0018215 k( 146) = ( 0.1287879 0.1283938 0.7083483), wk = 0.0018215 k( 147) = ( 0.1363636 0.1359464 0.7083483), wk = 0.0018215 k( 148) = ( 0.1439394 0.1434990 0.7083483), wk = 0.0018215 k( 149) = ( 0.1515151 0.1510516 0.7083483), wk = 0.0018215 k( 150) = ( 0.1590909 0.1586041 0.7083483), wk = 0.0018215 k( 151) = ( 0.1666667 0.1661567 0.7083483), wk = 0.0018215 k( 152) = ( 0.1742424 0.1737093 0.7083483), wk = 0.0018215 k( 153) = ( 0.1818182 0.1812619 0.7083483), wk = 0.0018215 k( 154) = ( 0.1893939 0.1888145 0.7083483), wk = 0.0018215 k( 155) = ( 0.1969697 0.1963670 0.7083483), wk = 0.0018215 k( 156) = ( 0.2045454 0.2039196 0.7083483), wk = 0.0018215 k( 157) = ( 0.2121212 0.2114722 0.7083483), wk = 0.0018215 k( 158) = ( 0.2196970 0.2190248 0.7083483), wk = 0.0018215 k( 159) = ( 0.2272727 0.2265774 0.7083483), wk = 0.0018215 k( 160) = ( 0.2348485 0.2341299 0.7083483), wk = 0.0018215 k( 161) = ( 0.2424242 0.2416825 0.7083483), wk = 0.0018215 k( 162) = ( 0.2500000 0.2492351 0.7083483), wk = 0.0018215 k( 163) = ( 0.2500000 0.2492351 0.7083483), wk = 0.0018215 k( 164) = ( 0.2445652 0.2546865 0.7008102), wk = 0.0018215 k( 165) = ( 0.2391304 0.2601380 0.6932721), wk = 0.0018215 k( 166) = ( 0.2336957 0.2655895 0.6857341), wk = 0.0018215 k( 167) = ( 0.2282609 0.2710409 0.6781960), wk = 0.0018215 k( 168) = ( 0.2228261 0.2764924 0.6706579), wk = 0.0018215 k( 169) = ( 0.2173913 0.2819439 0.6631198), wk = 0.0018215 k( 170) = ( 0.2119565 0.2873953 0.6555818), wk = 0.0018215 k( 171) = ( 0.2065217 0.2928468 0.6480437), wk = 0.0018215 k( 172) = ( 0.2010870 0.2982982 0.6405056), wk = 0.0018215 k( 173) = ( 0.1956522 0.3037497 0.6329676), wk = 0.0018215 k( 174) = ( 0.1902174 0.3092012 0.6254295), wk = 0.0018215 k( 175) = ( 0.1847826 0.3146526 0.6178914), wk = 0.0018215 k( 176) = ( 0.1793478 0.3201041 0.6103534), wk = 0.0018215 k( 177) = ( 0.1739130 0.3255556 0.6028153), wk = 0.0018215 k( 178) = ( 0.1684783 0.3310070 0.5952772), wk = 0.0018215 k( 179) = ( 0.1630435 0.3364585 0.5877392), wk = 0.0018215 k( 180) = ( 0.1576087 0.3419099 0.5802011), wk = 0.0018215 k( 181) = ( 0.1521739 0.3473614 0.5726630), wk = 0.0018215 k( 182) = ( 0.1467391 0.3528129 0.5651249), wk = 0.0018215 k( 183) = ( 0.1413043 0.3582643 0.5575869), wk = 0.0018215 k( 184) = ( 0.1358696 0.3637158 0.5500488), wk = 0.0018215 k( 185) = ( 0.1304348 0.3691673 0.5425107), wk = 0.0018215 k( 186) = ( 0.1250000 0.3746187 0.5349727), wk = 0.0018215 k( 187) = ( 0.1195652 0.3800702 0.5274346), wk = 0.0018215 k( 188) = ( 0.1141304 0.3855216 0.5198965), wk = 0.0018215 k( 189) = ( 0.1086957 0.3909731 0.5123585), wk = 0.0018215 k( 190) = ( 0.1032609 0.3964246 0.5048204), wk = 0.0018215 k( 191) = ( 0.0978261 0.4018760 0.4972823), wk = 0.0018215 k( 192) = ( 0.0923913 0.4073275 0.4897442), wk = 0.0018215 k( 193) = ( 0.0869565 0.4127790 0.4822062), wk = 0.0018215 k( 194) = ( 0.0815217 0.4182304 0.4746681), wk = 0.0018215 k( 195) = ( 0.0760870 0.4236819 0.4671300), wk = 0.0018215 k( 196) = ( 0.0706522 0.4291333 0.4595920), wk = 0.0018215 k( 197) = ( 0.0652174 0.4345848 0.4520539), wk = 0.0018215 k( 198) = ( 0.0597826 0.4400363 0.4445158), wk = 0.0018215 k( 199) = ( 0.0543478 0.4454877 0.4369778), wk = 0.0018215 k( 200) = ( 0.0489130 0.4509392 0.4294397), wk = 0.0018215 k( 201) = ( 0.0434783 0.4563907 0.4219016), wk = 0.0018215 k( 202) = ( 0.0380435 0.4618421 0.4143635), wk = 0.0018215 k( 203) = ( 0.0326087 0.4672936 0.4068255), wk = 0.0018215 k( 204) = ( 0.0271739 0.4727450 0.3992874), wk = 0.0018215 k( 205) = ( 0.0217391 0.4781965 0.3917493), wk = 0.0018215 k( 206) = ( 0.0163043 0.4836480 0.3842113), wk = 0.0018215 k( 207) = ( 0.0108696 0.4890994 0.3766732), wk = 0.0018215 k( 208) = ( 0.0054348 0.4945509 0.3691351), wk = 0.0018215 k( 209) = ( 0.0000000 0.5000023 0.3615971), wk = 0.0018215 k( 210) = ( 0.0000000 0.5000023 0.3615971), wk = 0.0018215 k( 211) = ( 0.0092908 0.5031831 0.3571989), wk = 0.0018215 k( 212) = ( 0.0185816 0.5063638 0.3528007), wk = 0.0018215 k( 213) = ( 0.0278724 0.5095445 0.3484025), wk = 0.0018215 k( 214) = ( 0.0371633 0.5127253 0.3440043), wk = 0.0018215 k( 215) = ( 0.0464541 0.5159060 0.3396061), wk = 0.0018215 k( 216) = ( 0.0557449 0.5190867 0.3352079), wk = 0.0018215 k( 217) = ( 0.0650357 0.5222675 0.3308097), wk = 0.0018215 k( 218) = ( 0.0743265 0.5254482 0.3264115), wk = 0.0018215 k( 219) = ( 0.0836173 0.5286289 0.3220133), wk = 0.0018215 k( 220) = ( 0.0929081 0.5318097 0.3176151), wk = 0.0018215 k( 221) = ( 0.1021989 0.5349904 0.3132169), wk = 0.0018215 k( 222) = ( 0.1114897 0.5381711 0.3088187), wk = 0.0018215 k( 223) = ( 0.1207806 0.5413519 0.3044205), wk = 0.0018215 k( 224) = ( 0.1300714 0.5445326 0.3000223), wk = 0.0018215 k( 225) = ( 0.1393622 0.5477133 0.2956241), wk = 0.0018215 k( 226) = ( 0.1486530 0.5508941 0.2912259), wk = 0.0018215 k( 227) = ( 0.1579438 0.5540748 0.2868278), wk = 0.0018215 k( 228) = ( 0.1672346 0.5572555 0.2824296), wk = 0.0018215 k( 229) = ( 0.1765254 0.5604363 0.2780314), wk = 0.0018215 k( 230) = ( 0.1858162 0.5636170 0.2736332), wk = 0.0018215 k( 231) = ( 0.1951071 0.5667977 0.2692350), wk = 0.0018215 k( 232) = ( 0.2043979 0.5699785 0.2648368), wk = 0.0018215 k( 233) = ( 0.2136887 0.5731592 0.2604386), wk = 0.0018215 k( 234) = ( 0.2229795 0.5763399 0.2560404), wk = 0.0018215 k( 235) = ( 0.2322703 0.5795207 0.2516422), wk = 0.0018215 k( 236) = ( 0.2415611 0.5827014 0.2472440), wk = 0.0018215 k( 237) = ( 0.2508519 0.5858821 0.2428458), wk = 0.0018215 k( 238) = ( 0.2601427 0.5890629 0.2384476), wk = 0.0018215 k( 239) = ( 0.2694335 0.5922436 0.2340494), wk = 0.0018215 k( 240) = ( 0.2787244 0.5954243 0.2296512), wk = 0.0018215 k( 241) = ( 0.2880152 0.5986051 0.2252530), wk = 0.0018215 k( 242) = ( 0.2973060 0.6017858 0.2208548), wk = 0.0018215 k( 243) = ( 0.3065968 0.6049665 0.2164566), wk = 0.0018215 k( 244) = ( 0.3158876 0.6081473 0.2120584), wk = 0.0018215 k( 245) = ( 0.3251784 0.6113280 0.2076603), wk = 0.0018215 k( 246) = ( 0.3344692 0.6145087 0.2032621), wk = 0.0018215 k( 247) = ( 0.3437600 0.6176895 0.1988639), wk = 0.0018215 k( 248) = ( 0.3530508 0.6208702 0.1944657), wk = 0.0018215 k( 249) = ( 0.3623417 0.6240509 0.1900675), wk = 0.0018215 k( 250) = ( 0.3716325 0.6272317 0.1856693), wk = 0.0018215 k( 251) = ( 0.3716325 0.6272317 0.1856693), wk = 0.0018215 k( 252) = ( 0.3769811 0.6218666 0.1779331), wk = 0.0018215 k( 253) = ( 0.3823298 0.6165016 0.1701968), wk = 0.0018215 k( 254) = ( 0.3876784 0.6111365 0.1624606), wk = 0.0018215 k( 255) = ( 0.3930271 0.6057714 0.1547244), wk = 0.0018215 k( 256) = ( 0.3983757 0.6004064 0.1469882), wk = 0.0018215 k( 257) = ( 0.4037244 0.5950413 0.1392520), wk = 0.0018215 k( 258) = ( 0.4090730 0.5896762 0.1315157), wk = 0.0018215 k( 259) = ( 0.4144216 0.5843112 0.1237795), wk = 0.0018215 k( 260) = ( 0.4197703 0.5789461 0.1160433), wk = 0.0018215 k( 261) = ( 0.4251189 0.5735811 0.1083071), wk = 0.0018215 k( 262) = ( 0.4304676 0.5682160 0.1005709), wk = 0.0018215 k( 263) = ( 0.4358162 0.5628509 0.0928346), wk = 0.0018215 k( 264) = ( 0.4411649 0.5574859 0.0850984), wk = 0.0018215 k( 265) = ( 0.4465135 0.5521208 0.0773622), wk = 0.0018215 k( 266) = ( 0.4518622 0.5467557 0.0696260), wk = 0.0018215 k( 267) = ( 0.4572108 0.5413907 0.0618898), wk = 0.0018215 k( 268) = ( 0.4625595 0.5360256 0.0541535), wk = 0.0018215 k( 269) = ( 0.4679081 0.5306606 0.0464173), wk = 0.0018215 k( 270) = ( 0.4732568 0.5252955 0.0386811), wk = 0.0018215 k( 271) = ( 0.4786054 0.5199304 0.0309449), wk = 0.0018215 k( 272) = ( 0.4839541 0.5145654 0.0232087), wk = 0.0018215 k( 273) = ( 0.4893027 0.5092003 0.0154724), wk = 0.0018215 k( 274) = ( 0.4946513 0.5038352 0.0077362), wk = 0.0018215 k( 275) = ( 0.5000000 0.4984702 0.0000000), wk = 0.0018215 k( 276) = ( 0.5000000 0.4984702 0.0000000), wk = 0.0018215 k( 277) = ( 0.4923077 0.4908014 0.0000000), wk = 0.0018215 k( 278) = ( 0.4846154 0.4831326 0.0000000), wk = 0.0018215 k( 279) = ( 0.4769231 0.4754639 0.0000000), wk = 0.0018215 k( 280) = ( 0.4692308 0.4677951 0.0000000), wk = 0.0018215 k( 281) = ( 0.4615385 0.4601263 0.0000000), wk = 0.0018215 k( 282) = ( 0.4538462 0.4524575 0.0000000), wk = 0.0018215 k( 283) = ( 0.4461539 0.4447888 0.0000000), wk = 0.0018215 k( 284) = ( 0.4384615 0.4371200 0.0000000), wk = 0.0018215 k( 285) = ( 0.4307692 0.4294512 0.0000000), wk = 0.0018215 k( 286) = ( 0.4230769 0.4217825 0.0000000), wk = 0.0018215 k( 287) = ( 0.4153846 0.4141137 0.0000000), wk = 0.0018215 k( 288) = ( 0.4076923 0.4064449 0.0000000), wk = 0.0018215 k( 289) = ( 0.4000000 0.3987761 0.0000000), wk = 0.0018215 k( 290) = ( 0.3923077 0.3911074 0.0000000), wk = 0.0018215 k( 291) = ( 0.3846154 0.3834386 0.0000000), wk = 0.0018215 k( 292) = ( 0.3769231 0.3757698 0.0000000), wk = 0.0018215 k( 293) = ( 0.3692308 0.3681011 0.0000000), wk = 0.0018215 k( 294) = ( 0.3615385 0.3604323 0.0000000), wk = 0.0018215 k( 295) = ( 0.3538462 0.3527635 0.0000000), wk = 0.0018215 k( 296) = ( 0.3461538 0.3450947 0.0000000), wk = 0.0018215 k( 297) = ( 0.3384615 0.3374260 0.0000000), wk = 0.0018215 k( 298) = ( 0.3307692 0.3297572 0.0000000), wk = 0.0018215 k( 299) = ( 0.3230769 0.3220884 0.0000000), wk = 0.0018215 k( 300) = ( 0.3153846 0.3144197 0.0000000), wk = 0.0018215 k( 301) = ( 0.3076923 0.3067509 0.0000000), wk = 0.0018215 k( 302) = ( 0.3000000 0.2990821 0.0000000), wk = 0.0018215 k( 303) = ( 0.2923077 0.2914133 0.0000000), wk = 0.0018215 k( 304) = ( 0.2846154 0.2837446 0.0000000), wk = 0.0018215 k( 305) = ( 0.2769231 0.2760758 0.0000000), wk = 0.0018215 k( 306) = ( 0.2692308 0.2684070 0.0000000), wk = 0.0018215 k( 307) = ( 0.2615385 0.2607382 0.0000000), wk = 0.0018215 k( 308) = ( 0.2538461 0.2530695 0.0000000), wk = 0.0018215 k( 309) = ( 0.2461539 0.2454007 0.0000000), wk = 0.0018215 k( 310) = ( 0.2384615 0.2377319 0.0000000), wk = 0.0018215 k( 311) = ( 0.2307692 0.2300632 0.0000000), wk = 0.0018215 k( 312) = ( 0.2230769 0.2223944 0.0000000), wk = 0.0018215 k( 313) = ( 0.2153846 0.2147256 0.0000000), wk = 0.0018215 k( 314) = ( 0.2076923 0.2070568 0.0000000), wk = 0.0018215 k( 315) = ( 0.2000000 0.1993881 0.0000000), wk = 0.0018215 k( 316) = ( 0.1923077 0.1917193 0.0000000), wk = 0.0018215 k( 317) = ( 0.1846154 0.1840505 0.0000000), wk = 0.0018215 k( 318) = ( 0.1769231 0.1763818 0.0000000), wk = 0.0018215 k( 319) = ( 0.1692308 0.1687130 0.0000000), wk = 0.0018215 k( 320) = ( 0.1615385 0.1610442 0.0000000), wk = 0.0018215 k( 321) = ( 0.1538461 0.1533754 0.0000000), wk = 0.0018215 k( 322) = ( 0.1461539 0.1457067 0.0000000), wk = 0.0018215 k( 323) = ( 0.1384615 0.1380379 0.0000000), wk = 0.0018215 k( 324) = ( 0.1307692 0.1303691 0.0000000), wk = 0.0018215 k( 325) = ( 0.1230769 0.1227003 0.0000000), wk = 0.0018215 k( 326) = ( 0.1153846 0.1150316 0.0000000), wk = 0.0018215 k( 327) = ( 0.1076923 0.1073628 0.0000000), wk = 0.0018215 k( 328) = ( 0.1000000 0.0996940 0.0000000), wk = 0.0018215 k( 329) = ( 0.0923077 0.0920253 0.0000000), wk = 0.0018215 k( 330) = ( 0.0846154 0.0843565 0.0000000), wk = 0.0018215 k( 331) = ( 0.0769231 0.0766877 0.0000000), wk = 0.0018215 k( 332) = ( 0.0692308 0.0690189 0.0000000), wk = 0.0018215 k( 333) = ( 0.0615385 0.0613502 0.0000000), wk = 0.0018215 k( 334) = ( 0.0538462 0.0536814 0.0000000), wk = 0.0018215 k( 335) = ( 0.0461539 0.0460126 0.0000000), wk = 0.0018215 k( 336) = ( 0.0384615 0.0383439 0.0000000), wk = 0.0018215 k( 337) = ( 0.0307692 0.0306751 0.0000000), wk = 0.0018215 k( 338) = ( 0.0230769 0.0230063 0.0000000), wk = 0.0018215 k( 339) = ( 0.0153846 0.0153375 0.0000000), wk = 0.0018215 k( 340) = ( 0.0076923 0.0076688 0.0000000), wk = 0.0018215 k( 341) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018215 k( 342) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018215 k( 343) = ( 0.0054614 -0.0054782 0.0075751), wk = 0.0018215 k( 344) = ( 0.0109229 -0.0109564 0.0151501), wk = 0.0018215 k( 345) = ( 0.0163843 -0.0164346 0.0227252), wk = 0.0018215 k( 346) = ( 0.0218458 -0.0219128 0.0303002), wk = 0.0018215 k( 347) = ( 0.0273073 -0.0273911 0.0378753), wk = 0.0018215 k( 348) = ( 0.0327687 -0.0328693 0.0454503), wk = 0.0018215 k( 349) = ( 0.0382301 -0.0383475 0.0530254), wk = 0.0018215 k( 350) = ( 0.0436916 -0.0438257 0.0606005), wk = 0.0018215 k( 351) = ( 0.0491530 -0.0493039 0.0681755), wk = 0.0018215 k( 352) = ( 0.0546145 -0.0547821 0.0757506), wk = 0.0018215 k( 353) = ( 0.0600760 -0.0602603 0.0833256), wk = 0.0018215 k( 354) = ( 0.0655374 -0.0657385 0.0909007), wk = 0.0018215 k( 355) = ( 0.0709989 -0.0712167 0.0984757), wk = 0.0018215 k( 356) = ( 0.0764603 -0.0766950 0.1060508), wk = 0.0018215 k( 357) = ( 0.0819218 -0.0821732 0.1136259), wk = 0.0018215 k( 358) = ( 0.0873832 -0.0876514 0.1212009), wk = 0.0018215 k( 359) = ( 0.0928447 -0.0931296 0.1287760), wk = 0.0018215 k( 360) = ( 0.0983061 -0.0986078 0.1363510), wk = 0.0018215 k( 361) = ( 0.1037676 -0.1040860 0.1439261), wk = 0.0018215 k( 362) = ( 0.1092290 -0.1095642 0.1515012), wk = 0.0018215 k( 363) = ( 0.1146904 -0.1150424 0.1590762), wk = 0.0018215 k( 364) = ( 0.1201519 -0.1205207 0.1666513), wk = 0.0018215 k( 365) = ( 0.1256134 -0.1259989 0.1742263), wk = 0.0018215 k( 366) = ( 0.1310748 -0.1314771 0.1818014), wk = 0.0018215 k( 367) = ( 0.1365362 -0.1369553 0.1893764), wk = 0.0018215 k( 368) = ( 0.1419977 -0.1424335 0.1969515), wk = 0.0018215 k( 369) = ( 0.1474592 -0.1479117 0.2045266), wk = 0.0018215 k( 370) = ( 0.1529206 -0.1533899 0.2121016), wk = 0.0018215 k( 371) = ( 0.1583820 -0.1588681 0.2196767), wk = 0.0018215 k( 372) = ( 0.1638435 -0.1643463 0.2272517), wk = 0.0018215 k( 373) = ( 0.1693050 -0.1698246 0.2348268), wk = 0.0018215 k( 374) = ( 0.1747664 -0.1753028 0.2424018), wk = 0.0018215 k( 375) = ( 0.1802278 -0.1807810 0.2499769), wk = 0.0018215 k( 376) = ( 0.1856893 -0.1862592 0.2575520), wk = 0.0018215 k( 377) = ( 0.1911508 -0.1917374 0.2651270), wk = 0.0018215 k( 378) = ( 0.1966122 -0.1972156 0.2727021), wk = 0.0018215 k( 379) = ( 0.2020736 -0.2026938 0.2802771), wk = 0.0018215 k( 380) = ( 0.2075351 -0.2081720 0.2878522), wk = 0.0018215 k( 381) = ( 0.2129966 -0.2136502 0.2954272), wk = 0.0018215 k( 382) = ( 0.2184580 -0.2191285 0.3030023), wk = 0.0018215 k( 383) = ( 0.2239194 -0.2246067 0.3105774), wk = 0.0018215 k( 384) = ( 0.2293809 -0.2300849 0.3181524), wk = 0.0018215 k( 385) = ( 0.2348424 -0.2355631 0.3257275), wk = 0.0018215 k( 386) = ( 0.2403038 -0.2410413 0.3333025), wk = 0.0018215 k( 387) = ( 0.2457652 -0.2465195 0.3408776), wk = 0.0018215 k( 388) = ( 0.2512267 -0.2519977 0.3484527), wk = 0.0018215 k( 389) = ( 0.2566882 -0.2574759 0.3560277), wk = 0.0018215 k( 390) = ( 0.2621496 -0.2629541 0.3636028), wk = 0.0018215 k( 391) = ( 0.2676111 -0.2684324 0.3711778), wk = 0.0018215 k( 392) = ( 0.2730725 -0.2739106 0.3787529), wk = 0.0018215 k( 393) = ( 0.2785339 -0.2793888 0.3863279), wk = 0.0018215 k( 394) = ( 0.2839954 -0.2848670 0.3939030), wk = 0.0018215 k( 395) = ( 0.2894568 -0.2903452 0.4014781), wk = 0.0018215 k( 396) = ( 0.2949183 -0.2958234 0.4090531), wk = 0.0018215 k( 397) = ( 0.3003798 -0.3013016 0.4166282), wk = 0.0018215 k( 398) = ( 0.3058412 -0.3067798 0.4242032), wk = 0.0018215 k( 399) = ( 0.3113027 -0.3122580 0.4317783), wk = 0.0018215 k( 400) = ( 0.3167641 -0.3177363 0.4393533), wk = 0.0018215 k( 401) = ( 0.3222256 -0.3232145 0.4469284), wk = 0.0018215 k( 402) = ( 0.3276870 -0.3286927 0.4545035), wk = 0.0018215 k( 403) = ( 0.3331484 -0.3341709 0.4620785), wk = 0.0018215 k( 404) = ( 0.3386099 -0.3396491 0.4696536), wk = 0.0018215 k( 405) = ( 0.3440713 -0.3451273 0.4772286), wk = 0.0018215 k( 406) = ( 0.3495328 -0.3506055 0.4848037), wk = 0.0018215 k( 407) = ( 0.3549943 -0.3560837 0.4923787), wk = 0.0018215 k( 408) = ( 0.3604557 -0.3615620 0.4999538), wk = 0.0018215 k( 409) = ( 0.3659172 -0.3670402 0.5075289), wk = 0.0018215 k( 410) = ( 0.3713786 -0.3725184 0.5151039), wk = 0.0018215 k( 411) = ( 0.3768400 -0.3779966 0.5226790), wk = 0.0018215 k( 412) = ( 0.3768400 -0.3779966 0.5226790), wk = 0.0018215 k( 413) = ( 0.3799190 -0.3685850 0.5182808), wk = 0.0018215 k( 414) = ( 0.3829980 -0.3591734 0.5138826), wk = 0.0018215 k( 415) = ( 0.3860770 -0.3497618 0.5094844), wk = 0.0018215 k( 416) = ( 0.3891560 -0.3403501 0.5050862), wk = 0.0018215 k( 417) = ( 0.3922350 -0.3309385 0.5006880), wk = 0.0018215 k( 418) = ( 0.3953140 -0.3215269 0.4962898), wk = 0.0018215 k( 419) = ( 0.3983930 -0.3121153 0.4918916), wk = 0.0018215 k( 420) = ( 0.4014720 -0.3027037 0.4874934), wk = 0.0018215 k( 421) = ( 0.4045510 -0.2932921 0.4830952), wk = 0.0018215 k( 422) = ( 0.4076300 -0.2838805 0.4786970), wk = 0.0018215 k( 423) = ( 0.4107090 -0.2744689 0.4742988), wk = 0.0018215 k( 424) = ( 0.4137880 -0.2650573 0.4699007), wk = 0.0018215 k( 425) = ( 0.4168670 -0.2556457 0.4655025), wk = 0.0018215 k( 426) = ( 0.4199460 -0.2462340 0.4611043), wk = 0.0018215 k( 427) = ( 0.4230250 -0.2368224 0.4567061), wk = 0.0018215 k( 428) = ( 0.4261040 -0.2274108 0.4523079), wk = 0.0018215 k( 429) = ( 0.4291830 -0.2179992 0.4479097), wk = 0.0018215 k( 430) = ( 0.4322620 -0.2085876 0.4435115), wk = 0.0018215 k( 431) = ( 0.4353410 -0.1991760 0.4391133), wk = 0.0018215 k( 432) = ( 0.4384200 -0.1897644 0.4347151), wk = 0.0018215 k( 433) = ( 0.4414990 -0.1803528 0.4303169), wk = 0.0018215 k( 434) = ( 0.4445780 -0.1709412 0.4259187), wk = 0.0018215 k( 435) = ( 0.4476570 -0.1615295 0.4215205), wk = 0.0018215 k( 436) = ( 0.4507360 -0.1521179 0.4171223), wk = 0.0018215 k( 437) = ( 0.4538150 -0.1427063 0.4127241), wk = 0.0018215 k( 438) = ( 0.4568940 -0.1332947 0.4083259), wk = 0.0018215 k( 439) = ( 0.4599730 -0.1238831 0.4039277), wk = 0.0018215 k( 440) = ( 0.4630520 -0.1144715 0.3995295), wk = 0.0018215 k( 441) = ( 0.4661310 -0.1050599 0.3951313), wk = 0.0018215 k( 442) = ( 0.4692100 -0.0956483 0.3907332), wk = 0.0018215 k( 443) = ( 0.4722890 -0.0862367 0.3863350), wk = 0.0018215 k( 444) = ( 0.4753680 -0.0768251 0.3819368), wk = 0.0018215 k( 445) = ( 0.4784470 -0.0674134 0.3775386), wk = 0.0018215 k( 446) = ( 0.4815260 -0.0580018 0.3731404), wk = 0.0018215 k( 447) = ( 0.4846050 -0.0485902 0.3687422), wk = 0.0018215 k( 448) = ( 0.4876840 -0.0391786 0.3643440), wk = 0.0018215 k( 449) = ( 0.4907630 -0.0297670 0.3599458), wk = 0.0018215 k( 450) = ( 0.4938420 -0.0203554 0.3555476), wk = 0.0018215 k( 451) = ( 0.4969210 -0.0109438 0.3511494), wk = 0.0018215 k( 452) = ( 0.5000000 -0.0015322 0.3467512), wk = 0.0018215 k( 453) = ( 0.5000000 -0.0015322 0.3467512), wk = 0.0018215 k( 454) = ( 0.4946809 0.0038033 0.3544448), wk = 0.0018215 k( 455) = ( 0.4893617 0.0091388 0.3621383), wk = 0.0018215 k( 456) = ( 0.4840426 0.0144743 0.3698319), wk = 0.0018215 k( 457) = ( 0.4787234 0.0198097 0.3775254), wk = 0.0018215 k( 458) = ( 0.4734043 0.0251452 0.3852190), wk = 0.0018215 k( 459) = ( 0.4680851 0.0304807 0.3929125), wk = 0.0018215 k( 460) = ( 0.4627660 0.0358161 0.4006061), wk = 0.0018215 k( 461) = ( 0.4574468 0.0411516 0.4082996), wk = 0.0018215 k( 462) = ( 0.4521277 0.0464871 0.4159932), wk = 0.0018215 k( 463) = ( 0.4468085 0.0518226 0.4236868), wk = 0.0018215 k( 464) = ( 0.4414894 0.0571580 0.4313803), wk = 0.0018215 k( 465) = ( 0.4361702 0.0624935 0.4390739), wk = 0.0018215 k( 466) = ( 0.4308511 0.0678290 0.4467674), wk = 0.0018215 k( 467) = ( 0.4255319 0.0731645 0.4544610), wk = 0.0018215 k( 468) = ( 0.4202128 0.0784999 0.4621545), wk = 0.0018215 k( 469) = ( 0.4148936 0.0838354 0.4698481), wk = 0.0018215 k( 470) = ( 0.4095745 0.0891709 0.4775416), wk = 0.0018215 k( 471) = ( 0.4042553 0.0945064 0.4852352), wk = 0.0018215 k( 472) = ( 0.3989362 0.0998418 0.4929287), wk = 0.0018215 k( 473) = ( 0.3936170 0.1051773 0.5006223), wk = 0.0018215 k( 474) = ( 0.3882979 0.1105128 0.5083159), wk = 0.0018215 k( 475) = ( 0.3829787 0.1158483 0.5160094), wk = 0.0018215 k( 476) = ( 0.3776596 0.1211837 0.5237030), wk = 0.0018215 k( 477) = ( 0.3723404 0.1265192 0.5313965), wk = 0.0018215 k( 478) = ( 0.3670213 0.1318547 0.5390901), wk = 0.0018215 k( 479) = ( 0.3617021 0.1371901 0.5467836), wk = 0.0018215 k( 480) = ( 0.3563830 0.1425256 0.5544772), wk = 0.0018215 k( 481) = ( 0.3510638 0.1478611 0.5621707), wk = 0.0018215 k( 482) = ( 0.3457447 0.1531966 0.5698643), wk = 0.0018215 k( 483) = ( 0.3404255 0.1585320 0.5775578), wk = 0.0018215 k( 484) = ( 0.3351064 0.1638675 0.5852514), wk = 0.0018215 k( 485) = ( 0.3297872 0.1692030 0.5929450), wk = 0.0018215 k( 486) = ( 0.3244681 0.1745385 0.6006385), wk = 0.0018215 k( 487) = ( 0.3191489 0.1798739 0.6083321), wk = 0.0018215 k( 488) = ( 0.3138298 0.1852094 0.6160256), wk = 0.0018215 k( 489) = ( 0.3085106 0.1905449 0.6237192), wk = 0.0018215 k( 490) = ( 0.3031915 0.1958804 0.6314127), wk = 0.0018215 k( 491) = ( 0.2978723 0.2012158 0.6391063), wk = 0.0018215 k( 492) = ( 0.2925532 0.2065513 0.6467998), wk = 0.0018215 k( 493) = ( 0.2872340 0.2118868 0.6544934), wk = 0.0018215 k( 494) = ( 0.2819149 0.2172223 0.6621869), wk = 0.0018215 k( 495) = ( 0.2765957 0.2225577 0.6698805), wk = 0.0018215 k( 496) = ( 0.2712766 0.2278932 0.6775740), wk = 0.0018215 k( 497) = ( 0.2659574 0.2332287 0.6852676), wk = 0.0018215 k( 498) = ( 0.2606383 0.2385641 0.6929612), wk = 0.0018215 k( 499) = ( 0.2553191 0.2438996 0.7006547), wk = 0.0018215 k( 500) = ( 0.2500000 0.2492351 0.7083483), wk = 0.0018215 k( 501) = ( 0.2484725 -0.2492351 0.7083483), wk = 0.0018215 k( 502) = ( 0.2538212 -0.2546002 0.7006121), wk = 0.0018215 k( 503) = ( 0.2591698 -0.2599652 0.6928758), wk = 0.0018215 k( 504) = ( 0.2645185 -0.2653303 0.6851396), wk = 0.0018215 k( 505) = ( 0.2698671 -0.2706953 0.6774034), wk = 0.0018215 k( 506) = ( 0.2752158 -0.2760604 0.6696672), wk = 0.0018215 k( 507) = ( 0.2805644 -0.2814255 0.6619309), wk = 0.0018215 k( 508) = ( 0.2859131 -0.2867905 0.6541947), wk = 0.0018215 k( 509) = ( 0.2912617 -0.2921556 0.6464585), wk = 0.0018215 k( 510) = ( 0.2966103 -0.2975206 0.6387223), wk = 0.0018215 k( 511) = ( 0.3019590 -0.3028857 0.6309861), wk = 0.0018215 k( 512) = ( 0.3073076 -0.3082508 0.6232499), wk = 0.0018215 k( 513) = ( 0.3126563 -0.3136158 0.6155136), wk = 0.0018215 k( 514) = ( 0.3180049 -0.3189809 0.6077774), wk = 0.0018215 k( 515) = ( 0.3233536 -0.3243460 0.6000412), wk = 0.0018215 k( 516) = ( 0.3287022 -0.3297110 0.5923050), wk = 0.0018215 k( 517) = ( 0.3340509 -0.3350761 0.5845687), wk = 0.0018215 k( 518) = ( 0.3393995 -0.3404411 0.5768325), wk = 0.0018215 k( 519) = ( 0.3447482 -0.3458062 0.5690963), wk = 0.0018215 k( 520) = ( 0.3500968 -0.3511713 0.5613601), wk = 0.0018215 k( 521) = ( 0.3554455 -0.3565363 0.5536239), wk = 0.0018215 k( 522) = ( 0.3607941 -0.3619014 0.5458876), wk = 0.0018215 k( 523) = ( 0.3661428 -0.3672665 0.5381514), wk = 0.0018215 k( 524) = ( 0.3714914 -0.3726315 0.5304152), wk = 0.0018215 k( 525) = ( 0.3768400 -0.3779966 0.5226790), wk = 0.0018215 k( 526) = ( 0.6231600 0.3749322 0.1708234), wk = 0.0018215 k( 527) = ( 0.6178052 0.3803035 0.1633963), wk = 0.0018215 k( 528) = ( 0.6124504 0.3856747 0.1559692), wk = 0.0018215 k( 529) = ( 0.6070956 0.3910459 0.1485421), wk = 0.0018215 k( 530) = ( 0.6017408 0.3964171 0.1411150), wk = 0.0018215 k( 531) = ( 0.5963861 0.4017883 0.1336879), wk = 0.0018215 k( 532) = ( 0.5910313 0.4071595 0.1262608), wk = 0.0018215 k( 533) = ( 0.5856765 0.4125307 0.1188337), wk = 0.0018215 k( 534) = ( 0.5803217 0.4179020 0.1114066), wk = 0.0018215 k( 535) = ( 0.5749669 0.4232732 0.1039795), wk = 0.0018215 k( 536) = ( 0.5696121 0.4286444 0.0965524), wk = 0.0018215 k( 537) = ( 0.5642574 0.4340156 0.0891253), wk = 0.0018215 k( 538) = ( 0.5589026 0.4393868 0.0816982), wk = 0.0018215 k( 539) = ( 0.5535478 0.4447580 0.0742711), wk = 0.0018215 k( 540) = ( 0.5481930 0.4501293 0.0668440), wk = 0.0018215 k( 541) = ( 0.5428382 0.4555005 0.0594168), wk = 0.0018215 k( 542) = ( 0.5374835 0.4608717 0.0519897), wk = 0.0018215 k( 543) = ( 0.5321287 0.4662429 0.0445626), wk = 0.0018215 k( 544) = ( 0.5267739 0.4716141 0.0371355), wk = 0.0018215 k( 545) = ( 0.5214191 0.4769853 0.0297084), wk = 0.0018215 k( 546) = ( 0.5160643 0.4823565 0.0222813), wk = 0.0018215 k( 547) = ( 0.5107096 0.4877278 0.0148542), wk = 0.0018215 k( 548) = ( 0.5053548 0.4930990 0.0074271), wk = 0.0018215 k( 549) = ( 0.5000000 0.4984702 0.0000000), wk = 0.0018215 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018215 k( 2) = ( -0.0053860 0.0053860 0.0053860), wk = 0.0018215 k( 3) = ( -0.0107720 0.0107720 0.0107720), wk = 0.0018215 k( 4) = ( -0.0161579 0.0161579 0.0161579), wk = 0.0018215 k( 5) = ( -0.0215439 0.0215439 0.0215439), wk = 0.0018215 k( 6) = ( -0.0269299 0.0269299 0.0269299), wk = 0.0018215 k( 7) = ( -0.0323159 0.0323159 0.0323159), wk = 0.0018215 k( 8) = ( -0.0377018 0.0377018 0.0377018), wk = 0.0018215 k( 9) = ( -0.0430878 0.0430878 0.0430878), wk = 0.0018215 k( 10) = ( -0.0484738 0.0484738 0.0484738), wk = 0.0018215 k( 11) = ( -0.0538598 0.0538598 0.0538598), wk = 0.0018215 k( 12) = ( -0.0592458 0.0592458 0.0592458), wk = 0.0018215 k( 13) = ( -0.0646317 0.0646317 0.0646317), wk = 0.0018215 k( 14) = ( -0.0700177 0.0700177 0.0700177), wk = 0.0018215 k( 15) = ( -0.0754037 0.0754037 0.0754037), wk = 0.0018215 k( 16) = ( -0.0807897 0.0807897 0.0807897), wk = 0.0018215 k( 17) = ( -0.0861756 0.0861756 0.0861756), wk = 0.0018215 k( 18) = ( -0.0915616 0.0915616 0.0915616), wk = 0.0018215 k( 19) = ( -0.0969476 0.0969476 0.0969476), wk = 0.0018215 k( 20) = ( -0.1023336 0.1023336 0.1023336), wk = 0.0018215 k( 21) = ( -0.1077196 0.1077196 0.1077196), wk = 0.0018215 k( 22) = ( -0.1131055 0.1131055 0.1131055), wk = 0.0018215 k( 23) = ( -0.1184915 0.1184915 0.1184915), wk = 0.0018215 k( 24) = ( -0.1238775 0.1238775 0.1238775), wk = 0.0018215 k( 25) = ( -0.1292635 0.1292635 0.1292635), wk = 0.0018215 k( 26) = ( -0.1346494 0.1346494 0.1346494), wk = 0.0018215 k( 27) = ( -0.1400354 0.1400354 0.1400354), wk = 0.0018215 k( 28) = ( -0.1454214 0.1454214 0.1454214), wk = 0.0018215 k( 29) = ( -0.1508074 0.1508074 0.1508074), wk = 0.0018215 k( 30) = ( -0.1561934 0.1561934 0.1561934), wk = 0.0018215 k( 31) = ( -0.1615793 0.1615793 0.1615793), wk = 0.0018215 k( 32) = ( -0.1669653 0.1669653 0.1669653), wk = 0.0018215 k( 33) = ( -0.1723513 0.1723513 0.1723513), wk = 0.0018215 k( 34) = ( -0.1777373 0.1777373 0.1777373), wk = 0.0018215 k( 35) = ( -0.1831232 0.1831232 0.1831232), wk = 0.0018215 k( 36) = ( -0.1885092 0.1885092 0.1885092), wk = 0.0018215 k( 37) = ( -0.1938952 0.1938952 0.1938952), wk = 0.0018215 k( 38) = ( -0.1992812 0.1992812 0.1992812), wk = 0.0018215 k( 39) = ( -0.2046672 0.2046672 0.2046672), wk = 0.0018215 k( 40) = ( -0.2100531 0.2100531 0.2100531), wk = 0.0018215 k( 41) = ( -0.2154391 0.2154391 0.2154391), wk = 0.0018215 k( 42) = ( -0.2208251 0.2208251 0.2208251), wk = 0.0018215 k( 43) = ( -0.2262111 0.2262111 0.2262111), wk = 0.0018215 k( 44) = ( -0.2315970 0.2315970 0.2315970), wk = 0.0018215 k( 45) = ( -0.2369830 0.2369830 0.2369830), wk = 0.0018215 k( 46) = ( -0.2423690 0.2423690 0.2423690), wk = 0.0018215 k( 47) = ( -0.2477550 0.2477550 0.2477550), wk = 0.0018215 k( 48) = ( -0.2531410 0.2531410 0.2531410), wk = 0.0018215 k( 49) = ( -0.2585269 0.2585269 0.2585269), wk = 0.0018215 k( 50) = ( -0.2639129 0.2639129 0.2639129), wk = 0.0018215 k( 51) = ( -0.2692989 0.2692989 0.2692989), wk = 0.0018215 k( 52) = ( -0.2746849 0.2746849 0.2746849), wk = 0.0018215 k( 53) = ( -0.2800708 0.2800708 0.2800708), wk = 0.0018215 k( 54) = ( -0.2854568 0.2854568 0.2854568), wk = 0.0018215 k( 55) = ( -0.2908428 0.2908428 0.2908428), wk = 0.0018215 k( 56) = ( -0.2962288 0.2962288 0.2962288), wk = 0.0018215 k( 57) = ( -0.3016148 0.3016148 0.3016148), wk = 0.0018215 k( 58) = ( -0.3070007 0.3070007 0.3070007), wk = 0.0018215 k( 59) = ( -0.3123867 0.3123867 0.3123867), wk = 0.0018215 k( 60) = ( -0.3177727 0.3177727 0.3177727), wk = 0.0018215 k( 61) = ( -0.3231587 0.3231587 0.3231587), wk = 0.0018215 k( 62) = ( -0.3285446 0.3285446 0.3285446), wk = 0.0018215 k( 63) = ( -0.3339306 0.3339306 0.3339306), wk = 0.0018215 k( 64) = ( -0.3393166 0.3393166 0.3393166), wk = 0.0018215 k( 65) = ( -0.3447026 0.3447026 0.3447026), wk = 0.0018215 k( 66) = ( -0.3500886 0.3500886 0.3500886), wk = 0.0018215 k( 67) = ( -0.3554745 0.3554745 0.3554745), wk = 0.0018215 k( 68) = ( -0.3608605 0.3608605 0.3608605), wk = 0.0018215 k( 69) = ( -0.3662465 0.3662465 0.3662465), wk = 0.0018215 k( 70) = ( -0.3716325 0.3716325 0.3716325), wk = 0.0018215 k( 71) = ( -0.3716325 0.3716325 0.3716325), wk = 0.0018215 k( 72) = ( -0.3662777 0.3662777 0.3769872), wk = 0.0018215 k( 73) = ( -0.3609229 0.3609229 0.3823420), wk = 0.0018215 k( 74) = ( -0.3555681 0.3555681 0.3876968), wk = 0.0018215 k( 75) = ( -0.3502133 0.3502134 0.3930516), wk = 0.0018215 k( 76) = ( -0.3448586 0.3448586 0.3984064), wk = 0.0018215 k( 77) = ( -0.3395038 0.3395038 0.4037612), wk = 0.0018215 k( 78) = ( -0.3341490 0.3341490 0.4091159), wk = 0.0018215 k( 79) = ( -0.3287942 0.3287942 0.4144707), wk = 0.0018215 k( 80) = ( -0.3234394 0.3234394 0.4198255), wk = 0.0018215 k( 81) = ( -0.3180847 0.3180847 0.4251803), wk = 0.0018215 k( 82) = ( -0.3127299 0.3127299 0.4305350), wk = 0.0018215 k( 83) = ( -0.3073751 0.3073751 0.4358898), wk = 0.0018215 k( 84) = ( -0.3020203 0.3020203 0.4412446), wk = 0.0018215 k( 85) = ( -0.2966655 0.2966655 0.4465994), wk = 0.0018215 k( 86) = ( -0.2913108 0.2913108 0.4519542), wk = 0.0018215 k( 87) = ( -0.2859560 0.2859560 0.4573089), wk = 0.0018215 k( 88) = ( -0.2806012 0.2806012 0.4626637), wk = 0.0018215 k( 89) = ( -0.2752464 0.2752464 0.4680185), wk = 0.0018215 k( 90) = ( -0.2698916 0.2698916 0.4733733), wk = 0.0018215 k( 91) = ( -0.2645369 0.2645369 0.4787281), wk = 0.0018215 k( 92) = ( -0.2591821 0.2591821 0.4840829), wk = 0.0018215 k( 93) = ( -0.2538273 0.2538273 0.4894376), wk = 0.0018215 k( 94) = ( -0.2484725 0.2484725 0.4947924), wk = 0.0018215 k( 95) = ( -0.2484725 0.2484725 0.4947924), wk = 0.0018215 k( 96) = ( -0.2409430 0.2409431 0.4949502), wk = 0.0018215 k( 97) = ( -0.2334136 0.2334136 0.4951080), wk = 0.0018215 k( 98) = ( -0.2258841 0.2258841 0.4952658), wk = 0.0018215 k( 99) = ( -0.2183546 0.2183546 0.4954236), wk = 0.0018215 k( 100) = ( -0.2108252 0.2108252 0.4955814), wk = 0.0018215 k( 101) = ( -0.2032957 0.2032957 0.4957393), wk = 0.0018215 k( 102) = ( -0.1957662 0.1957662 0.4958971), wk = 0.0018215 k( 103) = ( -0.1882368 0.1882368 0.4960549), wk = 0.0018215 k( 104) = ( -0.1807073 0.1807073 0.4962127), wk = 0.0018215 k( 105) = ( -0.1731778 0.1731778 0.4963705), wk = 0.0018215 k( 106) = ( -0.1656483 0.1656484 0.4965283), wk = 0.0018215 k( 107) = ( -0.1581189 0.1581189 0.4966861), wk = 0.0018215 k( 108) = ( -0.1505894 0.1505894 0.4968439), wk = 0.0018215 k( 109) = ( -0.1430599 0.1430599 0.4970017), wk = 0.0018215 k( 110) = ( -0.1355305 0.1355305 0.4971595), wk = 0.0018215 k( 111) = ( -0.1280010 0.1280010 0.4973173), wk = 0.0018215 k( 112) = ( -0.1204715 0.1204715 0.4974751), wk = 0.0018215 k( 113) = ( -0.1129421 0.1129421 0.4976329), wk = 0.0018215 k( 114) = ( -0.1054126 0.1054126 0.4977907), wk = 0.0018215 k( 115) = ( -0.0978831 0.0978831 0.4979485), wk = 0.0018215 k( 116) = ( -0.0903536 0.0903536 0.4981063), wk = 0.0018215 k( 117) = ( -0.0828242 0.0828242 0.4982641), wk = 0.0018215 k( 118) = ( -0.0752947 0.0752947 0.4984219), wk = 0.0018215 k( 119) = ( -0.0677652 0.0677652 0.4985797), wk = 0.0018215 k( 120) = ( -0.0602358 0.0602358 0.4987376), wk = 0.0018215 k( 121) = ( -0.0527063 0.0527063 0.4988954), wk = 0.0018215 k( 122) = ( -0.0451768 0.0451768 0.4990532), wk = 0.0018215 k( 123) = ( -0.0376474 0.0376474 0.4992110), wk = 0.0018215 k( 124) = ( -0.0301179 0.0301179 0.4993688), wk = 0.0018215 k( 125) = ( -0.0225884 0.0225884 0.4995266), wk = 0.0018215 k( 126) = ( -0.0150589 0.0150589 0.4996844), wk = 0.0018215 k( 127) = ( -0.0075295 0.0075295 0.4998422), wk = 0.0018215 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018215 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018215 k( 130) = ( 0.0075758 0.0075758 0.4924242), wk = 0.0018215 k( 131) = ( 0.0151515 0.0151515 0.4848485), wk = 0.0018215 k( 132) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0018215 k( 133) = ( 0.0303030 0.0303030 0.4696970), wk = 0.0018215 k( 134) = ( 0.0378788 0.0378788 0.4621212), wk = 0.0018215 k( 135) = ( 0.0454546 0.0454546 0.4545455), wk = 0.0018215 k( 136) = ( 0.0530303 0.0530303 0.4469697), wk = 0.0018215 k( 137) = ( 0.0606061 0.0606061 0.4393939), wk = 0.0018215 k( 138) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0018215 k( 139) = ( 0.0757576 0.0757576 0.4242424), wk = 0.0018215 k( 140) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0018215 k( 141) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0018215 k( 142) = ( 0.0984848 0.0984849 0.4015151), wk = 0.0018215 k( 143) = ( 0.1060606 0.1060606 0.3939394), wk = 0.0018215 k( 144) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0018215 k( 145) = ( 0.1212121 0.1212121 0.3787879), wk = 0.0018215 k( 146) = ( 0.1287879 0.1287879 0.3712121), wk = 0.0018215 k( 147) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0018215 k( 148) = ( 0.1439394 0.1439394 0.3560606), wk = 0.0018215 k( 149) = ( 0.1515151 0.1515152 0.3484848), wk = 0.0018215 k( 150) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0018215 k( 151) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0018215 k( 152) = ( 0.1742424 0.1742424 0.3257576), wk = 0.0018215 k( 153) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0018215 k( 154) = ( 0.1893939 0.1893939 0.3106061), wk = 0.0018215 k( 155) = ( 0.1969697 0.1969697 0.3030303), wk = 0.0018215 k( 156) = ( 0.2045454 0.2045455 0.2954545), wk = 0.0018215 k( 157) = ( 0.2121212 0.2121212 0.2878788), wk = 0.0018215 k( 158) = ( 0.2196970 0.2196970 0.2803030), wk = 0.0018215 k( 159) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0018215 k( 160) = ( 0.2348485 0.2348485 0.2651515), wk = 0.0018215 k( 161) = ( 0.2424242 0.2424242 0.2575758), wk = 0.0018215 k( 162) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018215 k( 163) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018215 k( 164) = ( 0.2445652 0.2554348 0.2445652), wk = 0.0018215 k( 165) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0018215 k( 166) = ( 0.2336957 0.2663044 0.2336956), wk = 0.0018215 k( 167) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0018215 k( 168) = ( 0.2228261 0.2771739 0.2228261), wk = 0.0018215 k( 169) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0018215 k( 170) = ( 0.2119565 0.2880435 0.2119565), wk = 0.0018215 k( 171) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0018215 k( 172) = ( 0.2010870 0.2989130 0.2010870), wk = 0.0018215 k( 173) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0018215 k( 174) = ( 0.1902174 0.3097826 0.1902174), wk = 0.0018215 k( 175) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0018215 k( 176) = ( 0.1793478 0.3206522 0.1793478), wk = 0.0018215 k( 177) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0018215 k( 178) = ( 0.1684783 0.3315217 0.1684783), wk = 0.0018215 k( 179) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0018215 k( 180) = ( 0.1576087 0.3423913 0.1576087), wk = 0.0018215 k( 181) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0018215 k( 182) = ( 0.1467391 0.3532609 0.1467391), wk = 0.0018215 k( 183) = ( 0.1413043 0.3586957 0.1413043), wk = 0.0018215 k( 184) = ( 0.1358696 0.3641304 0.1358696), wk = 0.0018215 k( 185) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0018215 k( 186) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0018215 k( 187) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0018215 k( 188) = ( 0.1141304 0.3858696 0.1141304), wk = 0.0018215 k( 189) = ( 0.1086957 0.3913044 0.1086956), wk = 0.0018215 k( 190) = ( 0.1032609 0.3967391 0.1032609), wk = 0.0018215 k( 191) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0018215 k( 192) = ( 0.0923913 0.4076087 0.0923913), wk = 0.0018215 k( 193) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0018215 k( 194) = ( 0.0815217 0.4184783 0.0815217), wk = 0.0018215 k( 195) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0018215 k( 196) = ( 0.0706522 0.4293478 0.0706522), wk = 0.0018215 k( 197) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0018215 k( 198) = ( 0.0597826 0.4402174 0.0597826), wk = 0.0018215 k( 199) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0018215 k( 200) = ( 0.0489130 0.4510870 0.0489130), wk = 0.0018215 k( 201) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0018215 k( 202) = ( 0.0380435 0.4619565 0.0380435), wk = 0.0018215 k( 203) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0018215 k( 204) = ( 0.0271739 0.4728261 0.0271739), wk = 0.0018215 k( 205) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0018215 k( 206) = ( 0.0163043 0.4836957 0.0163043), wk = 0.0018215 k( 207) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0018215 k( 208) = ( 0.0054348 0.4945652 0.0054348), wk = 0.0018215 k( 209) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018215 k( 210) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018215 k( 211) = ( 0.0092908 0.5032092 -0.0092908), wk = 0.0018215 k( 212) = ( 0.0185816 0.5064184 -0.0185816), wk = 0.0018215 k( 213) = ( 0.0278724 0.5096276 -0.0278724), wk = 0.0018215 k( 214) = ( 0.0371633 0.5128368 -0.0371632), wk = 0.0018215 k( 215) = ( 0.0464541 0.5160459 -0.0464541), wk = 0.0018215 k( 216) = ( 0.0557449 0.5192551 -0.0557449), wk = 0.0018215 k( 217) = ( 0.0650357 0.5224643 -0.0650357), wk = 0.0018215 k( 218) = ( 0.0743265 0.5256735 -0.0743265), wk = 0.0018215 k( 219) = ( 0.0836173 0.5288827 -0.0836173), wk = 0.0018215 k( 220) = ( 0.0929081 0.5320919 -0.0929081), wk = 0.0018215 k( 221) = ( 0.1021989 0.5353011 -0.1021989), wk = 0.0018215 k( 222) = ( 0.1114897 0.5385103 -0.1114897), wk = 0.0018215 k( 223) = ( 0.1207806 0.5417194 -0.1207806), wk = 0.0018215 k( 224) = ( 0.1300714 0.5449286 -0.1300714), wk = 0.0018215 k( 225) = ( 0.1393622 0.5481378 -0.1393622), wk = 0.0018215 k( 226) = ( 0.1486530 0.5513470 -0.1486530), wk = 0.0018215 k( 227) = ( 0.1579438 0.5545562 -0.1579438), wk = 0.0018215 k( 228) = ( 0.1672346 0.5577654 -0.1672346), wk = 0.0018215 k( 229) = ( 0.1765254 0.5609746 -0.1765254), wk = 0.0018215 k( 230) = ( 0.1858162 0.5641838 -0.1858162), wk = 0.0018215 k( 231) = ( 0.1951071 0.5673930 -0.1951071), wk = 0.0018215 k( 232) = ( 0.2043979 0.5706021 -0.2043979), wk = 0.0018215 k( 233) = ( 0.2136887 0.5738113 -0.2136887), wk = 0.0018215 k( 234) = ( 0.2229795 0.5770205 -0.2229795), wk = 0.0018215 k( 235) = ( 0.2322703 0.5802297 -0.2322703), wk = 0.0018215 k( 236) = ( 0.2415611 0.5834389 -0.2415611), wk = 0.0018215 k( 237) = ( 0.2508519 0.5866481 -0.2508519), wk = 0.0018215 k( 238) = ( 0.2601427 0.5898573 -0.2601427), wk = 0.0018215 k( 239) = ( 0.2694335 0.5930665 -0.2694335), wk = 0.0018215 k( 240) = ( 0.2787244 0.5962757 -0.2787244), wk = 0.0018215 k( 241) = ( 0.2880152 0.5994848 -0.2880152), wk = 0.0018215 k( 242) = ( 0.2973060 0.6026940 -0.2973060), wk = 0.0018215 k( 243) = ( 0.3065968 0.6059032 -0.3065968), wk = 0.0018215 k( 244) = ( 0.3158876 0.6091124 -0.3158876), wk = 0.0018215 k( 245) = ( 0.3251784 0.6123216 -0.3251784), wk = 0.0018215 k( 246) = ( 0.3344692 0.6155308 -0.3344692), wk = 0.0018215 k( 247) = ( 0.3437600 0.6187400 -0.3437600), wk = 0.0018215 k( 248) = ( 0.3530508 0.6219492 -0.3530508), wk = 0.0018215 k( 249) = ( 0.3623417 0.6251583 -0.3623417), wk = 0.0018215 k( 250) = ( 0.3716325 0.6283675 -0.3716325), wk = 0.0018215 k( 251) = ( 0.3716325 0.6283675 -0.3716325), wk = 0.0018215 k( 252) = ( 0.3769811 0.6230189 -0.3769811), wk = 0.0018215 k( 253) = ( 0.3823298 0.6176702 -0.3823298), wk = 0.0018215 k( 254) = ( 0.3876784 0.6123216 -0.3876784), wk = 0.0018215 k( 255) = ( 0.3930271 0.6069729 -0.3930271), wk = 0.0018215 k( 256) = ( 0.3983757 0.6016243 -0.3983757), wk = 0.0018215 k( 257) = ( 0.4037244 0.5962757 -0.4037244), wk = 0.0018215 k( 258) = ( 0.4090730 0.5909270 -0.4090730), wk = 0.0018215 k( 259) = ( 0.4144216 0.5855784 -0.4144216), wk = 0.0018215 k( 260) = ( 0.4197703 0.5802297 -0.4197703), wk = 0.0018215 k( 261) = ( 0.4251189 0.5748811 -0.4251189), wk = 0.0018215 k( 262) = ( 0.4304676 0.5695324 -0.4304676), wk = 0.0018215 k( 263) = ( 0.4358162 0.5641838 -0.4358162), wk = 0.0018215 k( 264) = ( 0.4411649 0.5588351 -0.4411649), wk = 0.0018215 k( 265) = ( 0.4465135 0.5534865 -0.4465135), wk = 0.0018215 k( 266) = ( 0.4518622 0.5481378 -0.4518622), wk = 0.0018215 k( 267) = ( 0.4572108 0.5427892 -0.4572108), wk = 0.0018215 k( 268) = ( 0.4625595 0.5374405 -0.4625595), wk = 0.0018215 k( 269) = ( 0.4679081 0.5320919 -0.4679081), wk = 0.0018215 k( 270) = ( 0.4732568 0.5267432 -0.4732568), wk = 0.0018215 k( 271) = ( 0.4786054 0.5213946 -0.4786054), wk = 0.0018215 k( 272) = ( 0.4839541 0.5160459 -0.4839541), wk = 0.0018215 k( 273) = ( 0.4893027 0.5106973 -0.4893027), wk = 0.0018215 k( 274) = ( 0.4946513 0.5053487 -0.4946514), wk = 0.0018215 k( 275) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0018215 k( 276) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0018215 k( 277) = ( 0.4923077 0.4923077 -0.4923077), wk = 0.0018215 k( 278) = ( 0.4846154 0.4846154 -0.4846154), wk = 0.0018215 k( 279) = ( 0.4769231 0.4769231 -0.4769231), wk = 0.0018215 k( 280) = ( 0.4692308 0.4692308 -0.4692308), wk = 0.0018215 k( 281) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0018215 k( 282) = ( 0.4538462 0.4538462 -0.4538462), wk = 0.0018215 k( 283) = ( 0.4461539 0.4461539 -0.4461539), wk = 0.0018215 k( 284) = ( 0.4384615 0.4384615 -0.4384615), wk = 0.0018215 k( 285) = ( 0.4307692 0.4307692 -0.4307692), wk = 0.0018215 k( 286) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0018215 k( 287) = ( 0.4153846 0.4153846 -0.4153846), wk = 0.0018215 k( 288) = ( 0.4076923 0.4076923 -0.4076923), wk = 0.0018215 k( 289) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0018215 k( 290) = ( 0.3923077 0.3923077 -0.3923077), wk = 0.0018215 k( 291) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0018215 k( 292) = ( 0.3769231 0.3769231 -0.3769231), wk = 0.0018215 k( 293) = ( 0.3692308 0.3692308 -0.3692308), wk = 0.0018215 k( 294) = ( 0.3615385 0.3615385 -0.3615385), wk = 0.0018215 k( 295) = ( 0.3538462 0.3538462 -0.3538461), wk = 0.0018215 k( 296) = ( 0.3461538 0.3461539 -0.3461539), wk = 0.0018215 k( 297) = ( 0.3384615 0.3384615 -0.3384615), wk = 0.0018215 k( 298) = ( 0.3307692 0.3307692 -0.3307692), wk = 0.0018215 k( 299) = ( 0.3230769 0.3230769 -0.3230769), wk = 0.0018215 k( 300) = ( 0.3153846 0.3153846 -0.3153846), wk = 0.0018215 k( 301) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0018215 k( 302) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0018215 k( 303) = ( 0.2923077 0.2923077 -0.2923077), wk = 0.0018215 k( 304) = ( 0.2846154 0.2846154 -0.2846154), wk = 0.0018215 k( 305) = ( 0.2769231 0.2769231 -0.2769231), wk = 0.0018215 k( 306) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0018215 k( 307) = ( 0.2615385 0.2615385 -0.2615385), wk = 0.0018215 k( 308) = ( 0.2538461 0.2538462 -0.2538462), wk = 0.0018215 k( 309) = ( 0.2461539 0.2461539 -0.2461539), wk = 0.0018215 k( 310) = ( 0.2384615 0.2384615 -0.2384615), wk = 0.0018215 k( 311) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0018215 k( 312) = ( 0.2230769 0.2230769 -0.2230769), wk = 0.0018215 k( 313) = ( 0.2153846 0.2153846 -0.2153846), wk = 0.0018215 k( 314) = ( 0.2076923 0.2076923 -0.2076923), wk = 0.0018215 k( 315) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0018215 k( 316) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0018215 k( 317) = ( 0.1846154 0.1846154 -0.1846154), wk = 0.0018215 k( 318) = ( 0.1769231 0.1769231 -0.1769231), wk = 0.0018215 k( 319) = ( 0.1692308 0.1692308 -0.1692308), wk = 0.0018215 k( 320) = ( 0.1615385 0.1615385 -0.1615385), wk = 0.0018215 k( 321) = ( 0.1538461 0.1538462 -0.1538461), wk = 0.0018215 k( 322) = ( 0.1461539 0.1461539 -0.1461539), wk = 0.0018215 k( 323) = ( 0.1384615 0.1384615 -0.1384615), wk = 0.0018215 k( 324) = ( 0.1307692 0.1307692 -0.1307692), wk = 0.0018215 k( 325) = ( 0.1230769 0.1230769 -0.1230769), wk = 0.0018215 k( 326) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0018215 k( 327) = ( 0.1076923 0.1076923 -0.1076923), wk = 0.0018215 k( 328) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0018215 k( 329) = ( 0.0923077 0.0923077 -0.0923077), wk = 0.0018215 k( 330) = ( 0.0846154 0.0846154 -0.0846154), wk = 0.0018215 k( 331) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0018215 k( 332) = ( 0.0692308 0.0692308 -0.0692308), wk = 0.0018215 k( 333) = ( 0.0615385 0.0615385 -0.0615385), wk = 0.0018215 k( 334) = ( 0.0538462 0.0538462 -0.0538461), wk = 0.0018215 k( 335) = ( 0.0461539 0.0461539 -0.0461539), wk = 0.0018215 k( 336) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0018215 k( 337) = ( 0.0307692 0.0307692 -0.0307692), wk = 0.0018215 k( 338) = ( 0.0230769 0.0230769 -0.0230769), wk = 0.0018215 k( 339) = ( 0.0153846 0.0153846 -0.0153846), wk = 0.0018215 k( 340) = ( 0.0076923 0.0076923 -0.0076923), wk = 0.0018215 k( 341) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018215 k( 342) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018215 k( 343) = ( 0.0054614 -0.0054615 0.0054615), wk = 0.0018215 k( 344) = ( 0.0109229 -0.0109229 0.0109229), wk = 0.0018215 k( 345) = ( 0.0163843 -0.0163844 0.0163843), wk = 0.0018215 k( 346) = ( 0.0218458 -0.0218458 0.0218458), wk = 0.0018215 k( 347) = ( 0.0273073 -0.0273073 0.0273072), wk = 0.0018215 k( 348) = ( 0.0327687 -0.0327687 0.0327687), wk = 0.0018215 k( 349) = ( 0.0382301 -0.0382302 0.0382302), wk = 0.0018215 k( 350) = ( 0.0436916 -0.0436916 0.0436916), wk = 0.0018215 k( 351) = ( 0.0491530 -0.0491530 0.0491531), wk = 0.0018215 k( 352) = ( 0.0546145 -0.0546145 0.0546145), wk = 0.0018215 k( 353) = ( 0.0600760 -0.0600760 0.0600760), wk = 0.0018215 k( 354) = ( 0.0655374 -0.0655374 0.0655374), wk = 0.0018215 k( 355) = ( 0.0709989 -0.0709989 0.0709989), wk = 0.0018215 k( 356) = ( 0.0764603 -0.0764603 0.0764603), wk = 0.0018215 k( 357) = ( 0.0819218 -0.0819218 0.0819218), wk = 0.0018215 k( 358) = ( 0.0873832 -0.0873832 0.0873832), wk = 0.0018215 k( 359) = ( 0.0928447 -0.0928447 0.0928447), wk = 0.0018215 k( 360) = ( 0.0983061 -0.0983061 0.0983061), wk = 0.0018215 k( 361) = ( 0.1037676 -0.1037676 0.1037676), wk = 0.0018215 k( 362) = ( 0.1092290 -0.1092290 0.1092290), wk = 0.0018215 k( 363) = ( 0.1146904 -0.1146905 0.1146904), wk = 0.0018215 k( 364) = ( 0.1201519 -0.1201519 0.1201519), wk = 0.0018215 k( 365) = ( 0.1256134 -0.1256134 0.1256134), wk = 0.0018215 k( 366) = ( 0.1310748 -0.1310748 0.1310748), wk = 0.0018215 k( 367) = ( 0.1365362 -0.1365363 0.1365363), wk = 0.0018215 k( 368) = ( 0.1419977 -0.1419977 0.1419977), wk = 0.0018215 k( 369) = ( 0.1474592 -0.1474592 0.1474592), wk = 0.0018215 k( 370) = ( 0.1529206 -0.1529206 0.1529206), wk = 0.0018215 k( 371) = ( 0.1583820 -0.1583820 0.1583821), wk = 0.0018215 k( 372) = ( 0.1638435 -0.1638435 0.1638435), wk = 0.0018215 k( 373) = ( 0.1693050 -0.1693050 0.1693050), wk = 0.0018215 k( 374) = ( 0.1747664 -0.1747664 0.1747664), wk = 0.0018215 k( 375) = ( 0.1802278 -0.1802279 0.1802279), wk = 0.0018215 k( 376) = ( 0.1856893 -0.1856893 0.1856893), wk = 0.0018215 k( 377) = ( 0.1911508 -0.1911508 0.1911508), wk = 0.0018215 k( 378) = ( 0.1966122 -0.1966122 0.1966122), wk = 0.0018215 k( 379) = ( 0.2020736 -0.2020737 0.2020736), wk = 0.0018215 k( 380) = ( 0.2075351 -0.2075351 0.2075351), wk = 0.0018215 k( 381) = ( 0.2129966 -0.2129966 0.2129966), wk = 0.0018215 k( 382) = ( 0.2184580 -0.2184580 0.2184580), wk = 0.0018215 k( 383) = ( 0.2239194 -0.2239195 0.2239195), wk = 0.0018215 k( 384) = ( 0.2293809 -0.2293809 0.2293809), wk = 0.0018215 k( 385) = ( 0.2348424 -0.2348424 0.2348424), wk = 0.0018215 k( 386) = ( 0.2403038 -0.2403038 0.2403038), wk = 0.0018215 k( 387) = ( 0.2457652 -0.2457652 0.2457653), wk = 0.0018215 k( 388) = ( 0.2512267 -0.2512267 0.2512267), wk = 0.0018215 k( 389) = ( 0.2566882 -0.2566882 0.2566882), wk = 0.0018215 k( 390) = ( 0.2621496 -0.2621496 0.2621496), wk = 0.0018215 k( 391) = ( 0.2676111 -0.2676111 0.2676111), wk = 0.0018215 k( 392) = ( 0.2730725 -0.2730725 0.2730725), wk = 0.0018215 k( 393) = ( 0.2785339 -0.2785340 0.2785340), wk = 0.0018215 k( 394) = ( 0.2839954 -0.2839954 0.2839954), wk = 0.0018215 k( 395) = ( 0.2894568 -0.2894569 0.2894569), wk = 0.0018215 k( 396) = ( 0.2949183 -0.2949183 0.2949183), wk = 0.0018215 k( 397) = ( 0.3003798 -0.3003798 0.3003798), wk = 0.0018215 k( 398) = ( 0.3058412 -0.3058412 0.3058412), wk = 0.0018215 k( 399) = ( 0.3113027 -0.3113027 0.3113027), wk = 0.0018215 k( 400) = ( 0.3167641 -0.3167641 0.3167641), wk = 0.0018215 k( 401) = ( 0.3222256 -0.3222256 0.3222256), wk = 0.0018215 k( 402) = ( 0.3276870 -0.3276870 0.3276870), wk = 0.0018215 k( 403) = ( 0.3331484 -0.3331485 0.3331485), wk = 0.0018215 k( 404) = ( 0.3386099 -0.3386099 0.3386099), wk = 0.0018215 k( 405) = ( 0.3440713 -0.3440714 0.3440714), wk = 0.0018215 k( 406) = ( 0.3495328 -0.3495328 0.3495328), wk = 0.0018215 k( 407) = ( 0.3549943 -0.3549943 0.3549943), wk = 0.0018215 k( 408) = ( 0.3604557 -0.3604557 0.3604557), wk = 0.0018215 k( 409) = ( 0.3659172 -0.3659172 0.3659172), wk = 0.0018215 k( 410) = ( 0.3713786 -0.3713786 0.3713786), wk = 0.0018215 k( 411) = ( 0.3768400 -0.3768401 0.3768401), wk = 0.0018215 k( 412) = ( 0.3768400 -0.3768401 0.3768401), wk = 0.0018215 k( 413) = ( 0.3799190 -0.3674191 0.3674191), wk = 0.0018215 k( 414) = ( 0.3829980 -0.3579981 0.3579981), wk = 0.0018215 k( 415) = ( 0.3860770 -0.3485771 0.3485771), wk = 0.0018215 k( 416) = ( 0.3891560 -0.3391561 0.3391561), wk = 0.0018215 k( 417) = ( 0.3922350 -0.3297351 0.3297351), wk = 0.0018215 k( 418) = ( 0.3953140 -0.3203140 0.3203140), wk = 0.0018215 k( 419) = ( 0.3983930 -0.3108930 0.3108930), wk = 0.0018215 k( 420) = ( 0.4014720 -0.3014720 0.3014720), wk = 0.0018215 k( 421) = ( 0.4045510 -0.2920510 0.2920510), wk = 0.0018215 k( 422) = ( 0.4076300 -0.2826300 0.2826300), wk = 0.0018215 k( 423) = ( 0.4107090 -0.2732090 0.2732090), wk = 0.0018215 k( 424) = ( 0.4137880 -0.2637880 0.2637880), wk = 0.0018215 k( 425) = ( 0.4168670 -0.2543670 0.2543670), wk = 0.0018215 k( 426) = ( 0.4199460 -0.2449460 0.2449460), wk = 0.0018215 k( 427) = ( 0.4230250 -0.2355250 0.2355250), wk = 0.0018215 k( 428) = ( 0.4261040 -0.2261040 0.2261040), wk = 0.0018215 k( 429) = ( 0.4291830 -0.2166830 0.2166830), wk = 0.0018215 k( 430) = ( 0.4322620 -0.2072620 0.2072620), wk = 0.0018215 k( 431) = ( 0.4353410 -0.1978410 0.1978410), wk = 0.0018215 k( 432) = ( 0.4384200 -0.1884200 0.1884200), wk = 0.0018215 k( 433) = ( 0.4414990 -0.1789990 0.1789990), wk = 0.0018215 k( 434) = ( 0.4445780 -0.1695780 0.1695780), wk = 0.0018215 k( 435) = ( 0.4476570 -0.1601570 0.1601570), wk = 0.0018215 k( 436) = ( 0.4507360 -0.1507360 0.1507360), wk = 0.0018215 k( 437) = ( 0.4538150 -0.1413150 0.1413150), wk = 0.0018215 k( 438) = ( 0.4568940 -0.1318940 0.1318940), wk = 0.0018215 k( 439) = ( 0.4599730 -0.1224730 0.1224730), wk = 0.0018215 k( 440) = ( 0.4630520 -0.1130520 0.1130520), wk = 0.0018215 k( 441) = ( 0.4661310 -0.1036310 0.1036310), wk = 0.0018215 k( 442) = ( 0.4692100 -0.0942100 0.0942100), wk = 0.0018215 k( 443) = ( 0.4722890 -0.0847890 0.0847890), wk = 0.0018215 k( 444) = ( 0.4753680 -0.0753680 0.0753680), wk = 0.0018215 k( 445) = ( 0.4784470 -0.0659470 0.0659470), wk = 0.0018215 k( 446) = ( 0.4815260 -0.0565260 0.0565260), wk = 0.0018215 k( 447) = ( 0.4846050 -0.0471050 0.0471050), wk = 0.0018215 k( 448) = ( 0.4876840 -0.0376840 0.0376840), wk = 0.0018215 k( 449) = ( 0.4907630 -0.0282630 0.0282630), wk = 0.0018215 k( 450) = ( 0.4938420 -0.0188420 0.0188420), wk = 0.0018215 k( 451) = ( 0.4969210 -0.0094210 0.0094210), wk = 0.0018215 k( 452) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018215 k( 453) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018215 k( 454) = ( 0.4946809 0.0053192 0.0053192), wk = 0.0018215 k( 455) = ( 0.4893617 0.0106383 0.0106383), wk = 0.0018215 k( 456) = ( 0.4840426 0.0159575 0.0159575), wk = 0.0018215 k( 457) = ( 0.4787234 0.0212766 0.0212766), wk = 0.0018215 k( 458) = ( 0.4734043 0.0265957 0.0265957), wk = 0.0018215 k( 459) = ( 0.4680851 0.0319149 0.0319149), wk = 0.0018215 k( 460) = ( 0.4627660 0.0372340 0.0372340), wk = 0.0018215 k( 461) = ( 0.4574468 0.0425532 0.0425532), wk = 0.0018215 k( 462) = ( 0.4521277 0.0478723 0.0478723), wk = 0.0018215 k( 463) = ( 0.4468085 0.0531915 0.0531915), wk = 0.0018215 k( 464) = ( 0.4414894 0.0585106 0.0585106), wk = 0.0018215 k( 465) = ( 0.4361702 0.0638298 0.0638298), wk = 0.0018215 k( 466) = ( 0.4308511 0.0691489 0.0691489), wk = 0.0018215 k( 467) = ( 0.4255319 0.0744681 0.0744681), wk = 0.0018215 k( 468) = ( 0.4202128 0.0797872 0.0797872), wk = 0.0018215 k( 469) = ( 0.4148936 0.0851064 0.0851064), wk = 0.0018215 k( 470) = ( 0.4095745 0.0904255 0.0904255), wk = 0.0018215 k( 471) = ( 0.4042553 0.0957447 0.0957447), wk = 0.0018215 k( 472) = ( 0.3989362 0.1010638 0.1010638), wk = 0.0018215 k( 473) = ( 0.3936170 0.1063830 0.1063830), wk = 0.0018215 k( 474) = ( 0.3882979 0.1117021 0.1117021), wk = 0.0018215 k( 475) = ( 0.3829787 0.1170213 0.1170213), wk = 0.0018215 k( 476) = ( 0.3776596 0.1223404 0.1223404), wk = 0.0018215 k( 477) = ( 0.3723404 0.1276596 0.1276596), wk = 0.0018215 k( 478) = ( 0.3670213 0.1329787 0.1329787), wk = 0.0018215 k( 479) = ( 0.3617021 0.1382979 0.1382979), wk = 0.0018215 k( 480) = ( 0.3563830 0.1436170 0.1436170), wk = 0.0018215 k( 481) = ( 0.3510638 0.1489362 0.1489362), wk = 0.0018215 k( 482) = ( 0.3457447 0.1542553 0.1542553), wk = 0.0018215 k( 483) = ( 0.3404255 0.1595745 0.1595745), wk = 0.0018215 k( 484) = ( 0.3351064 0.1648936 0.1648936), wk = 0.0018215 k( 485) = ( 0.3297872 0.1702128 0.1702128), wk = 0.0018215 k( 486) = ( 0.3244681 0.1755319 0.1755319), wk = 0.0018215 k( 487) = ( 0.3191489 0.1808511 0.1808511), wk = 0.0018215 k( 488) = ( 0.3138298 0.1861702 0.1861702), wk = 0.0018215 k( 489) = ( 0.3085106 0.1914894 0.1914894), wk = 0.0018215 k( 490) = ( 0.3031915 0.1968085 0.1968085), wk = 0.0018215 k( 491) = ( 0.2978723 0.2021277 0.2021277), wk = 0.0018215 k( 492) = ( 0.2925532 0.2074468 0.2074468), wk = 0.0018215 k( 493) = ( 0.2872340 0.2127660 0.2127660), wk = 0.0018215 k( 494) = ( 0.2819149 0.2180851 0.2180851), wk = 0.0018215 k( 495) = ( 0.2765957 0.2234043 0.2234043), wk = 0.0018215 k( 496) = ( 0.2712766 0.2287234 0.2287234), wk = 0.0018215 k( 497) = ( 0.2659574 0.2340426 0.2340426), wk = 0.0018215 k( 498) = ( 0.2606383 0.2393617 0.2393617), wk = 0.0018215 k( 499) = ( 0.2553191 0.2446809 0.2446809), wk = 0.0018215 k( 500) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018215 k( 501) = ( 0.2484725 -0.2484725 0.5052076), wk = 0.0018215 k( 502) = ( 0.2538212 -0.2538212 0.4998589), wk = 0.0018215 k( 503) = ( 0.2591698 -0.2591698 0.4945103), wk = 0.0018215 k( 504) = ( 0.2645185 -0.2645185 0.4891616), wk = 0.0018215 k( 505) = ( 0.2698671 -0.2698671 0.4838130), wk = 0.0018215 k( 506) = ( 0.2752158 -0.2752158 0.4784643), wk = 0.0018215 k( 507) = ( 0.2805644 -0.2805644 0.4731157), wk = 0.0018215 k( 508) = ( 0.2859131 -0.2859131 0.4677671), wk = 0.0018215 k( 509) = ( 0.2912617 -0.2912617 0.4624184), wk = 0.0018215 k( 510) = ( 0.2966103 -0.2966103 0.4570698), wk = 0.0018215 k( 511) = ( 0.3019590 -0.3019590 0.4517211), wk = 0.0018215 k( 512) = ( 0.3073076 -0.3073076 0.4463725), wk = 0.0018215 k( 513) = ( 0.3126563 -0.3126563 0.4410238), wk = 0.0018215 k( 514) = ( 0.3180049 -0.3180049 0.4356752), wk = 0.0018215 k( 515) = ( 0.3233536 -0.3233536 0.4303265), wk = 0.0018215 k( 516) = ( 0.3287022 -0.3287022 0.4249779), wk = 0.0018215 k( 517) = ( 0.3340509 -0.3340509 0.4196292), wk = 0.0018215 k( 518) = ( 0.3393995 -0.3393995 0.4142806), wk = 0.0018215 k( 519) = ( 0.3447482 -0.3447482 0.4089319), wk = 0.0018215 k( 520) = ( 0.3500968 -0.3500968 0.4035833), wk = 0.0018215 k( 521) = ( 0.3554455 -0.3554455 0.3982346), wk = 0.0018215 k( 522) = ( 0.3607941 -0.3607941 0.3928860), wk = 0.0018215 k( 523) = ( 0.3661428 -0.3661428 0.3875374), wk = 0.0018215 k( 524) = ( 0.3714914 -0.3714914 0.3821887), wk = 0.0018215 k( 525) = ( 0.3768400 -0.3768401 0.3768401), wk = 0.0018215 k( 526) = ( 0.6231600 0.3768400 -0.3768401), wk = 0.0018215 k( 527) = ( 0.6178052 0.3821948 -0.3821948), wk = 0.0018215 k( 528) = ( 0.6124504 0.3875496 -0.3875496), wk = 0.0018215 k( 529) = ( 0.6070956 0.3929044 -0.3929044), wk = 0.0018215 k( 530) = ( 0.6017408 0.3982592 -0.3982592), wk = 0.0018215 k( 531) = ( 0.5963861 0.4036140 -0.4036139), wk = 0.0018215 k( 532) = ( 0.5910313 0.4089687 -0.4089687), wk = 0.0018215 k( 533) = ( 0.5856765 0.4143235 -0.4143235), wk = 0.0018215 k( 534) = ( 0.5803217 0.4196783 -0.4196783), wk = 0.0018215 k( 535) = ( 0.5749669 0.4250331 -0.4250331), wk = 0.0018215 k( 536) = ( 0.5696121 0.4303879 -0.4303879), wk = 0.0018215 k( 537) = ( 0.5642574 0.4357426 -0.4357426), wk = 0.0018215 k( 538) = ( 0.5589026 0.4410974 -0.4410974), wk = 0.0018215 k( 539) = ( 0.5535478 0.4464522 -0.4464522), wk = 0.0018215 k( 540) = ( 0.5481930 0.4518070 -0.4518070), wk = 0.0018215 k( 541) = ( 0.5428382 0.4571618 -0.4571618), wk = 0.0018215 k( 542) = ( 0.5374835 0.4625165 -0.4625165), wk = 0.0018215 k( 543) = ( 0.5321287 0.4678713 -0.4678713), wk = 0.0018215 k( 544) = ( 0.5267739 0.4732261 -0.4732261), wk = 0.0018215 k( 545) = ( 0.5214191 0.4785809 -0.4785809), wk = 0.0018215 k( 546) = ( 0.5160643 0.4839357 -0.4839357), wk = 0.0018215 k( 547) = ( 0.5107096 0.4892904 -0.4892904), wk = 0.0018215 k( 548) = ( 0.5053548 0.4946452 -0.4946452), wk = 0.0018215 k( 549) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0018215 Dense grid: 52923 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 6611 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 58, 26) NL pseudopotentials 0.03 Mb ( 29, 68) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1654) G-vector shells 0.01 Mb ( 1479) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 58, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 68, 2, 26) The potential is recalculated from file : ./CdS.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.6 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.5 secs Computing kpt #: 13 total cpu time spent up to now is 5.7 secs Computing kpt #: 14 total cpu time spent up to now is 5.9 secs Computing kpt #: 15 total cpu time spent up to now is 6.1 secs Computing kpt #: 16 total cpu time spent up to now is 6.3 secs Computing kpt #: 17 total cpu time spent up to now is 6.6 secs Computing kpt #: 18 total cpu time spent up to now is 6.8 secs Computing kpt #: 19 total cpu time spent up to now is 7.0 secs Computing kpt #: 20 total cpu time spent up to now is 7.2 secs Computing kpt #: 21 total cpu time spent up to now is 7.4 secs Computing kpt #: 22 total cpu time spent up to now is 7.6 secs Computing kpt #: 23 total cpu time spent up to now is 7.8 secs Computing kpt #: 24 total cpu time spent up to now is 8.0 secs Computing kpt #: 25 total cpu time spent up to now is 8.2 secs Computing kpt #: 26 total cpu time spent up to now is 8.4 secs Computing kpt #: 27 total cpu time spent up to now is 8.6 secs Computing kpt #: 28 total cpu time spent up to now is 8.8 secs Computing kpt #: 29 total cpu time spent up to now is 9.0 secs Computing kpt #: 30 total cpu time spent up to now is 9.1 secs Computing kpt #: 31 total cpu time spent up to now is 9.3 secs Computing kpt #: 32 total cpu time spent up to now is 9.4 secs Computing kpt #: 33 total cpu time spent up to now is 9.6 secs Computing kpt #: 34 total cpu time spent up to now is 9.7 secs Computing kpt #: 35 total cpu time spent up to now is 9.9 secs Computing kpt #: 36 total cpu time spent up to now is 10.0 secs Computing kpt #: 37 total cpu time spent up to now is 10.1 secs Computing kpt #: 38 total cpu time spent up to now is 10.3 secs Computing kpt #: 39 total cpu time spent up to now is 10.4 secs Computing kpt #: 40 total cpu time spent up to now is 10.6 secs Computing kpt #: 41 total cpu time spent up to now is 10.7 secs Computing kpt #: 42 total cpu time spent up to now is 10.9 secs Computing kpt #: 43 total cpu time spent up to now is 11.0 secs Computing kpt #: 44 total cpu time spent up to now is 11.1 secs Computing kpt #: 45 total cpu time spent up to now is 11.3 secs Computing kpt #: 46 total cpu time spent up to now is 11.4 secs Computing kpt #: 47 total cpu time spent up to now is 11.5 secs Computing kpt #: 48 total cpu time spent up to now is 11.7 secs Computing kpt #: 49 total cpu time spent up to now is 11.8 secs Computing kpt #: 50 total cpu time spent up to now is 12.0 secs Computing kpt #: 51 total cpu time spent up to now is 12.1 secs Computing kpt #: 52 total cpu time spent up to now is 12.3 secs Computing kpt #: 53 total cpu time spent up to now is 12.4 secs Computing kpt #: 54 total cpu time spent up to now is 12.5 secs Computing kpt #: 55 total cpu time spent up to now is 12.7 secs Computing kpt #: 56 total cpu time spent up to now is 12.8 secs Computing kpt #: 57 total cpu time spent up to now is 12.9 secs Computing kpt #: 58 total cpu time spent up to now is 13.1 secs Computing kpt #: 59 total cpu time spent up to now is 13.2 secs Computing kpt #: 60 total cpu time spent up to now is 13.4 secs Computing kpt #: 61 total cpu time spent up to now is 13.5 secs Computing kpt #: 62 total cpu time spent up to now is 13.7 secs Computing kpt #: 63 total cpu time spent up to now is 13.8 secs Computing kpt #: 64 total cpu time spent up to now is 14.0 secs Computing kpt #: 65 total cpu time spent up to now is 14.1 secs Computing kpt #: 66 total cpu time spent up to now is 14.3 secs Computing kpt #: 67 total cpu time spent up to now is 14.4 secs Computing kpt #: 68 total cpu time spent up to now is 14.6 secs Computing kpt #: 69 total cpu time spent up to now is 14.7 secs Computing kpt #: 70 total cpu time spent up to now is 14.9 secs Computing kpt #: 71 total cpu time spent up to now is 15.0 secs Computing kpt #: 72 total cpu time spent up to now is 15.2 secs Computing kpt #: 73 total cpu time spent up to now is 15.4 secs Computing kpt #: 74 total cpu time spent up to now is 15.5 secs Computing kpt #: 75 total cpu time spent up to now is 15.7 secs Computing kpt #: 76 total cpu time spent up to now is 15.8 secs Computing kpt #: 77 total cpu time spent up to now is 16.0 secs Computing kpt #: 78 total cpu time spent up to now is 16.1 secs Computing kpt #: 79 total cpu time spent up to now is 16.3 secs Computing kpt #: 80 total cpu time spent up to now is 16.4 secs Computing kpt #: 81 total cpu time spent up to now is 16.6 secs Computing kpt #: 82 total cpu time spent up to now is 16.7 secs Computing kpt #: 83 total cpu time spent up to now is 16.9 secs Computing kpt #: 84 total cpu time spent up to now is 17.0 secs Computing kpt #: 85 total cpu time spent up to now is 17.1 secs Computing kpt #: 86 total cpu time spent up to now is 17.3 secs Computing kpt #: 87 total cpu time spent up to now is 17.4 secs Computing kpt #: 88 total cpu time spent up to now is 17.6 secs Computing kpt #: 89 total cpu time spent up to now is 17.7 secs Computing kpt #: 90 total cpu time spent up to now is 17.9 secs Computing kpt #: 91 total cpu time spent up to now is 18.0 secs Computing kpt #: 92 total cpu time spent up to now is 18.1 secs Computing kpt #: 93 total cpu time spent up to now is 18.3 secs Computing kpt #: 94 total cpu time spent up to now is 18.4 secs Computing kpt #: 95 total cpu time spent up to now is 18.6 secs Computing kpt #: 96 total cpu time spent up to now is 18.7 secs Computing kpt #: 97 total cpu time spent up to now is 18.9 secs Computing kpt #: 98 total cpu time spent up to now is 19.0 secs Computing kpt #: 99 total cpu time spent up to now is 19.1 secs Computing kpt #: 100 total cpu time spent up to now is 19.3 secs Computing kpt #: 101 total cpu time spent up to now is 19.4 secs Computing kpt #: 102 total cpu time spent up to now is 19.5 secs Computing kpt #: 103 total cpu time spent up to now is 19.7 secs Computing kpt #: 104 total cpu time spent up to now is 19.8 secs Computing kpt #: 105 total cpu time spent up to now is 20.0 secs Computing kpt #: 106 total cpu time spent up to now is 20.1 secs Computing kpt #: 107 total cpu time spent up to now is 20.3 secs Computing kpt #: 108 total cpu time spent up to now is 20.4 secs Computing kpt #: 109 total cpu time spent up to now is 20.6 secs Computing kpt #: 110 total cpu time spent up to now is 20.7 secs Computing kpt #: 111 total cpu time spent up to now is 20.9 secs Computing kpt #: 112 total cpu time spent up to now is 21.0 secs Computing kpt #: 113 total cpu time spent up to now is 21.2 secs Computing kpt #: 114 total cpu time spent up to now is 21.4 secs Computing kpt #: 115 total cpu time spent up to now is 21.5 secs Computing kpt #: 116 total cpu time spent up to now is 21.7 secs Computing kpt #: 117 total cpu time spent up to now is 21.9 secs Computing kpt #: 118 total cpu time spent up to now is 22.1 secs Computing kpt #: 119 total cpu time spent up to now is 22.2 secs Computing kpt #: 120 total cpu time spent up to now is 22.4 secs Computing kpt #: 121 total cpu time spent up to now is 22.6 secs Computing kpt #: 122 total cpu time spent up to now is 22.8 secs Computing kpt #: 123 total cpu time spent up to now is 23.1 secs Computing kpt #: 124 total cpu time spent up to now is 23.3 secs Computing kpt #: 125 total cpu time spent up to now is 23.5 secs Computing kpt #: 126 total cpu time spent up to now is 23.8 secs Computing kpt #: 127 total cpu time spent up to now is 24.0 secs Computing kpt #: 128 total cpu time spent up to now is 24.2 secs Computing kpt #: 129 total cpu time spent up to now is 24.4 secs Computing kpt #: 130 total cpu time spent up to now is 24.6 secs Computing kpt #: 131 total cpu time spent up to now is 24.9 secs Computing kpt #: 132 total cpu time spent up to now is 25.1 secs Computing kpt #: 133 total cpu time spent up to now is 25.3 secs Computing kpt #: 134 total cpu time spent up to now is 25.5 secs Computing kpt #: 135 total cpu time spent up to now is 25.7 secs Computing kpt #: 136 total cpu time spent up to now is 25.9 secs Computing kpt #: 137 total cpu time spent up to now is 26.1 secs Computing kpt #: 138 total cpu time spent up to now is 26.3 secs Computing kpt #: 139 total cpu time spent up to now is 26.4 secs Computing kpt #: 140 total cpu time spent up to now is 26.6 secs Computing kpt #: 141 total cpu time spent up to now is 26.8 secs Computing kpt #: 142 total cpu time spent up to now is 27.0 secs Computing kpt #: 143 total cpu time spent up to now is 27.1 secs Computing kpt #: 144 total cpu time spent up to now is 27.3 secs Computing kpt #: 145 total cpu time spent up to now is 27.5 secs Computing kpt #: 146 total cpu time spent up to now is 27.6 secs Computing kpt #: 147 total cpu time spent up to now is 27.8 secs Computing kpt #: 148 total cpu time spent up to now is 27.9 secs Computing kpt #: 149 total cpu time spent up to now is 28.1 secs Computing kpt #: 150 total cpu time spent up to now is 28.2 secs Computing kpt #: 151 total cpu time spent up to now is 28.4 secs Computing kpt #: 152 total cpu time spent up to now is 28.5 secs Computing kpt #: 153 total cpu time spent up to now is 28.7 secs Computing kpt #: 154 total cpu time spent up to now is 28.8 secs Computing kpt #: 155 total cpu time spent up to now is 28.9 secs Computing kpt #: 156 total cpu time spent up to now is 29.1 secs Computing kpt #: 157 total cpu time spent up to now is 29.2 secs Computing kpt #: 158 total cpu time spent up to now is 29.4 secs Computing kpt #: 159 total cpu time spent up to now is 29.5 secs Computing kpt #: 160 total cpu time spent up to now is 29.6 secs Computing kpt #: 161 total cpu time spent up to now is 29.8 secs Computing kpt #: 162 total cpu time spent up to now is 29.9 secs Computing kpt #: 163 total cpu time spent up to now is 30.1 secs Computing kpt #: 164 total cpu time spent up to now is 30.2 secs Computing kpt #: 165 total cpu time spent up to now is 30.3 secs Computing kpt #: 166 total cpu time spent up to now is 30.5 secs Computing kpt #: 167 total cpu time spent up to now is 30.6 secs Computing kpt #: 168 total cpu time spent up to now is 30.8 secs Computing kpt #: 169 total cpu time spent up to now is 30.9 secs Computing kpt #: 170 total cpu time spent up to now is 31.0 secs Computing kpt #: 171 total cpu time spent up to now is 31.2 secs Computing kpt #: 172 total cpu time spent up to now is 31.3 secs Computing kpt #: 173 total cpu time spent up to now is 31.5 secs Computing kpt #: 174 total cpu time spent up to now is 31.6 secs Computing kpt #: 175 total cpu time spent up to now is 31.8 secs Computing kpt #: 176 total cpu time spent up to now is 31.9 secs Computing kpt #: 177 total cpu time spent up to now is 32.1 secs Computing kpt #: 178 total cpu time spent up to now is 32.2 secs Computing kpt #: 179 total cpu time spent up to now is 32.4 secs Computing kpt #: 180 total cpu time spent up to now is 32.5 secs Computing kpt #: 181 total cpu time spent up to now is 32.6 secs Computing kpt #: 182 total cpu time spent up to now is 32.8 secs Computing kpt #: 183 total cpu time spent up to now is 32.9 secs Computing kpt #: 184 total cpu time spent up to now is 33.1 secs Computing kpt #: 185 total cpu time spent up to now is 33.2 secs Computing kpt #: 186 total cpu time spent up to now is 33.4 secs Computing kpt #: 187 total cpu time spent up to now is 33.5 secs Computing kpt #: 188 total cpu time spent up to now is 33.7 secs Computing kpt #: 189 total cpu time spent up to now is 33.8 secs Computing kpt #: 190 total cpu time spent up to now is 34.0 secs Computing kpt #: 191 total cpu time spent up to now is 34.1 secs Computing kpt #: 192 total cpu time spent up to now is 34.3 secs Computing kpt #: 193 total cpu time spent up to now is 34.4 secs Computing kpt #: 194 total cpu time spent up to now is 34.6 secs Computing kpt #: 195 total cpu time spent up to now is 34.8 secs Computing kpt #: 196 total cpu time spent up to now is 34.9 secs Computing kpt #: 197 total cpu time spent up to now is 35.1 secs Computing kpt #: 198 total cpu time spent up to now is 35.3 secs Computing kpt #: 199 total cpu time spent up to now is 35.4 secs Computing kpt #: 200 total cpu time spent up to now is 35.6 secs Computing kpt #: 201 total cpu time spent up to now is 35.8 secs Computing kpt #: 202 total cpu time spent up to now is 36.0 secs Computing kpt #: 203 total cpu time spent up to now is 36.2 secs Computing kpt #: 204 total cpu time spent up to now is 36.3 secs Computing kpt #: 205 total cpu time spent up to now is 36.5 secs Computing kpt #: 206 total cpu time spent up to now is 36.7 secs Computing kpt #: 207 total cpu time spent up to now is 36.8 secs Computing kpt #: 208 total cpu time spent up to now is 37.0 secs Computing kpt #: 209 total cpu time spent up to now is 37.1 secs Computing kpt #: 210 total cpu time spent up to now is 37.2 secs Computing kpt #: 211 total cpu time spent up to now is 37.4 secs Computing kpt #: 212 total cpu time spent up to now is 37.5 secs Computing kpt #: 213 total cpu time spent up to now is 37.7 secs Computing kpt #: 214 total cpu time spent up to now is 37.9 secs Computing kpt #: 215 total cpu time spent up to now is 38.0 secs Computing kpt #: 216 total cpu time spent up to now is 38.2 secs Computing kpt #: 217 total cpu time spent up to now is 38.3 secs Computing kpt #: 218 total cpu time spent up to now is 38.5 secs Computing kpt #: 219 total cpu time spent up to now is 38.7 secs Computing kpt #: 220 total cpu time spent up to now is 38.9 secs Computing kpt #: 221 total cpu time spent up to now is 39.0 secs Computing kpt #: 222 total cpu time spent up to now is 39.2 secs Computing kpt #: 223 total cpu time spent up to now is 39.3 secs Computing kpt #: 224 total cpu time spent up to now is 39.5 secs Computing kpt #: 225 total cpu time spent up to now is 39.7 secs Computing kpt #: 226 total cpu time spent up to now is 39.8 secs Computing kpt #: 227 total cpu time spent up to now is 39.9 secs Computing kpt #: 228 total cpu time spent up to now is 40.1 secs Computing kpt #: 229 total cpu time spent up to now is 40.2 secs Computing kpt #: 230 total cpu time spent up to now is 40.4 secs Computing kpt #: 231 total cpu time spent up to now is 40.5 secs Computing kpt #: 232 total cpu time spent up to now is 40.7 secs Computing kpt #: 233 total cpu time spent up to now is 40.8 secs Computing kpt #: 234 total cpu time spent up to now is 41.0 secs Computing kpt #: 235 total cpu time spent up to now is 41.1 secs Computing kpt #: 236 total cpu time spent up to now is 41.2 secs Computing kpt #: 237 total cpu time spent up to now is 41.4 secs Computing kpt #: 238 total cpu time spent up to now is 41.5 secs Computing kpt #: 239 total cpu time spent up to now is 41.7 secs Computing kpt #: 240 total cpu time spent up to now is 41.8 secs Computing kpt #: 241 total cpu time spent up to now is 42.0 secs Computing kpt #: 242 total cpu time spent up to now is 42.1 secs Computing kpt #: 243 total cpu time spent up to now is 42.3 secs Computing kpt #: 244 total cpu time spent up to now is 42.4 secs Computing kpt #: 245 total cpu time spent up to now is 42.5 secs Computing kpt #: 246 total cpu time spent up to now is 42.7 secs Computing kpt #: 247 total cpu time spent up to now is 42.9 secs Computing kpt #: 248 total cpu time spent up to now is 43.0 secs Computing kpt #: 249 total cpu time spent up to now is 43.2 secs Computing kpt #: 250 total cpu time spent up to now is 43.3 secs Computing kpt #: 251 total cpu time spent up to now is 43.5 secs Computing kpt #: 252 total cpu time spent up to now is 43.6 secs Computing kpt #: 253 total cpu time spent up to now is 43.8 secs Computing kpt #: 254 total cpu time spent up to now is 44.0 secs Computing kpt #: 255 total cpu time spent up to now is 44.1 secs Computing kpt #: 256 total cpu time spent up to now is 44.3 secs Computing kpt #: 257 total cpu time spent up to now is 44.5 secs Computing kpt #: 258 total cpu time spent up to now is 44.6 secs Computing kpt #: 259 total cpu time spent up to now is 44.8 secs Computing kpt #: 260 total cpu time spent up to now is 45.0 secs Computing kpt #: 261 total cpu time spent up to now is 45.1 secs Computing kpt #: 262 total cpu time spent up to now is 45.3 secs Computing kpt #: 263 total cpu time spent up to now is 45.5 secs Computing kpt #: 264 total cpu time spent up to now is 45.7 secs Computing kpt #: 265 total cpu time spent up to now is 45.9 secs Computing kpt #: 266 total cpu time spent up to now is 46.1 secs Computing kpt #: 267 total cpu time spent up to now is 46.2 secs Computing kpt #: 268 total cpu time spent up to now is 46.4 secs Computing kpt #: 269 total cpu time spent up to now is 46.7 secs Computing kpt #: 270 total cpu time spent up to now is 46.9 secs Computing kpt #: 271 total cpu time spent up to now is 47.1 secs Computing kpt #: 272 total cpu time spent up to now is 47.3 secs Computing kpt #: 273 total cpu time spent up to now is 47.5 secs Computing kpt #: 274 total cpu time spent up to now is 47.7 secs Computing kpt #: 275 total cpu time spent up to now is 47.9 secs Computing kpt #: 276 total cpu time spent up to now is 48.1 secs Computing kpt #: 277 total cpu time spent up to now is 48.3 secs Computing kpt #: 278 total cpu time spent up to now is 48.6 secs Computing kpt #: 279 total cpu time spent up to now is 48.8 secs Computing kpt #: 280 total cpu time spent up to now is 49.0 secs Computing kpt #: 281 total cpu time spent up to now is 49.3 secs Computing kpt #: 282 total cpu time spent up to now is 49.5 secs Computing kpt #: 283 total cpu time spent up to now is 49.8 secs Computing kpt #: 284 total cpu time spent up to now is 50.0 secs Computing kpt #: 285 total cpu time spent up to now is 50.2 secs Computing kpt #: 286 total cpu time spent up to now is 50.4 secs Computing kpt #: 287 total cpu time spent up to now is 50.6 secs Computing kpt #: 288 total cpu time spent up to now is 50.9 secs Computing kpt #: 289 total cpu time spent up to now is 51.1 secs Computing kpt #: 290 total cpu time spent up to now is 51.3 secs Computing kpt #: 291 total cpu time spent up to now is 51.5 secs Computing kpt #: 292 total cpu time spent up to now is 51.7 secs Computing kpt #: 293 total cpu time spent up to now is 51.9 secs Computing kpt #: 294 total cpu time spent up to now is 52.1 secs Computing kpt #: 295 total cpu time spent up to now is 52.4 secs Computing kpt #: 296 total cpu time spent up to now is 52.6 secs Computing kpt #: 297 total cpu time spent up to now is 52.8 secs Computing kpt #: 298 total cpu time spent up to now is 53.0 secs Computing kpt #: 299 total cpu time spent up to now is 53.2 secs Computing kpt #: 300 total cpu time spent up to now is 53.4 secs Computing kpt #: 301 total cpu time spent up to now is 53.7 secs Computing kpt #: 302 total cpu time spent up to now is 53.9 secs Computing kpt #: 303 total cpu time spent up to now is 54.1 secs Computing kpt #: 304 total cpu time spent up to now is 54.3 secs Computing kpt #: 305 total cpu time spent up to now is 54.5 secs Computing kpt #: 306 total cpu time spent up to now is 54.8 secs Computing kpt #: 307 total cpu time spent up to now is 55.0 secs Computing kpt #: 308 total cpu time spent up to now is 55.2 secs Computing kpt #: 309 total cpu time spent up to now is 55.4 secs Computing kpt #: 310 total cpu time spent up to now is 55.6 secs Computing kpt #: 311 total cpu time spent up to now is 55.8 secs Computing kpt #: 312 total cpu time spent up to now is 56.0 secs Computing kpt #: 313 total cpu time spent up to now is 56.2 secs Computing kpt #: 314 total cpu time spent up to now is 56.5 secs Computing kpt #: 315 total cpu time spent up to now is 56.7 secs Computing kpt #: 316 total cpu time spent up to now is 56.9 secs Computing kpt #: 317 total cpu time spent up to now is 57.1 secs Computing kpt #: 318 total cpu time spent up to now is 57.3 secs Computing kpt #: 319 total cpu time spent up to now is 57.5 secs Computing kpt #: 320 total cpu time spent up to now is 57.7 secs Computing kpt #: 321 total cpu time spent up to now is 57.9 secs Computing kpt #: 322 total cpu time spent up to now is 58.1 secs Computing kpt #: 323 total cpu time spent up to now is 58.4 secs Computing kpt #: 324 total cpu time spent up to now is 58.6 secs Computing kpt #: 325 total cpu time spent up to now is 58.8 secs Computing kpt #: 326 total cpu time spent up to now is 59.1 secs Computing kpt #: 327 total cpu time spent up to now is 59.3 secs Computing kpt #: 328 total cpu time spent up to now is 59.5 secs Computing kpt #: 329 total cpu time spent up to now is 59.7 secs Computing kpt #: 330 total cpu time spent up to now is 59.9 secs Computing kpt #: 331 total cpu time spent up to now is 60.1 secs Computing kpt #: 332 total cpu time spent up to now is 60.3 secs Computing kpt #: 333 total cpu time spent up to now is 60.5 secs Computing kpt #: 334 total cpu time spent up to now is 60.7 secs Computing kpt #: 335 total cpu time spent up to now is 60.9 secs Computing kpt #: 336 total cpu time spent up to now is 61.1 secs Computing kpt #: 337 total cpu time spent up to now is 61.3 secs Computing kpt #: 338 total cpu time spent up to now is 61.4 secs Computing kpt #: 339 total cpu time spent up to now is 61.6 secs Computing kpt #: 340 total cpu time spent up to now is 61.8 secs Computing kpt #: 341 total cpu time spent up to now is 61.9 secs Computing kpt #: 342 total cpu time spent up to now is 62.1 secs Computing kpt #: 343 total cpu time spent up to now is 62.3 secs Computing kpt #: 344 total cpu time spent up to now is 62.5 secs Computing kpt #: 345 total cpu time spent up to now is 62.6 secs Computing kpt #: 346 total cpu time spent up to now is 62.8 secs Computing kpt #: 347 total cpu time spent up to now is 63.0 secs Computing kpt #: 348 total cpu time spent up to now is 63.2 secs Computing kpt #: 349 total cpu time spent up to now is 63.4 secs Computing kpt #: 350 total cpu time spent up to now is 63.5 secs Computing kpt #: 351 total cpu time spent up to now is 63.7 secs Computing kpt #: 352 total cpu time spent up to now is 63.9 secs Computing kpt #: 353 total cpu time spent up to now is 64.1 secs Computing kpt #: 354 total cpu time spent up to now is 64.3 secs Computing kpt #: 355 total cpu time spent up to now is 64.5 secs Computing kpt #: 356 total cpu time spent up to now is 64.7 secs Computing kpt #: 357 total cpu time spent up to now is 64.9 secs Computing kpt #: 358 total cpu time spent up to now is 65.1 secs Computing kpt #: 359 total cpu time spent up to now is 65.3 secs Computing kpt #: 360 total cpu time spent up to now is 65.6 secs Computing kpt #: 361 total cpu time spent up to now is 65.8 secs Computing kpt #: 362 total cpu time spent up to now is 66.0 secs Computing kpt #: 363 total cpu time spent up to now is 66.2 secs Computing kpt #: 364 total cpu time spent up to now is 66.4 secs Computing kpt #: 365 total cpu time spent up to now is 66.6 secs Computing kpt #: 366 total cpu time spent up to now is 66.8 secs Computing kpt #: 367 total cpu time spent up to now is 67.0 secs Computing kpt #: 368 total cpu time spent up to now is 67.2 secs Computing kpt #: 369 total cpu time spent up to now is 67.4 secs Computing kpt #: 370 total cpu time spent up to now is 67.5 secs Computing kpt #: 371 total cpu time spent up to now is 67.7 secs Computing kpt #: 372 total cpu time spent up to now is 67.9 secs Computing kpt #: 373 total cpu time spent up to now is 68.0 secs Computing kpt #: 374 total cpu time spent up to now is 68.2 secs Computing kpt #: 375 total cpu time spent up to now is 68.3 secs Computing kpt #: 376 total cpu time spent up to now is 68.5 secs Computing kpt #: 377 total cpu time spent up to now is 68.6 secs Computing kpt #: 378 total cpu time spent up to now is 68.8 secs Computing kpt #: 379 total cpu time spent up to now is 68.9 secs Computing kpt #: 380 total cpu time spent up to now is 69.0 secs Computing kpt #: 381 total cpu time spent up to now is 69.2 secs Computing kpt #: 382 total cpu time spent up to now is 69.3 secs Computing kpt #: 383 total cpu time spent up to now is 69.5 secs Computing kpt #: 384 total cpu time spent up to now is 69.6 secs Computing kpt #: 385 total cpu time spent up to now is 69.8 secs Computing kpt #: 386 total cpu time spent up to now is 69.9 secs Computing kpt #: 387 total cpu time spent up to now is 70.1 secs Computing kpt #: 388 total cpu time spent up to now is 70.2 secs Computing kpt #: 389 total cpu time spent up to now is 70.4 secs Computing kpt #: 390 total cpu time spent up to now is 70.5 secs Computing kpt #: 391 total cpu time spent up to now is 70.6 secs Computing kpt #: 392 total cpu time spent up to now is 70.8 secs Computing kpt #: 393 total cpu time spent up to now is 70.9 secs Computing kpt #: 394 total cpu time spent up to now is 71.1 secs Computing kpt #: 395 total cpu time spent up to now is 71.2 secs Computing kpt #: 396 total cpu time spent up to now is 71.3 secs Computing kpt #: 397 total cpu time spent up to now is 71.5 secs Computing kpt #: 398 total cpu time spent up to now is 71.6 secs Computing kpt #: 399 total cpu time spent up to now is 71.8 secs Computing kpt #: 400 total cpu time spent up to now is 71.9 secs Computing kpt #: 401 total cpu time spent up to now is 72.1 secs Computing kpt #: 402 total cpu time spent up to now is 72.2 secs Computing kpt #: 403 total cpu time spent up to now is 72.4 secs Computing kpt #: 404 total cpu time spent up to now is 72.5 secs Computing kpt #: 405 total cpu time spent up to now is 72.7 secs Computing kpt #: 406 total cpu time spent up to now is 72.8 secs Computing kpt #: 407 total cpu time spent up to now is 73.0 secs Computing kpt #: 408 total cpu time spent up to now is 73.1 secs Computing kpt #: 409 total cpu time spent up to now is 73.3 secs Computing kpt #: 410 total cpu time spent up to now is 73.5 secs Computing kpt #: 411 total cpu time spent up to now is 73.6 secs Computing kpt #: 412 total cpu time spent up to now is 73.8 secs Computing kpt #: 413 total cpu time spent up to now is 73.9 secs Computing kpt #: 414 total cpu time spent up to now is 74.1 secs Computing kpt #: 415 total cpu time spent up to now is 74.2 secs Computing kpt #: 416 total cpu time spent up to now is 74.4 secs Computing kpt #: 417 total cpu time spent up to now is 74.6 secs Computing kpt #: 418 total cpu time spent up to now is 74.7 secs Computing kpt #: 419 total cpu time spent up to now is 74.9 secs Computing kpt #: 420 total cpu time spent up to now is 75.1 secs Computing kpt #: 421 total cpu time spent up to now is 75.2 secs Computing kpt #: 422 total cpu time spent up to now is 75.4 secs Computing kpt #: 423 total cpu time spent up to now is 75.5 secs Computing kpt #: 424 total cpu time spent up to now is 75.7 secs Computing kpt #: 425 total cpu time spent up to now is 75.8 secs Computing kpt #: 426 total cpu time spent up to now is 75.9 secs Computing kpt #: 427 total cpu time spent up to now is 76.1 secs Computing kpt #: 428 total cpu time spent up to now is 76.2 secs Computing kpt #: 429 total cpu time spent up to now is 76.4 secs Computing kpt #: 430 total cpu time spent up to now is 76.5 secs Computing kpt #: 431 total cpu time spent up to now is 76.7 secs Computing kpt #: 432 total cpu time spent up to now is 76.8 secs Computing kpt #: 433 total cpu time spent up to now is 77.0 secs Computing kpt #: 434 total cpu time spent up to now is 77.1 secs Computing kpt #: 435 total cpu time spent up to now is 77.3 secs Computing kpt #: 436 total cpu time spent up to now is 77.4 secs Computing kpt #: 437 total cpu time spent up to now is 77.6 secs Computing kpt #: 438 total cpu time spent up to now is 77.7 secs Computing kpt #: 439 total cpu time spent up to now is 77.9 secs Computing kpt #: 440 total cpu time spent up to now is 78.1 secs Computing kpt #: 441 total cpu time spent up to now is 78.3 secs Computing kpt #: 442 total cpu time spent up to now is 78.4 secs Computing kpt #: 443 total cpu time spent up to now is 78.6 secs Computing kpt #: 444 total cpu time spent up to now is 78.8 secs Computing kpt #: 445 total cpu time spent up to now is 79.0 secs Computing kpt #: 446 total cpu time spent up to now is 79.2 secs Computing kpt #: 447 total cpu time spent up to now is 79.3 secs Computing kpt #: 448 total cpu time spent up to now is 79.5 secs Computing kpt #: 449 total cpu time spent up to now is 79.7 secs Computing kpt #: 450 total cpu time spent up to now is 79.8 secs Computing kpt #: 451 total cpu time spent up to now is 80.0 secs Computing kpt #: 452 total cpu time spent up to now is 80.1 secs Computing kpt #: 453 total cpu time spent up to now is 80.2 secs Computing kpt #: 454 total cpu time spent up to now is 80.4 secs Computing kpt #: 455 total cpu time spent up to now is 80.5 secs Computing kpt #: 456 total cpu time spent up to now is 80.7 secs Computing kpt #: 457 total cpu time spent up to now is 80.9 secs Computing kpt #: 458 total cpu time spent up to now is 81.0 secs Computing kpt #: 459 total cpu time spent up to now is 81.2 secs Computing kpt #: 460 total cpu time spent up to now is 81.4 secs Computing kpt #: 461 total cpu time spent up to now is 81.6 secs Computing kpt #: 462 total cpu time spent up to now is 81.8 secs Computing kpt #: 463 total cpu time spent up to now is 81.9 secs Computing kpt #: 464 total cpu time spent up to now is 82.1 secs Computing kpt #: 465 total cpu time spent up to now is 82.3 secs Computing kpt #: 466 total cpu time spent up to now is 82.4 secs Computing kpt #: 467 total cpu time spent up to now is 82.6 secs Computing kpt #: 468 total cpu time spent up to now is 82.7 secs Computing kpt #: 469 total cpu time spent up to now is 82.9 secs Computing kpt #: 470 total cpu time spent up to now is 83.1 secs Computing kpt #: 471 total cpu time spent up to now is 83.2 secs Computing kpt #: 472 total cpu time spent up to now is 83.4 secs Computing kpt #: 473 total cpu time spent up to now is 83.5 secs Computing kpt #: 474 total cpu time spent up to now is 83.7 secs Computing kpt #: 475 total cpu time spent up to now is 83.8 secs Computing kpt #: 476 total cpu time spent up to now is 84.0 secs Computing kpt #: 477 total cpu time spent up to now is 84.1 secs Computing kpt #: 478 total cpu time spent up to now is 84.3 secs Computing kpt #: 479 total cpu time spent up to now is 84.4 secs Computing kpt #: 480 total cpu time spent up to now is 84.6 secs Computing kpt #: 481 total cpu time spent up to now is 84.7 secs Computing kpt #: 482 total cpu time spent up to now is 84.9 secs Computing kpt #: 483 total cpu time spent up to now is 85.0 secs Computing kpt #: 484 total cpu time spent up to now is 85.2 secs Computing kpt #: 485 total cpu time spent up to now is 85.4 secs Computing kpt #: 486 total cpu time spent up to now is 85.5 secs Computing kpt #: 487 total cpu time spent up to now is 85.7 secs Computing kpt #: 488 total cpu time spent up to now is 85.8 secs Computing kpt #: 489 total cpu time spent up to now is 86.0 secs Computing kpt #: 490 total cpu time spent up to now is 86.1 secs Computing kpt #: 491 total cpu time spent up to now is 86.3 secs Computing kpt #: 492 total cpu time spent up to now is 86.4 secs Computing kpt #: 493 total cpu time spent up to now is 86.6 secs Computing kpt #: 494 total cpu time spent up to now is 86.7 secs Computing kpt #: 495 total cpu time spent up to now is 86.8 secs Computing kpt #: 496 total cpu time spent up to now is 87.0 secs Computing kpt #: 497 total cpu time spent up to now is 87.1 secs Computing kpt #: 498 total cpu time spent up to now is 87.3 secs Computing kpt #: 499 total cpu time spent up to now is 87.4 secs Computing kpt #: 500 total cpu time spent up to now is 87.5 secs Computing kpt #: 501 total cpu time spent up to now is 87.7 secs Computing kpt #: 502 total cpu time spent up to now is 87.8 secs Computing kpt #: 503 total cpu time spent up to now is 88.0 secs Computing kpt #: 504 total cpu time spent up to now is 88.1 secs Computing kpt #: 505 total cpu time spent up to now is 88.2 secs Computing kpt #: 506 total cpu time spent up to now is 88.4 secs Computing kpt #: 507 total cpu time spent up to now is 88.5 secs Computing kpt #: 508 total cpu time spent up to now is 88.7 secs Computing kpt #: 509 total cpu time spent up to now is 88.8 secs Computing kpt #: 510 total cpu time spent up to now is 88.9 secs Computing kpt #: 511 total cpu time spent up to now is 89.1 secs Computing kpt #: 512 total cpu time spent up to now is 89.2 secs Computing kpt #: 513 total cpu time spent up to now is 89.4 secs Computing kpt #: 514 total cpu time spent up to now is 89.5 secs Computing kpt #: 515 total cpu time spent up to now is 89.7 secs Computing kpt #: 516 total cpu time spent up to now is 89.8 secs Computing kpt #: 517 total cpu time spent up to now is 89.9 secs Computing kpt #: 518 total cpu time spent up to now is 90.1 secs Computing kpt #: 519 total cpu time spent up to now is 90.2 secs Computing kpt #: 520 total cpu time spent up to now is 90.4 secs Computing kpt #: 521 total cpu time spent up to now is 90.5 secs Computing kpt #: 522 total cpu time spent up to now is 90.7 secs Computing kpt #: 523 total cpu time spent up to now is 90.9 secs Computing kpt #: 524 total cpu time spent up to now is 91.0 secs Computing kpt #: 525 total cpu time spent up to now is 91.2 secs Computing kpt #: 526 total cpu time spent up to now is 91.3 secs Computing kpt #: 527 total cpu time spent up to now is 91.5 secs Computing kpt #: 528 total cpu time spent up to now is 91.7 secs Computing kpt #: 529 total cpu time spent up to now is 91.8 secs Computing kpt #: 530 total cpu time spent up to now is 92.0 secs Computing kpt #: 531 total cpu time spent up to now is 92.2 secs Computing kpt #: 532 total cpu time spent up to now is 92.3 secs Computing kpt #: 533 total cpu time spent up to now is 92.5 secs Computing kpt #: 534 total cpu time spent up to now is 92.7 secs Computing kpt #: 535 total cpu time spent up to now is 92.9 secs Computing kpt #: 536 total cpu time spent up to now is 93.1 secs Computing kpt #: 537 total cpu time spent up to now is 93.3 secs Computing kpt #: 538 total cpu time spent up to now is 93.5 secs Computing kpt #: 539 total cpu time spent up to now is 93.7 secs Computing kpt #: 540 total cpu time spent up to now is 93.9 secs Computing kpt #: 541 total cpu time spent up to now is 94.1 secs Computing kpt #: 542 total cpu time spent up to now is 94.3 secs Computing kpt #: 543 total cpu time spent up to now is 94.5 secs Computing kpt #: 544 total cpu time spent up to now is 94.8 secs Computing kpt #: 545 total cpu time spent up to now is 95.0 secs Computing kpt #: 546 total cpu time spent up to now is 95.3 secs Computing kpt #: 547 total cpu time spent up to now is 95.5 secs Computing kpt #: 548 total cpu time spent up to now is 95.7 secs Computing kpt #: 549 total cpu time spent up to now is 95.9 secs ethr = 5.56E-11, avg # of iterations = 25.5 total cpu time spent up to now is 95.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 869 PWs) bands (ev): -1.4675 -1.4675 5.1561 5.1561 5.1700 5.1700 5.8019 5.8019 5.8148 5.8148 5.8331 5.8331 12.7340 12.7340 12.9245 12.9245 13.0586 13.0586 17.5937 17.5937 23.5357 23.5357 23.6759 23.6759 23.8251 23.8251 k =-0.0054 0.0054 0.0078 ( 865 PWs) bands (ev): -1.4663 -1.4663 5.1559 5.1559 5.1700 5.1700 5.8017 5.8017 5.8148 5.8148 5.8327 5.8327 12.7355 12.7355 12.9240 12.9240 13.0527 13.0527 17.6009 17.6009 23.5362 23.5362 23.6738 23.6738 23.8110 23.8110 k =-0.0108 0.0108 0.0156 ( 865 PWs) bands (ev): -1.4627 -1.4627 5.1551 5.1551 5.1698 5.1698 5.8010 5.8010 5.8146 5.8146 5.8317 5.8317 12.7397 12.7398 12.9226 12.9226 13.0353 13.0353 17.6222 17.6222 23.5375 23.5375 23.6657 23.6657 23.7726 23.7726 k =-0.0162 0.0162 0.0234 ( 865 PWs) bands (ev): -1.4567 -1.4567 5.1538 5.1538 5.1696 5.1696 5.7996 5.7996 5.8142 5.8142 5.8302 5.8302 12.7457 12.7457 12.9205 12.9205 13.0078 13.0078 17.6572 17.6572 23.5392 23.5392 23.6406 23.6406 23.7261 23.7261 k =-0.0215 0.0216 0.0312 ( 857 PWs) bands (ev): -1.4483 -1.4483 5.1520 5.1520 5.1694 5.1694 5.7973 5.7973 5.8136 5.8136 5.8287 5.8287 12.7511 12.7511 12.9177 12.9177 12.9730 12.9730 17.7052 17.7052 23.5362 23.5362 23.5829 23.5829 23.6979 23.6979 k =-0.0269 0.0270 0.0390 ( 857 PWs) bands (ev): -1.4375 -1.4375 5.1494 5.1494 5.1691 5.1691 5.7938 5.7938 5.8127 5.8127 5.8275 5.8275 12.7506 12.7506 12.9108 12.9108 12.9403 12.9403 17.7651 17.7651 23.4740 23.4740 23.5565 23.5565 23.6834 23.6834 k =-0.0323 0.0324 0.0467 ( 857 PWs) bands (ev): -1.4244 -1.4244 5.1462 5.1462 5.1687 5.1687 5.7888 5.7888 5.8116 5.8116 5.8270 5.8270 12.7339 12.7339 12.8884 12.8884 12.9325 12.9325 17.8358 17.8358 23.3697 23.3697 23.5594 23.5594 23.6715 23.6715 k =-0.0377 0.0378 0.0545 ( 857 PWs) bands (ev): -1.4089 -1.4089 5.1422 5.1422 5.1681 5.1681 5.7822 5.7822 5.8104 5.8104 5.8274 5.8274 12.6918 12.6919 12.8673 12.8673 12.9428 12.9428 17.9161 17.9161 23.2562 23.2562 23.5650 23.5650 23.6587 23.6587 k =-0.0431 0.0432 0.0623 ( 853 PWs) bands (ev): -1.3911 -1.3911 5.1375 5.1375 5.1674 5.1675 5.7741 5.7741 5.8091 5.8091 5.8286 5.8286 12.6272 12.6272 12.8527 12.8527 12.9642 12.9642 18.0047 18.0047 23.1385 23.1385 23.5705 23.5705 23.6442 23.6442 k =-0.0485 0.0486 0.0701 ( 849 PWs) bands (ev): -1.3709 -1.3709 5.1319 5.1319 5.1666 5.1666 5.7646 5.7646 5.8079 5.8080 5.8306 5.8306 12.5482 12.5482 12.8392 12.8392 12.9948 12.9948 18.1005 18.1005 23.0190 23.0190 23.5727 23.5727 23.6300 23.6300 k =-0.0539 0.0540 0.0779 ( 849 PWs) bands (ev): -1.3485 -1.3485 5.1255 5.1255 5.1654 5.1654 5.7539 5.7539 5.8069 5.8069 5.8334 5.8334 12.4599 12.4599 12.8245 12.8245 13.0327 13.0327 18.2020 18.2020 22.8994 22.8994 23.5632 23.5632 23.6230 23.6230 k =-0.0592 0.0594 0.0857 ( 845 PWs) bands (ev): -1.3238 -1.3238 5.1181 5.1182 5.1639 5.1639 5.7420 5.7420 5.8059 5.8059 5.8369 5.8369 12.3652 12.3652 12.8078 12.8078 13.0765 13.0765 18.3081 18.3081 22.7807 22.7807 23.5372 23.5372 23.6273 23.6273 k =-0.0646 0.0648 0.0935 ( 841 PWs) bands (ev): -1.2969 -1.2969 5.1099 5.1099 5.1621 5.1621 5.7291 5.7291 5.8051 5.8051 5.8412 5.8412 12.2658 12.2658 12.7891 12.7891 13.1252 13.1252 18.4177 18.4177 22.6641 22.6641 23.4986 23.4986 23.6380 23.6380 k =-0.0700 0.0702 0.1013 ( 841 PWs) bands (ev): -1.2677 -1.2677 5.1006 5.1006 5.1599 5.1599 5.7154 5.7154 5.8046 5.8046 5.8463 5.8463 12.1629 12.1629 12.7681 12.7681 13.1782 13.1782 18.5298 18.5298 22.5500 22.5500 23.4500 23.4500 23.6518 23.6518 k =-0.0754 0.0756 0.1091 ( 841 PWs) bands (ev): -1.2364 -1.2364 5.0904 5.0904 5.1571 5.1571 5.7008 5.7008 5.8042 5.8042 5.8523 5.8523 12.0576 12.0576 12.7450 12.7450 13.2350 13.2350 18.6432 18.6432 22.4390 22.4390 23.3918 23.3918 23.6677 23.6677 k =-0.0808 0.0810 0.1169 ( 841 PWs) bands (ev): -1.2030 -1.2030 5.0792 5.0792 5.1538 5.1538 5.6855 5.6855 5.8041 5.8041 5.8592 5.8592 11.9506 11.9506 12.7197 12.7197 13.2951 13.2951 18.7570 18.7570 22.3316 22.3316 23.3245 23.3245 23.6853 23.6853 k =-0.0862 0.0864 0.1246 ( 837 PWs) bands (ev): -1.1675 -1.1675 5.0671 5.0671 5.1500 5.1500 5.6696 5.6696 5.8044 5.8044 5.8670 5.8670 11.8427 11.8427 12.6921 12.6921 13.3582 13.3582 18.8703 18.8703 22.2283 22.2283 23.2483 23.2483 23.7045 23.7045 k =-0.0916 0.0918 0.1324 ( 837 PWs) bands (ev): -1.1300 -1.1300 5.0540 5.0540 5.1455 5.1455 5.6531 5.6531 5.8050 5.8050 5.8757 5.8757 11.7343 11.7343 12.6623 12.6623 13.4240 13.4240 18.9821 18.9821 22.1292 22.1292 23.1638 23.1639 23.7250 23.7250 k =-0.0969 0.0972 0.1402 ( 837 PWs) bands (ev): -1.0905 -1.0905 5.0400 5.0400 5.1403 5.1403 5.6361 5.6361 5.8059 5.8059 5.8854 5.8854 11.6261 11.6261 12.6301 12.6301 13.4919 13.4919 19.0916 19.0916 22.0348 22.0349 23.0722 23.0722 23.7464 23.7464 k =-0.1023 0.1026 0.1480 ( 837 PWs) bands (ev): -1.0491 -1.0491 5.0252 5.0252 5.1345 5.1345 5.6187 5.6187 5.8073 5.8073 5.8961 5.8961 11.5184 11.5184 12.5955 12.5955 13.5618 13.5618 19.1980 19.1980 21.9453 21.9453 22.9744 22.9744 23.7630 23.7630 k =-0.1077 0.1081 0.1558 ( 837 PWs) bands (ev): -1.0059 -1.0059 5.0096 5.0096 5.1278 5.1278 5.6010 5.6010 5.8091 5.8091 5.9076 5.9076 11.4117 11.4117 12.5585 12.5585 13.6333 13.6333 19.3002 19.3002 21.8609 21.8609 22.8720 22.8720 23.6235 23.6235 k =-0.1131 0.1135 0.1636 ( 837 PWs) bands (ev): -0.9608 -0.9608 4.9932 4.9932 5.1204 5.1204 5.5829 5.5829 5.8114 5.8114 5.9201 5.9201 11.3064 11.3064 12.5191 12.5191 13.7058 13.7058 19.3975 19.3975 21.7817 21.7817 22.7665 22.7665 23.4389 23.4389 k =-0.1185 0.1189 0.1714 ( 837 PWs) bands (ev): -0.9141 -0.9141 4.9763 4.9763 5.1121 5.1121 5.5647 5.5647 5.8141 5.8141 5.9334 5.9334 11.2026 11.2026 12.4771 12.4771 13.7791 13.7792 19.4888 19.4888 21.7079 21.7079 22.6595 22.6595 23.2579 23.2579 k =-0.1239 0.1243 0.1792 ( 837 PWs) bands (ev): -0.8657 -0.8657 4.9587 4.9587 5.1029 5.1030 5.5464 5.5464 5.8173 5.8173 5.9476 5.9476 11.1007 11.1007 12.4327 12.4327 13.8528 13.8528 19.5732 19.5732 21.6397 21.6397 22.5526 22.5526 23.0817 23.0817 k =-0.1293 0.1297 0.1870 ( 837 PWs) bands (ev): -0.8158 -0.8158 4.9407 4.9407 5.0929 5.0929 5.5282 5.5282 5.8210 5.8210 5.9625 5.9625 11.0008 11.0008 12.3857 12.3857 13.9263 13.9263 19.6495 19.6495 21.5771 21.5771 22.4477 22.4477 22.9109 22.9109 k =-0.1346 0.1351 0.1948 ( 837 PWs) bands (ev): -0.7645 -0.7645 4.9223 4.9223 5.0820 5.0820 5.5101 5.5101 5.8252 5.8252 5.9782 5.9782 10.9033 10.9033 12.3363 12.3363 13.9992 13.9992 19.7166 19.7166 21.5204 21.5204 22.3463 22.3463 22.7461 22.7461 k =-0.1400 0.1405 0.2025 ( 837 PWs) bands (ev): -0.7118 -0.7118 4.9037 4.9037 5.0703 5.0703 5.4922 5.4922 5.8298 5.8298 5.9945 5.9945 10.8083 10.8083 12.2843 12.2843 14.0710 14.0710 19.7731 19.7731 21.4695 21.4695 22.2501 22.2501 22.5880 22.5880 k =-0.1454 0.1459 0.2103 ( 841 PWs) bands (ev): -0.6579 -0.6579 4.8847 4.8847 5.0577 5.0577 5.4747 5.4747 5.8350 5.8350 6.0113 6.0113 10.7159 10.7159 12.2298 12.2298 14.1411 14.1411 19.8179 19.8179 21.4245 21.4245 22.1604 22.1604 22.4376 22.4376 k =-0.1508 0.1513 0.2181 ( 845 PWs) bands (ev): -0.6029 -0.6029 4.8656 4.8656 5.0443 5.0443 5.4577 5.4577 5.8406 5.8406 6.0287 6.0287 10.6263 10.6263 12.1728 12.1728 14.2090 14.2090 19.8497 19.8497 21.3854 21.3854 22.0774 22.0774 22.2969 22.2969 k =-0.1562 0.1567 0.2259 ( 841 PWs) bands (ev): -0.5470 -0.5470 4.8464 4.8464 5.0302 5.0302 5.4414 5.4414 5.8467 5.8467 6.0465 6.0465 10.5395 10.5395 12.1133 12.1133 14.2743 14.2743 19.8675 19.8675 21.3524 21.3524 21.9994 21.9994 22.1698 22.1698 k =-0.1616 0.1621 0.2337 ( 835 PWs) bands (ev): -0.4901 -0.4901 4.8272 4.8272 5.0156 5.0156 5.4257 5.4257 5.8533 5.8533 6.0648 6.0648 10.4557 10.4557 12.0515 12.0515 14.3361 14.3361 19.8705 19.8705 21.3252 21.3252 21.9193 21.9194 22.0650 22.0650 k =-0.1670 0.1675 0.2415 ( 839 PWs) bands (ev): -0.4327 -0.4327 4.8080 4.8080 5.0004 5.0004 5.4107 5.4108 5.8603 5.8603 6.0834 6.0834 10.3748 10.3748 11.9873 11.9873 14.3939 14.3939 19.8586 19.8586 21.3038 21.3038 21.8287 21.8288 21.9923 21.9923 k =-0.1724 0.1729 0.2493 ( 839 PWs) bands (ev): -0.3746 -0.3746 4.7888 4.7888 4.9851 4.9851 5.3967 5.3967 5.8677 5.8677 6.1022 6.1022 10.2970 10.2970 11.9209 11.9209 14.4470 14.4470 19.8323 19.8323 21.2879 21.2879 21.7309 21.7309 21.9491 21.9491 k =-0.1777 0.1783 0.2571 ( 835 PWs) bands (ev): -0.3163 -0.3163 4.7697 4.7698 4.9696 4.9696 5.3835 5.3835 5.8755 5.8755 6.1212 6.1212 10.2223 10.2223 11.8522 11.8522 14.4949 14.4949 19.7924 19.7924 21.2772 21.2772 21.6350 21.6350 21.9266 21.9266 k =-0.1831 0.1837 0.2649 ( 835 PWs) bands (ev): -0.2577 -0.2577 4.7508 4.7508 4.9543 4.9543 5.3714 5.3714 5.8836 5.8836 6.1404 6.1404 10.1506 10.1506 11.7814 11.7814 14.5368 14.5368 19.7404 19.7404 21.2711 21.2711 21.5467 21.5467 21.9191 21.9191 k =-0.1885 0.1891 0.2727 ( 835 PWs) bands (ev): -0.1992 -0.1992 4.7321 4.7321 4.9394 4.9394 5.3602 5.3602 5.8921 5.8921 6.1596 6.1596 10.0821 10.0821 11.7085 11.7085 14.5721 14.5721 19.6781 19.6781 21.2682 21.2683 21.4697 21.4697 21.9232 21.9232 k =-0.1939 0.1945 0.2804 ( 831 PWs) bands (ev): -0.1409 -0.1409 4.7137 4.7137 4.9251 4.9251 5.3500 5.3500 5.9010 5.9010 6.1788 6.1788 10.0166 10.0166 11.6338 11.6338 14.6002 14.6002 19.6072 19.6072 21.2654 21.2654 21.4086 21.4086 21.9366 21.9366 k =-0.1993 0.1999 0.2882 ( 835 PWs) bands (ev): -0.0831 -0.0831 4.6956 4.6956 4.9116 4.9116 5.3408 5.3408 5.9101 5.9101 6.1980 6.1980 9.9542 9.9542 11.5571 11.5571 14.6206 14.6206 19.5295 19.5295 21.2553 21.2553 21.3713 21.3713 21.9573 21.9573 k =-0.2047 0.2053 0.2960 ( 835 PWs) bands (ev): -0.0260 -0.0260 4.6780 4.6781 4.8992 4.8993 5.3327 5.3327 5.9195 5.9195 6.2172 6.2172 9.8948 9.8948 11.4787 11.4787 14.6329 14.6329 19.4465 19.4465 21.2335 21.2335 21.3630 21.3630 21.9836 21.9836 k =-0.2101 0.2107 0.3038 ( 835 PWs) bands (ev): 0.0302 0.0302 4.6612 4.6612 4.8882 4.8882 5.3256 5.3256 5.9292 5.9292 6.2363 6.2363 9.8384 9.8384 11.3986 11.3986 14.6366 14.6366 19.3597 19.3597 21.2089 21.2089 21.3752 21.3752 22.0142 22.0142 k =-0.2154 0.2161 0.3116 ( 831 PWs) bands (ev): 0.0853 0.0853 4.6452 4.6452 4.8785 4.8785 5.3195 5.3196 5.9391 5.9391 6.2553 6.2553 9.7849 9.7849 11.3170 11.3170 14.6315 14.6315 19.2701 19.2701 21.1907 21.1907 21.3989 21.3989 22.0477 22.0477 k =-0.2208 0.2215 0.3194 ( 835 PWs) bands (ev): 0.1389 0.1389 4.6302 4.6302 4.8704 4.8705 5.3145 5.3145 5.9491 5.9491 6.2742 6.2742 9.7344 9.7344 11.2340 11.2340 14.6175 14.6175 19.1788 19.1788 21.1826 21.1826 21.4304 21.4304 22.0832 22.0832 k =-0.2262 0.2269 0.3272 ( 833 PWs) bands (ev): 0.1908 0.1908 4.6166 4.6166 4.8641 4.8641 5.3105 5.3105 5.9593 5.9593 6.2931 6.2931 9.6867 9.6867 11.1497 11.1497 14.5944 14.5944 19.0865 19.0865 21.1861 21.1861 21.4682 21.4683 22.1197 22.1197 k =-0.2316 0.2323 0.3350 ( 833 PWs) bands (ev): 0.2407 0.2407 4.6044 4.6045 4.8595 4.8596 5.3075 5.3075 5.9697 5.9697 6.3119 6.3119 9.6419 9.6419 11.0642 11.0642 14.5625 14.5625 18.9939 18.9939 21.2018 21.2018 21.5117 21.5117 22.1565 22.1566 k =-0.2370 0.2377 0.3428 ( 832 PWs) bands (ev): 0.2885 0.2885 4.5941 4.5941 4.8568 4.8569 5.3055 5.3055 5.9802 5.9803 6.3307 6.3307 9.5997 9.5997 10.9776 10.9776 14.5218 14.5218 18.9015 18.9015 21.2296 21.2296 21.5604 21.5604 22.1930 22.1930 k =-0.2424 0.2431 0.3506 ( 832 PWs) bands (ev): 0.3337 0.3337 4.5857 4.5857 4.8561 4.8561 5.3045 5.3045 5.9909 5.9909 6.3495 6.3495 9.5603 9.5603 10.8900 10.8900 14.4727 14.4727 18.8096 18.8096 21.2693 21.2693 21.6142 21.6142 22.2285 22.2285 k =-0.2478 0.2485 0.3583 ( 832 PWs) bands (ev): 0.3763 0.3763 4.5795 4.5796 4.8574 4.8574 5.3046 5.3046 6.0016 6.0016 6.3684 6.3684 9.5236 9.5236 10.8016 10.8016 14.4156 14.4156 18.7186 18.7186 21.3207 21.3207 21.6727 21.6727 22.2623 22.2623 k =-0.2531 0.2539 0.3661 ( 836 PWs) bands (ev): 0.4159 0.4159 4.5757 4.5757 4.8607 4.8607 5.3056 5.3056 6.0123 6.0123 6.3874 6.3874 9.4894 9.4894 10.7124 10.7124 14.3509 14.3509 18.6286 18.6286 21.3833 21.3833 21.7359 21.7359 22.2940 22.2940 k =-0.2585 0.2593 0.3739 ( 836 PWs) bands (ev): 0.4524 0.4524 4.5743 4.5743 4.8661 4.8661 5.3077 5.3077 6.0231 6.0231 6.4067 6.4067 9.4578 9.4578 10.6226 10.6226 14.2792 14.2792 18.5399 18.5399 21.4565 21.4565 21.8035 21.8035 22.3230 22.3230 k =-0.2639 0.2647 0.3817 ( 832 PWs) bands (ev): 0.4855 0.4855 4.5755 4.5755 4.8737 4.8738 5.3109 5.3109 6.0339 6.0339 6.4265 6.4265 9.4288 9.4288 10.5323 10.5323 14.2011 14.2011 18.4526 18.4526 21.5397 21.5397 21.8756 21.8756 22.3487 22.3487 k =-0.2693 0.2701 0.3895 ( 832 PWs) bands (ev): 0.5152 0.5152 4.5791 4.5792 4.8835 4.8835 5.3151 5.3151 6.0446 6.0447 6.4467 6.4467 9.4023 9.4023 10.4415 10.4415 14.1170 14.1170 18.3667 18.3667 21.6325 21.6325 21.9518 21.9518 22.3705 22.3705 k =-0.2747 0.2755 0.3973 ( 830 PWs) bands (ev): 0.5413 0.5413 4.5853 4.5853 4.8955 4.8956 5.3203 5.3203 6.0554 6.0554 6.4678 6.4678 9.3782 9.3782 10.3504 10.3504 14.0276 14.0276 18.2822 18.2822 21.7340 21.7340 22.0322 22.0322 22.3881 22.3881 k =-0.2801 0.2809 0.4051 ( 830 PWs) bands (ev): 0.5638 0.5638 4.5938 4.5939 4.9098 4.9098 5.3265 5.3265 6.0661 6.0661 6.4897 6.4897 9.3566 9.3566 10.2590 10.2590 13.9334 13.9334 18.1991 18.1991 21.8435 21.8436 22.1164 22.1164 22.4009 22.4009 k =-0.2855 0.2863 0.4129 ( 830 PWs) bands (ev): 0.5826 0.5826 4.6046 4.6046 4.9263 4.9264 5.3338 5.3338 6.0767 6.0767 6.5127 6.5127 9.3375 9.3375 10.1675 10.1675 13.8351 13.8351 18.1173 18.1173 21.9604 21.9604 22.2042 22.2042 22.4088 22.4088 k =-0.2908 0.2917 0.4207 ( 832 PWs) bands (ev): 0.5977 0.5977 4.6173 4.6173 4.9451 4.9452 5.3422 5.3422 6.0873 6.0873 6.5369 6.5369 9.3208 9.3208 10.0760 10.0760 13.7331 13.7331 18.0368 18.0368 22.0833 22.0834 22.2941 22.2941 22.4130 22.4130 k =-0.2962 0.2971 0.4285 ( 824 PWs) bands (ev): 0.6092 0.6092 4.6318 4.6319 4.9661 4.9662 5.3516 5.3516 6.0977 6.0977 6.5629 6.5629 9.3066 9.3066 9.9845 9.9845 13.6280 13.6280 17.9573 17.9573 22.2095 22.2095 22.3738 22.3738 22.4277 22.4277 k =-0.3016 0.3025 0.4363 ( 824 PWs) bands (ev): 0.6172 0.6172 4.6478 4.6478 4.9892 4.9893 5.3621 5.3621 6.1081 6.1081 6.5906 6.5906 9.2948 9.2948 9.8932 9.8932 13.5201 13.5201 17.8788 17.8788 22.3192 22.3192 22.4087 22.4087 22.5058 22.5058 k =-0.3070 0.3079 0.4440 ( 822 PWs) bands (ev): 0.6218 0.6218 4.6650 4.6650 5.0143 5.0143 5.3737 5.3737 6.1183 6.1183 6.6204 6.6204 9.2855 9.2855 9.8022 9.8022 13.4101 13.4101 17.8011 17.8011 22.3382 22.3382 22.5103 22.5103 22.6091 22.6091 k =-0.3124 0.3133 0.4518 ( 818 PWs) bands (ev): 0.6231 0.6231 4.6831 4.6832 5.0411 5.0411 5.3863 5.3863 6.1285 6.1285 6.6525 6.6525 9.2787 9.2787 9.7115 9.7115 13.2983 13.2983 17.7238 17.7238 22.3140 22.3140 22.6449 22.6449 22.7227 22.7227 k =-0.3178 0.3187 0.4596 ( 822 PWs) bands (ev): 0.6214 0.6214 4.7019 4.7019 5.0694 5.0694 5.3999 5.3999 6.1384 6.1385 6.6872 6.6872 9.2744 9.2744 9.6213 9.6213 13.1851 13.1851 17.6470 17.6470 22.2764 22.2764 22.7779 22.7780 22.8508 22.8508 k =-0.3232 0.3242 0.4674 ( 826 PWs) bands (ev): 0.6168 0.6168 4.7211 4.7211 5.0989 5.0989 5.4146 5.4146 6.1483 6.1483 6.7245 6.7245 9.2724 9.2724 9.5320 9.5320 13.0709 13.0709 17.5702 17.5702 22.2286 22.2286 22.9028 22.9028 22.9961 22.9962 k =-0.3285 0.3296 0.4752 ( 826 PWs) bands (ev): 0.6096 0.6096 4.7405 4.7405 5.1294 5.1294 5.4304 5.4304 6.1580 6.1580 6.7648 6.7648 9.2723 9.2723 9.4441 9.4441 12.9561 12.9561 17.4932 17.4932 22.1715 22.1715 23.0238 23.0238 23.1532 23.1532 k =-0.3339 0.3350 0.4830 ( 826 PWs) bands (ev): 0.6001 0.6001 4.7599 4.7599 5.1605 5.1605 5.4473 5.4473 6.1676 6.1676 6.8081 6.8081 9.2711 9.2711 9.3609 9.3609 12.8410 12.8410 17.4158 17.4158 22.1058 22.1058 23.1448 23.1448 23.3173 23.3173 k =-0.3393 0.3404 0.4908 ( 826 PWs) bands (ev): 0.5884 0.5884 4.7791 4.7791 5.1919 5.1920 5.4653 5.4653 6.1771 6.1771 6.8543 6.8543 9.2424 9.2424 9.3090 9.3090 12.7259 12.7259 17.3377 17.3377 22.0319 22.0319 23.2674 23.2674 23.4865 23.4865 k =-0.3447 0.3458 0.4986 ( 826 PWs) bands (ev): 0.5747 0.5747 4.7980 4.7980 5.2234 5.2235 5.4843 5.4843 6.1865 6.1865 6.9035 6.9035 9.1666 9.1666 9.3081 9.3081 12.6110 12.6110 17.2586 17.2586 21.9505 21.9505 23.3921 23.3921 23.6596 23.6597 k =-0.3501 0.3512 0.5064 ( 824 PWs) bands (ev): 0.5594 0.5594 4.8164 4.8164 5.2548 5.2548 5.5044 5.5044 6.1958 6.1958 6.9556 6.9556 9.0823 9.0823 9.3199 9.3199 12.4968 12.4968 17.1782 17.1782 21.8626 21.8626 23.5190 23.5190 23.8363 23.8363 k =-0.3555 0.3566 0.5142 ( 820 PWs) bands (ev): 0.5427 0.5427 4.8341 4.8341 5.2858 5.2859 5.5255 5.5256 6.2050 6.2050 7.0101 7.0101 8.9973 8.9973 9.3370 9.3370 12.3834 12.3834 17.0962 17.0962 21.7691 21.7691 23.6482 23.6482 24.0160 24.0160 k =-0.3609 0.3620 0.5219 ( 820 PWs) bands (ev): 0.5248 0.5248 4.8510 4.8510 5.3164 5.3165 5.5477 5.5477 6.2142 6.2142 7.0669 7.0669 8.9127 8.9127 9.3586 9.3586 12.2710 12.2710 17.0123 17.0123 21.6709 21.6710 23.7796 23.7796 24.1985 24.1985 k =-0.3662 0.3674 0.5297 ( 820 PWs) bands (ev): 0.5059 0.5059 4.8670 4.8670 5.3465 5.3465 5.5708 5.5708 6.2233 6.2233 7.1254 7.1254 8.8288 8.8288 9.3845 9.3845 12.1600 12.1600 16.9263 16.9263 21.5694 21.5694 23.9131 23.9131 24.3835 24.3835 k =-0.3716 0.3728 0.5375 ( 822 PWs) bands (ev): 0.4863 0.4863 4.8819 4.8819 5.3761 5.3761 5.5948 5.5948 6.2324 6.2325 7.1852 7.1852 8.7459 8.7459 9.4148 9.4148 12.0507 12.0507 16.8379 16.8379 21.4654 21.4654 24.0487 24.0487 24.5707 24.5707 k =-0.3716 0.3728 0.5375 ( 822 PWs) bands (ev): 0.4863 0.4863 4.8819 4.8819 5.3761 5.3761 5.5948 5.5948 6.2324 6.2325 7.1852 7.1852 8.7459 8.7459 9.4148 9.4148 12.0507 12.0507 16.8379 16.8379 21.4654 21.4654 24.0487 24.0487 24.5707 24.5707 k =-0.3663 0.3674 0.5450 ( 822 PWs) bands (ev): 0.4863 0.4864 4.8796 4.8844 5.3721 5.3795 5.5945 5.5945 6.2318 6.2333 7.1866 7.1870 8.7469 8.7471 9.4151 9.4154 12.0413 12.0427 16.8480 16.8489 21.4657 21.4662 24.0422 24.0422 24.5576 24.5579 k =-0.3609 0.3620 0.5524 ( 825 PWs) bands (ev): 0.4866 0.4868 4.8774 4.8869 5.3676 5.3821 5.5937 5.5938 6.2313 6.2343 7.1912 7.1918 8.7502 8.7507 9.4161 9.4168 12.0150 12.0177 16.8789 16.8808 21.4670 21.4681 24.0229 24.0229 24.5193 24.5199 k =-0.3556 0.3567 0.5598 ( 822 PWs) bands (ev): 0.4871 0.4874 4.8754 4.8895 5.3626 5.3842 5.5924 5.5925 6.2310 6.2354 7.1988 7.1998 8.7558 8.7566 9.4181 9.4191 11.9725 11.9765 16.9300 16.9328 21.4695 21.4711 23.9913 23.9914 24.4579 24.4587 k =-0.3502 0.3513 0.5672 ( 817 PWs) bands (ev): 0.4878 0.4882 4.8735 4.8922 5.3573 5.3858 5.5904 5.5907 6.2311 6.2368 7.2093 7.2107 8.7637 8.7647 9.4208 9.4221 11.9149 11.9201 17.0000 17.0036 21.4730 21.4752 23.9482 23.9485 24.3763 24.3771 k =-0.3449 0.3459 0.5747 ( 817 PWs) bands (ev): 0.4887 0.4892 4.8718 4.8949 5.3518 5.3869 5.5878 5.5882 6.2314 6.2382 7.2226 7.2243 8.7739 8.7751 9.4242 9.4259 11.8437 11.8501 17.0874 17.0917 21.4774 21.4803 23.8948 23.8952 24.2778 24.2784 k =-0.3395 0.3405 0.5821 ( 819 PWs) bands (ev): 0.4897 0.4904 4.8701 4.8975 5.3465 5.3878 5.5845 5.5851 6.2320 6.2398 7.2385 7.2406 8.7863 8.7877 9.4285 9.4305 11.7607 11.7681 17.1903 17.1952 21.4828 21.4863 23.8322 23.8326 24.1659 24.1661 k =-0.3341 0.3352 0.5895 ( 819 PWs) bands (ev): 0.4909 0.4917 4.8686 4.9001 5.3413 5.3885 5.5805 5.5812 6.2330 6.2416 7.2568 7.2593 8.8011 8.8026 9.4334 9.4357 11.6675 11.6760 17.3070 17.3124 21.4891 21.4932 23.7614 23.7621 24.0434 24.0438 k =-0.3288 0.3298 0.5969 ( 821 PWs) bands (ev): 0.4923 0.4931 4.8672 4.9025 5.3367 5.3892 5.5757 5.5766 6.2344 6.2436 7.2773 7.2800 8.8180 8.8197 9.4390 9.4416 11.5660 11.5754 17.4356 17.4414 21.4961 21.5009 23.6835 23.6846 23.9133 23.9145 k =-0.3234 0.3244 0.6044 ( 823 PWs) bands (ev): 0.4937 0.4946 4.8658 4.9047 5.3327 5.3901 5.5701 5.5711 6.2362 6.2459 7.2996 7.3028 8.8371 8.8389 9.4451 9.4479 11.4579 11.4681 17.5740 17.5801 21.5038 21.5094 23.5996 23.6012 23.7786 23.7810 k =-0.3181 0.3191 0.6118 ( 823 PWs) bands (ev): 0.4952 0.4962 4.8646 4.9067 5.3296 5.3914 5.5639 5.5650 6.2384 6.2483 7.3236 7.3271 8.8585 8.8604 9.4516 9.4546 11.3448 11.3559 17.7204 17.7267 21.5122 21.5185 23.5100 23.5125 23.6419 23.6460 k =-0.3127 0.3137 0.6192 ( 823 PWs) bands (ev): 0.4968 0.4979 4.8634 4.9085 5.3275 5.3931 5.5569 5.5582 6.2409 6.2509 7.3489 7.3527 8.8820 8.8840 9.4582 9.4614 11.2283 11.2402 17.8729 17.8793 21.5210 21.5282 23.4148 23.4188 23.5063 23.5127 k =-0.3074 0.3083 0.6267 ( 823 PWs) bands (ev): 0.4983 0.4995 4.8624 4.9099 5.3266 5.3954 5.5493 5.5507 6.2436 6.2537 7.3752 7.3794 8.9077 8.9096 9.4647 9.4681 11.1101 11.1228 18.0295 18.0359 21.5303 21.5384 23.3126 23.3184 23.3761 23.3854 k =-0.3020 0.3029 0.6341 ( 823 PWs) bands (ev): 0.4998 0.5011 4.8615 4.9110 5.3268 5.3982 5.5411 5.5427 6.2466 6.2565 7.4022 7.4066 8.9354 8.9374 9.4707 9.4741 10.9916 11.0052 18.1882 18.1946 21.5400 21.5490 23.2021 23.2079 23.2579 23.2683 k =-0.2967 0.2976 0.6415 ( 823 PWs) bands (ev): 0.5013 0.5026 4.8608 4.9119 5.3284 5.4017 5.5325 5.5344 6.2497 6.2594 7.4296 7.4342 8.9652 8.9672 9.4757 9.4790 10.8746 10.8891 18.3468 18.3530 21.5503 21.5603 23.0867 23.0900 23.1511 23.1604 k =-0.2913 0.2922 0.6489 ( 822 PWs) bands (ev): 0.5026 0.5040 4.8603 4.9125 5.3313 5.4057 5.5235 5.5258 6.2529 6.2623 7.4569 7.4618 8.9970 8.9990 9.4787 9.4819 10.7609 10.7763 18.5027 18.5086 21.5616 21.5726 22.9736 22.9745 23.0490 23.0574 k =-0.2860 0.2868 0.6564 ( 822 PWs) bands (ev): 0.5038 0.5052 4.8600 4.9128 5.3355 5.4102 5.5142 5.5172 6.2561 6.2651 7.4837 7.4888 9.0308 9.0327 9.4789 9.4817 10.6526 10.6689 18.6531 18.6586 21.5745 21.5865 22.8669 22.8676 22.9485 22.9567 k =-0.2806 0.2815 0.6638 ( 822 PWs) bands (ev): 0.5047 0.5062 4.8600 4.9131 5.3410 5.4151 5.5047 5.5088 6.2592 6.2678 7.5096 7.5149 9.0665 9.0683 9.4747 9.4770 10.5519 10.5693 18.7948 18.7997 21.5904 21.6033 22.7699 22.7713 22.8492 22.8583 k =-0.2752 0.2761 0.6712 ( 824 PWs) bands (ev): 0.5054 0.5070 4.8603 4.9132 5.3477 5.4199 5.4952 5.5011 6.2621 6.2703 7.5341 7.5396 9.1040 9.1058 9.4646 9.4663 10.4614 10.4799 18.9240 18.9282 21.6111 21.6248 22.6846 22.6851 22.7520 22.7636 k =-0.2699 0.2707 0.6786 ( 828 PWs) bands (ev): 0.5058 0.5074 4.8609 4.9133 5.3555 5.4242 5.4857 5.4946 6.2647 6.2725 7.5566 7.5623 9.1432 9.1450 9.4467 9.4476 10.3839 10.4036 19.0366 19.0399 21.6394 21.6536 22.6056 22.6085 22.6612 22.6778 k =-0.2645 0.2653 0.6861 ( 828 PWs) bands (ev): 0.5059 0.5075 4.8620 4.9135 5.3642 5.4271 5.4764 5.4903 6.2670 6.2744 7.5766 7.5825 9.1840 9.1859 9.4198 9.4198 10.3219 10.3426 19.1285 19.1307 21.6783 21.6929 22.5235 22.5292 22.5904 22.6111 k =-0.2592 0.2600 0.6935 ( 830 PWs) bands (ev): 0.5055 0.5072 4.8634 4.9139 5.3738 5.4277 5.4674 5.4891 6.2689 6.2760 7.5933 7.5995 9.2258 9.2282 9.3824 9.3837 10.2769 10.2984 19.1960 19.1971 21.7310 21.7457 22.4348 22.4395 22.5472 22.5684 k =-0.2538 0.2546 0.7009 ( 832 PWs) bands (ev): 0.5047 0.5064 4.8654 4.9144 5.3840 5.4256 5.4587 5.4913 6.2704 6.2771 7.6059 7.6125 9.2663 9.2708 9.3376 9.3416 10.2491 10.2712 19.2366 19.2367 21.7994 21.8142 22.3430 22.3468 22.5250 22.5465 k =-0.2485 0.2492 0.7083 ( 830 PWs) bands (ev): 0.5035 0.5051 4.8678 4.9153 5.3947 5.4214 5.4508 5.4966 6.2715 6.2779 7.6136 7.6206 9.2713 9.2763 9.3247 9.3300 10.2373 10.2598 19.2486 19.2498 21.8830 21.8978 22.2515 22.2551 22.5209 22.5433 k =-0.2485 0.2492 0.7083 ( 830 PWs) bands (ev): 0.5035 0.5051 4.8678 4.9153 5.3947 5.4214 5.4508 5.4966 6.2715 6.2779 7.6136 7.6206 9.2713 9.2763 9.3247 9.3300 10.2373 10.2598 19.2486 19.2498 21.8830 21.8978 22.2515 22.2551 22.5209 22.5433 k =-0.2409 0.2417 0.7083 ( 830 PWs) bands (ev): 0.5024 0.5041 4.8718 4.9147 5.4034 5.4139 5.4473 5.5044 6.2717 6.2780 7.6144 7.6215 9.2103 9.2112 9.3900 9.3913 10.2359 10.2582 19.2171 19.2174 21.9320 21.9400 22.1241 22.1283 22.6455 22.6609 k =-0.2334 0.2341 0.7083 ( 832 PWs) bands (ev): 0.4997 0.5013 4.8775 4.9160 5.4064 5.4069 5.4530 5.5152 6.2722 6.2783 7.6162 7.6234 9.1423 9.1425 9.4576 9.4582 10.2357 10.2576 19.1413 19.1419 21.9607 21.9641 22.0529 22.0647 22.7831 22.7936 k =-0.2259 0.2266 0.7083 ( 830 PWs) bands (ev): 0.4953 0.4968 4.8847 4.9191 5.4011 5.4049 5.4667 5.5285 6.2729 6.2788 7.6192 7.6264 9.0729 9.0729 9.5247 9.5249 10.2367 10.2582 19.0284 19.0300 21.8541 21.8557 22.1601 22.1672 22.9296 22.9364 k =-0.2184 0.2190 0.7083 ( 830 PWs) bands (ev): 0.4892 0.4907 4.8932 4.9236 5.3972 5.4029 5.4845 5.5438 6.2739 6.2796 7.6233 7.6305 9.0028 9.0028 9.5908 9.5908 10.2388 10.2597 18.8869 18.8893 21.7345 21.7356 22.3107 22.3151 23.0834 23.0870 k =-0.2108 0.2115 0.7083 ( 832 PWs) bands (ev): 0.4816 0.4830 4.9026 4.9293 5.3955 5.4021 5.5047 5.5608 6.2751 6.2807 7.6284 7.6357 8.9322 8.9324 9.6558 9.6558 10.2420 10.2624 18.7242 18.7274 21.6168 21.6176 22.4844 22.4866 23.2438 23.2446 k =-0.2033 0.2039 0.7083 ( 830 PWs) bands (ev): 0.4725 0.4738 4.9127 4.9359 5.3964 5.4036 5.5265 5.5793 6.2767 6.2822 7.6347 7.6420 8.8613 8.8617 9.7196 9.7197 10.2464 10.2662 18.5465 18.5504 21.5022 21.5030 22.6741 22.6744 23.4087 23.4106 k =-0.1958 0.1964 0.7083 ( 832 PWs) bands (ev): 0.4621 0.4634 4.9230 4.9429 5.4001 5.4076 5.5496 5.5990 6.2785 6.2839 7.6421 7.6495 8.7903 8.7909 9.7821 9.7823 10.2520 10.2710 18.3585 18.3629 21.3913 21.3920 22.8732 22.8747 23.5795 23.5839 k =-0.1882 0.1888 0.7083 ( 832 PWs) bands (ev): 0.4505 0.4517 4.9332 4.9501 5.4069 5.4146 5.5738 5.6200 6.2807 6.2859 7.6506 7.6580 8.7193 8.7201 9.8431 9.8435 10.2588 10.2771 18.1636 18.1686 21.2842 21.2849 23.0787 23.0822 23.7571 23.7641 k =-0.1807 0.1813 0.7083 ( 830 PWs) bands (ev): 0.4377 0.4389 4.9430 4.9571 5.4169 5.4246 5.5988 5.6419 6.2832 6.2884 7.6602 7.6677 8.6483 8.6494 9.9027 9.9031 10.2667 10.2842 17.9646 17.9700 21.1810 21.1817 23.2878 23.2931 23.9421 23.9515 k =-0.1732 0.1737 0.7083 ( 826 PWs) bands (ev): 0.4241 0.4252 4.9519 4.9636 5.4302 5.4376 5.6246 5.6648 6.2862 6.2912 7.6709 7.6786 8.5777 8.5790 9.9605 9.9612 10.2759 10.2926 17.7636 17.7693 21.0818 21.0825 23.4977 23.5047 24.1350 24.1466 k =-0.1656 0.1662 0.7083 ( 825 PWs) bands (ev): 0.4097 0.4107 4.9597 4.9694 5.4466 5.4537 5.6511 5.6885 6.2896 6.2945 7.6826 7.6905 8.5074 8.5089 10.0166 10.0174 10.2865 10.3023 17.5620 17.5681 20.9867 20.9873 23.7065 23.7150 24.3360 24.3496 k =-0.1581 0.1586 0.7083 ( 825 PWs) bands (ev): 0.3946 0.3955 4.9665 4.9744 5.4660 5.4726 5.6780 5.7127 6.2934 6.2982 7.6954 7.7034 8.4377 8.4394 10.0706 10.0716 10.2984 10.3133 17.3612 17.3675 20.8956 20.8963 23.9125 23.9223 24.5452 24.5605 k =-0.1506 0.1511 0.7083 ( 825 PWs) bands (ev): 0.3791 0.3799 4.9720 4.9784 5.4881 5.4940 5.7053 5.7375 6.2978 6.3025 7.7091 7.7173 8.3687 8.3705 10.1224 10.1238 10.3119 10.3257 17.1621 17.1687 20.8087 20.8094 24.1151 24.1256 24.7624 24.7789 k =-0.1431 0.1435 0.7083 ( 825 PWs) bands (ev): 0.3632 0.3640 4.9765 4.9817 5.5125 5.5177 5.7327 5.7626 6.3027 6.3073 7.7236 7.7321 8.3006 8.3024 10.1717 10.1735 10.3271 10.3398 16.9658 16.9725 20.7260 20.7267 24.3137 24.3247 24.9868 25.0040 k =-0.1355 0.1359 0.7083 ( 825 PWs) bands (ev): 0.3472 0.3480 4.9799 4.9841 5.5388 5.5431 5.7602 5.7878 6.3083 6.3128 7.7387 7.7475 8.2337 8.2354 10.2179 10.2205 10.3446 10.3558 16.7730 16.7798 20.6475 20.6481 24.5084 24.5195 25.2172 25.2348 k =-0.1280 0.1284 0.7083 ( 824 PWs) bands (ev): 0.3311 0.3319 4.9824 4.9858 5.5666 5.5700 5.7875 5.8130 6.3146 6.3189 7.7542 7.7634 8.1683 8.1698 10.2605 10.2641 10.3647 10.3742 16.5844 16.5913 20.5732 20.5739 24.6993 24.7101 25.4525 25.4701 k =-0.1205 0.1208 0.7083 ( 826 PWs) bands (ev): 0.3152 0.3159 4.9841 4.9869 5.5952 5.5978 5.8145 5.8381 6.3217 6.3258 7.7694 7.7794 8.1050 8.1060 10.2986 10.3037 10.3882 10.3955 16.4008 16.4076 20.5032 20.5038 24.8865 24.8970 25.6913 25.7087 k =-0.1129 0.1133 0.7083 ( 824 PWs) bands (ev): 0.2996 0.3002 4.9852 4.9875 5.6243 5.6261 5.8411 5.8627 6.3296 6.3335 7.7835 7.7945 8.0448 8.0449 10.3316 10.3385 10.4155 10.4204 16.2227 16.2295 20.4375 20.4381 25.0703 25.0802 25.9324 25.9493 k =-0.1054 0.1057 0.7083 ( 824 PWs) bands (ev): 0.2843 0.2849 4.9859 4.9877 5.6534 5.6544 5.8669 5.8869 6.3384 6.3421 7.7942 7.8068 7.9883 7.9899 10.3601 10.3683 10.4460 10.4489 16.0509 16.0576 20.3760 20.3765 25.2506 25.2598 26.1746 26.1910 k =-0.0979 0.0982 0.7083 ( 824 PWs) bands (ev): 0.2696 0.2701 4.9861 4.9876 5.6820 5.6824 5.8920 5.9102 6.3481 6.3515 7.7963 7.8112 7.9417 7.9454 10.3853 10.3941 10.4783 10.4798 15.8860 15.8926 20.3187 20.3193 25.4271 25.4355 26.4169 26.4325 k =-0.0904 0.0906 0.7083 ( 826 PWs) bands (ev): 0.2555 0.2560 4.9860 4.9873 5.7095 5.7097 5.9160 5.9327 6.3588 6.3619 7.7811 7.7965 7.9160 7.9204 10.4084 10.4173 10.5108 10.5115 15.7288 15.7352 20.2658 20.2663 25.5995 25.6072 26.6581 26.6729 k =-0.0828 0.0831 0.7083 ( 823 PWs) bands (ev): 0.2421 0.2426 4.9858 4.9868 5.7356 5.7362 5.9390 5.9542 6.3705 6.3731 7.7467 7.7600 7.9141 7.9165 10.4302 10.4388 10.5425 10.5428 15.5799 15.5861 20.2171 20.2176 25.7673 25.7742 26.8973 26.9112 k =-0.0753 0.0755 0.7083 ( 819 PWs) bands (ev): 0.2296 0.2300 4.9854 4.9862 5.7602 5.7611 5.9606 5.9744 6.3830 6.3852 7.7025 7.7137 7.9239 7.9245 10.4510 10.4592 10.5729 10.5729 15.4401 15.4460 20.1727 20.1731 25.9296 25.9358 27.1333 27.1463 k =-0.0678 0.0680 0.7083 ( 819 PWs) bands (ev): 0.2180 0.2184 4.9849 4.9856 5.7830 5.7841 5.9809 5.9932 6.3963 6.3980 7.6558 7.6656 7.9371 7.9376 10.4709 10.4785 10.6013 10.6014 15.3102 15.3157 20.1325 20.1330 26.0856 26.0910 27.3648 27.3768 k =-0.0602 0.0604 0.7083 ( 818 PWs) bands (ev): 0.2074 0.2077 4.9844 4.9849 5.8037 5.8050 5.9996 6.0105 6.4101 6.4114 7.6099 7.6186 7.9512 7.9522 10.4898 10.4966 10.6276 10.6278 15.1909 15.1960 20.0966 20.0970 26.2339 26.2385 27.5904 27.6012 k =-0.0527 0.0529 0.7083 ( 817 PWs) bands (ev): 0.1979 0.1982 4.9838 4.9843 5.8223 5.8235 6.0165 6.0261 6.4242 6.4250 7.5664 7.5742 7.9653 7.9666 10.5074 10.5135 10.6517 10.6518 15.0832 15.0878 20.0650 20.0654 26.3729 26.3769 27.8078 27.8174 k =-0.0452 0.0453 0.7083 ( 814 PWs) bands (ev): 0.1895 0.1898 4.9833 4.9837 5.8385 5.8396 6.0317 6.0398 6.4381 6.4385 7.5265 7.5333 7.9786 7.9799 10.5235 10.5288 10.6732 10.6733 14.9877 14.9918 20.0376 20.0379 26.5010 26.5042 28.0137 28.0219 k =-0.0376 0.0378 0.7083 ( 816 PWs) bands (ev): 0.1824 0.1826 4.9829 4.9832 5.8522 5.8532 6.0448 6.0516 6.4514 6.4515 7.4910 7.4968 7.9906 7.9919 10.5378 10.5422 10.6919 10.6920 14.9053 14.9088 20.0144 20.0147 26.6159 26.6185 28.2026 28.2092 k =-0.0301 0.0302 0.7083 ( 816 PWs) bands (ev): 0.1765 0.1766 4.9825 4.9827 5.8634 5.8643 6.0559 6.0613 6.4633 6.4635 7.4606 7.4655 8.0009 8.0020 10.5500 10.5536 10.7076 10.7077 14.8368 14.8397 19.9955 19.9957 26.7152 26.7172 28.3647 28.3695 k =-0.0226 0.0227 0.7083 ( 816 PWs) bands (ev): 0.1718 0.1719 4.9822 4.9823 5.8722 5.8728 6.0648 6.0688 6.4735 6.4737 7.4362 7.4399 8.0092 8.0101 10.5599 10.5626 10.7201 10.7202 14.7828 14.7850 19.9808 19.9809 26.7963 26.7977 28.4858 28.4885 k =-0.0151 0.0151 0.7083 ( 814 PWs) bands (ev): 0.1685 0.1686 4.9819 4.9820 5.8784 5.8789 6.0714 6.0741 6.4813 6.4816 7.4183 7.4209 8.0154 8.0160 10.5672 10.5690 10.7293 10.7293 14.7439 14.7454 19.9703 19.9704 26.8566 26.8575 28.5571 28.5583 k =-0.0075 0.0076 0.7083 ( 814 PWs) bands (ev): 0.1665 0.1665 4.9818 4.9819 5.8822 5.8825 6.0757 6.0770 6.4863 6.4864 7.4077 7.4090 8.0192 8.0195 10.5719 10.5728 10.7348 10.7348 14.7205 14.7213 19.9640 19.9641 26.8939 26.8944 28.5893 28.5896 k = 0.0000 0.0000 0.7083 ( 814 PWs) bands (ev): 0.1658 0.1658 4.9818 4.9818 5.8836 5.8836 6.0775 6.0775 6.4880 6.4880 7.4045 7.4045 8.0206 8.0206 10.5737 10.5737 10.7367 10.7367 14.7130 14.7130 19.9619 19.9619 26.9067 26.9067 28.5981 28.5981 k = 0.0000 0.0000 0.7083 ( 814 PWs) bands (ev): 0.1658 0.1658 4.9818 4.9818 5.8836 5.8836 6.0775 6.0775 6.4880 6.4880 7.4045 7.4045 8.0206 8.0206 10.5737 10.5737 10.7367 10.7367 14.7130 14.7130 19.9619 19.9619 26.9067 26.9067 28.5981 28.5981 k = 0.0076 0.0076 0.7083 ( 820 PWs) bands (ev): 0.1664 0.1665 4.9800 4.9837 5.8795 5.8851 6.0755 6.0772 6.4854 6.4872 7.4076 7.4090 8.0192 8.0196 10.5604 10.5842 10.7237 10.7456 14.7203 14.7215 19.9640 19.9641 26.8944 26.8950 28.5685 28.5852 k = 0.0152 0.0151 0.7083 ( 820 PWs) bands (ev): 0.1683 0.1686 4.9783 4.9857 5.8731 5.8844 6.0712 6.0745 6.4797 6.4832 7.4181 7.4209 8.0156 8.0163 10.5444 10.5917 10.7070 10.7506 14.7436 14.7460 19.9704 19.9706 26.8587 26.8598 28.4977 28.5249 k = 0.0227 0.0227 0.7083 ( 822 PWs) bands (ev): 0.1716 0.1719 4.9767 4.9879 5.8642 5.8813 6.0646 6.0696 6.4711 6.4762 7.4356 7.4398 8.0098 8.0108 10.5258 10.5961 10.6868 10.7516 14.7825 14.7860 19.9811 19.9814 26.8009 26.8023 28.3863 28.4153 k = 0.0303 0.0302 0.7083 ( 818 PWs) bands (ev): 0.1761 0.1766 4.9752 4.9902 5.8530 5.8759 6.0557 6.0626 6.4603 6.4669 7.4598 7.4652 8.0020 8.0031 10.5049 10.5974 10.6635 10.7486 14.8366 14.8411 19.9961 19.9965 26.7230 26.7247 28.2390 28.2644 k = 0.0379 0.0378 0.7083 ( 818 PWs) bands (ev): 0.1819 0.1825 4.9737 4.9926 5.8394 5.8680 6.0447 6.0534 6.4478 6.4557 7.4898 7.4964 7.9923 7.9935 10.4820 10.5951 10.6380 10.7419 14.9053 14.9107 20.0154 20.0159 26.6274 26.6292 28.0635 28.0840 k = 0.0455 0.0453 0.7083 ( 816 PWs) bands (ev): 0.1889 0.1896 4.9723 4.9952 5.8232 5.8577 6.0316 6.0423 6.4341 6.4433 7.5251 7.5326 7.9809 7.9822 10.4574 10.5872 10.6128 10.7318 14.9879 14.9942 20.0390 20.0396 26.5167 26.5185 27.8674 27.8834 k = 0.0530 0.0529 0.7083 ( 814 PWs) bands (ev): 0.1970 0.1979 4.9710 4.9978 5.8047 5.8451 6.0165 6.0292 6.4200 6.4302 7.5647 7.5733 7.9684 7.9695 10.4312 10.5671 10.5949 10.7184 15.0837 15.0907 20.0670 20.0676 26.3931 26.3948 27.6560 27.6685 k = 0.0606 0.0604 0.7083 ( 814 PWs) bands (ev): 0.2063 0.2073 4.9696 5.0006 5.7839 5.8302 5.9995 6.0145 6.4057 6.4168 7.6079 7.6177 7.9548 7.9558 10.4038 10.5368 10.5830 10.7020 15.1918 15.1995 20.0992 20.0998 26.2590 26.2604 27.4332 27.4432 k = 0.0682 0.0680 0.7083 ( 814 PWs) bands (ev): 0.2166 0.2177 4.9683 5.0035 5.7609 5.8130 5.9808 5.9981 6.3918 6.4037 7.6537 7.6649 7.9407 7.9420 10.3754 10.5029 10.5710 10.6830 15.3115 15.3197 20.1358 20.1364 26.1160 26.1172 27.2016 27.2100 k = 0.0758 0.0755 0.7083 ( 814 PWs) bands (ev): 0.2280 0.2291 4.9669 5.0064 5.7359 5.7938 5.9606 5.9802 6.3785 6.3910 7.7007 7.7137 7.9268 7.9296 10.3462 10.4670 10.5576 10.6616 15.4418 15.4505 20.1767 20.1773 25.9661 25.9670 26.9631 26.9708 k = 0.0833 0.0831 0.7083 ( 814 PWs) bands (ev): 0.2402 0.2415 4.9653 5.0094 5.7092 5.7728 5.9390 5.9609 6.3659 6.3789 7.7460 7.7619 7.9156 7.9210 10.3163 10.4297 10.5428 10.6382 15.5820 15.5911 20.2220 20.2225 25.8104 25.8112 26.7190 26.7268 k = 0.0909 0.0906 0.7083 ( 818 PWs) bands (ev): 0.2532 0.2546 4.9637 5.0124 5.6809 5.7503 5.9161 5.9405 6.3543 6.3676 7.7833 7.8026 7.9136 7.9224 10.2857 10.3913 10.5267 10.6131 15.7312 15.7408 20.2715 20.2720 25.6502 25.6510 26.4705 26.4788 k = 0.0985 0.0982 0.7083 ( 818 PWs) bands (ev): 0.2670 0.2685 4.9618 5.0153 5.6515 5.7265 5.8922 5.9190 6.3436 6.3572 7.8029 7.8221 7.9348 7.9435 10.2545 10.3517 10.5096 10.5868 15.8889 15.8987 20.3254 20.3258 25.4865 25.4875 26.2187 26.2277 k = 0.1061 0.1057 0.7083 ( 820 PWs) bands (ev): 0.2813 0.2830 4.9598 5.0181 5.6213 5.7019 5.8673 5.8966 6.3339 6.3477 7.8038 7.8195 7.9799 7.9852 10.2224 10.3109 10.4917 10.5595 16.0541 16.0641 20.3836 20.3840 25.3202 25.3215 25.9643 25.9741 k = 0.1136 0.1133 0.7083 ( 818 PWs) bands (ev): 0.2962 0.2979 4.9574 5.0207 5.5908 5.6768 5.8417 5.8735 6.3252 6.3390 7.7947 7.8078 8.0360 8.0387 10.1894 10.2690 10.4734 10.5317 16.2262 16.2364 20.4461 20.4464 25.1521 25.1537 25.7081 25.7187 k = 0.1212 0.1208 0.7083 ( 824 PWs) bands (ev): 0.3114 0.3132 4.9547 5.0229 5.5602 5.6516 5.8154 5.8498 6.3174 6.3312 7.7817 7.7931 8.0967 8.0980 10.1552 10.2259 10.4550 10.5039 16.4045 16.4149 20.5127 20.5132 24.9828 24.9847 25.4507 25.4621 k = 0.1288 0.1284 0.7083 ( 826 PWs) bands (ev): 0.3269 0.3288 4.9516 5.0247 5.5302 5.6267 5.7887 5.8258 6.3104 6.3241 7.7673 7.7777 8.1600 8.1607 10.1196 10.1813 10.4366 10.4765 16.5884 16.5988 20.5836 20.5843 24.8128 24.8151 25.1928 25.2049 k = 0.1364 0.1359 0.7083 ( 826 PWs) bands (ev): 0.3425 0.3445 4.9480 5.0259 5.5011 5.6025 5.7617 5.8016 6.3042 6.3178 7.7525 7.7623 8.2249 8.2257 10.0822 10.1353 10.4186 10.4500 16.7771 16.7876 20.6586 20.6597 24.6427 24.6451 24.9351 24.9479 k = 0.1439 0.1435 0.7083 ( 824 PWs) bands (ev): 0.3580 0.3601 4.9440 5.0263 5.4736 5.5794 5.7346 5.7774 6.2988 6.3121 7.7379 7.7473 8.2912 8.2922 10.0428 10.0878 10.4009 10.4249 16.9700 16.9804 20.7379 20.7394 24.4726 24.4750 24.6786 24.6918 k = 0.1515 0.1511 0.7083 ( 824 PWs) bands (ev): 0.3734 0.3756 4.9394 5.0256 5.4481 5.5577 5.7076 5.7533 6.2940 6.3071 7.7238 7.7331 8.3586 8.3597 10.0012 10.0386 10.3837 10.4018 17.1663 17.1767 20.8212 20.8233 24.3025 24.3037 24.4251 24.4380 k = 0.1591 0.1586 0.7083 ( 820 PWs) bands (ev): 0.3885 0.3907 4.9344 5.0238 5.4253 5.5377 5.6807 5.7296 6.2898 6.3026 7.7105 7.7197 8.4270 8.4281 9.9572 9.9878 10.3666 10.3812 17.3651 17.3755 20.9087 20.9114 24.1231 24.1296 24.1823 24.1919 k = 0.1667 0.1662 0.7083 ( 822 PWs) bands (ev): 0.4031 0.4054 4.9288 5.0205 5.4056 5.5197 5.6542 5.7064 6.2861 6.2987 7.6980 7.7072 8.4960 8.4970 9.9107 9.9353 10.3495 10.3636 17.5656 17.5758 21.0001 21.0037 23.9016 23.9207 23.9803 23.9908 k = 0.1742 0.1737 0.7083 ( 826 PWs) bands (ev): 0.4170 0.4194 4.9228 5.0158 5.3893 5.5039 5.6281 5.6839 6.2828 6.2952 7.6865 7.6957 8.5655 8.5665 9.8617 9.8811 10.3329 10.3486 17.7667 17.7767 21.0954 21.1000 23.6596 23.6799 23.8108 23.8208 k = 0.1818 0.1813 0.7083 ( 826 PWs) bands (ev): 0.4302 0.4326 4.9165 5.0096 5.3768 5.4904 5.6027 5.6623 6.2800 6.2921 7.6761 7.6853 8.6354 8.6363 9.8103 9.8253 10.3175 10.3358 17.9670 17.9768 21.1944 21.2003 23.4192 23.4405 23.6469 23.6571 k = 0.1894 0.1888 0.7083 ( 826 PWs) bands (ev): 0.4424 0.4450 4.9101 5.0023 5.3682 5.4792 5.5780 5.6417 6.2777 6.2895 7.6667 7.6759 8.7055 8.7064 9.7566 9.7679 10.3036 10.3246 18.1648 18.1744 21.2971 21.3046 23.1848 23.2075 23.4858 23.4967 k = 0.1970 0.1964 0.7083 ( 826 PWs) bands (ev): 0.4536 0.4562 4.9037 4.9941 5.3634 5.4704 5.5542 5.6224 6.2756 6.2872 7.6584 7.6677 8.7758 8.7765 9.7006 9.7091 10.2915 10.3149 18.3581 18.3673 21.4030 21.4127 22.9590 22.9837 23.3274 23.3393 k = 0.2045 0.2039 0.7083 ( 824 PWs) bands (ev): 0.4636 0.4662 4.8977 4.9855 5.3621 5.4637 5.5314 5.6044 6.2740 6.2853 7.6513 7.6606 8.8459 8.8467 9.6427 9.6488 10.2811 10.3065 18.5440 18.5528 21.5117 21.5246 22.7448 22.7723 23.1718 23.1850 k = 0.2121 0.2115 0.7083 ( 824 PWs) bands (ev): 0.4723 0.4749 4.8921 4.9771 5.3641 5.4589 5.5099 5.5881 6.2726 6.2837 7.6452 7.6545 8.9160 8.9167 9.5829 9.5872 10.2724 10.2995 18.7187 18.7271 21.6222 21.6399 22.5461 22.5779 23.0192 23.0341 k = 0.2197 0.2190 0.7083 ( 824 PWs) bands (ev): 0.4795 0.4822 4.8872 4.9694 5.3690 5.4553 5.4900 5.5737 6.2714 6.2825 7.6402 7.6496 8.9857 8.9863 9.5214 9.5245 10.2654 10.2938 18.8773 18.8853 21.7326 21.7581 22.3680 22.4069 22.8700 22.8873 k = 0.2273 0.2266 0.7083 ( 828 PWs) bands (ev): 0.4853 0.4880 4.8832 4.9628 5.3765 5.4510 5.4736 5.5617 6.2706 6.2815 7.6363 7.6457 9.0551 9.0555 9.4583 9.4608 10.2600 10.2894 19.0135 19.0210 21.8371 21.8781 22.2173 22.2705 22.7248 22.7454 k = 0.2348 0.2341 0.7083 ( 826 PWs) bands (ev): 0.4894 0.4921 4.8802 4.9578 5.3861 5.4418 5.4646 5.5524 6.2700 6.2808 7.6335 7.6430 9.1237 9.1240 9.3939 9.3965 10.2562 10.2863 19.1196 19.1266 21.9178 21.9920 22.1079 22.1918 22.5854 22.6110 k = 0.2424 0.2417 0.7083 ( 828 PWs) bands (ev): 0.4919 0.4947 4.8784 4.9547 5.3972 5.4285 5.4620 5.5465 6.2697 6.2804 7.6319 7.6414 9.1900 9.1917 9.3287 9.3327 10.2539 10.2844 19.1875 19.1943 21.9447 22.0059 22.1363 22.1999 22.4581 22.4920 k = 0.2500 0.2492 0.7083 ( 828 PWs) bands (ev): 0.4928 0.4955 4.8778 4.9537 5.4055 5.4191 5.4616 5.5445 6.2695 6.2803 7.6314 7.6408 9.2373 9.2470 9.2742 9.2863 10.2531 10.2837 19.2110 19.2176 21.9434 21.9835 22.2073 22.2291 22.3866 22.4288 k = 0.2500 0.2492 0.7083 ( 828 PWs) bands (ev): 0.4928 0.4955 4.8778 4.9537 5.4055 5.4191 5.4616 5.5445 6.2695 6.2803 7.6314 7.6408 9.2373 9.2470 9.2742 9.2863 10.2531 10.2837 19.2110 19.2176 21.9434 21.9835 22.2073 22.2291 22.3866 22.4288 k = 0.2446 0.2547 0.7008 ( 830 PWs) bands (ev): 0.4931 0.4959 4.8773 4.9531 5.4026 5.4207 5.4604 5.5449 6.2688 6.2796 7.6238 7.6336 9.2256 9.2535 9.2674 9.2996 10.2659 10.2965 19.2105 19.2172 21.9046 21.9343 22.2423 22.2679 22.3916 22.4404 k = 0.2391 0.2601 0.6933 ( 830 PWs) bands (ev): 0.4942 0.4969 4.8760 4.9514 5.3961 5.4232 5.4571 5.5460 6.2669 6.2777 7.6020 7.6127 9.2025 9.2249 9.2975 9.3272 10.3030 10.3335 19.2091 19.2161 21.8182 21.8358 22.2977 22.3436 22.4142 22.4781 k = 0.2337 0.2656 0.6857 ( 828 PWs) bands (ev): 0.4960 0.4987 4.8739 4.9487 5.3876 5.4246 5.4523 5.5476 6.2636 6.2745 7.5672 7.5793 9.1668 9.1832 9.3448 9.3713 10.3609 10.3914 19.2068 19.2143 21.7141 21.7239 22.3432 22.3888 22.4847 22.5433 k = 0.2283 0.2710 0.6782 ( 826 PWs) bands (ev): 0.4985 0.5012 4.8708 4.9448 5.3776 5.4236 5.4471 5.5492 6.2592 6.2702 7.5215 7.5354 9.1208 9.1334 9.4066 9.4315 10.4358 10.4662 19.2037 19.2119 21.6028 21.6072 22.3792 22.4148 22.5812 22.6261 k = 0.2228 0.2765 0.6707 ( 832 PWs) bands (ev): 0.5016 0.5043 4.8669 4.9398 5.3661 5.4186 5.4429 5.5505 6.2537 6.2648 7.4671 7.4830 9.0681 9.0786 9.4812 9.5054 10.5238 10.5542 19.1999 19.2089 21.4875 21.4889 22.4130 22.4420 22.6795 22.7151 k = 0.2174 0.2819 0.6631 ( 828 PWs) bands (ev): 0.5055 0.5082 4.8621 4.9338 5.3533 5.4098 5.4401 5.5514 6.2474 6.2586 7.4062 7.4242 9.0119 9.0212 9.5667 9.5910 10.6223 10.6527 19.1953 19.2053 21.3682 21.3719 22.4486 22.4736 22.7743 22.8039 k = 0.2120 0.2874 0.6556 ( 824 PWs) bands (ev): 0.5101 0.5127 4.8565 4.9267 5.3390 5.3980 5.4376 5.5514 6.2403 6.2516 7.3406 7.3608 8.9544 8.9630 9.6615 9.6861 10.7289 10.7594 19.1903 19.2015 21.2481 21.2547 22.4877 22.5102 22.8634 22.8888 k = 0.2065 0.2928 0.6480 ( 824 PWs) bands (ev): 0.5153 0.5179 4.8501 4.9186 5.3231 5.3840 5.4347 5.5506 6.2325 6.2439 7.2718 7.2943 8.8970 8.9053 9.7641 9.7894 10.8422 10.8727 19.1848 19.1973 21.1281 21.1373 22.5309 22.5518 22.9448 22.9673 k = 0.2011 0.2983 0.6405 ( 826 PWs) bands (ev): 0.5211 0.5237 4.8429 4.9095 5.3056 5.3682 5.4309 5.5486 6.2244 6.2358 7.2012 7.2259 8.8409 8.8490 9.8735 9.8994 10.9608 10.9913 19.1790 19.1931 21.0084 21.0202 22.5785 22.5984 23.0168 23.0372 k = 0.1957 0.3037 0.6330 ( 828 PWs) bands (ev): 0.5276 0.5302 4.8348 4.8994 5.2863 5.3507 5.4262 5.5454 6.2160 6.2275 7.1298 7.1566 8.7867 8.7948 9.9886 10.0152 11.0838 11.1144 19.1730 19.1889 20.8894 20.9037 22.6304 22.6499 23.0776 23.0965 k = 0.1902 0.3092 0.6254 ( 826 PWs) bands (ev): 0.5347 0.5372 4.8259 4.8884 5.2654 5.3317 5.4204 5.5409 6.2077 6.2191 7.0585 7.0872 8.7350 8.7431 10.1088 10.1360 11.2106 11.2411 19.1670 19.1848 20.7711 20.7880 22.6865 22.7061 23.1251 23.1432 k = 0.1848 0.3147 0.6179 ( 826 PWs) bands (ev): 0.5424 0.5449 4.8163 4.8764 5.2426 5.3112 5.4134 5.5350 6.1994 6.2109 6.9880 7.0185 8.6860 8.6941 10.2333 10.2611 11.3405 11.3709 19.1611 19.1811 20.6538 20.6734 22.7466 22.7668 23.1574 23.1754 k = 0.1793 0.3201 0.6104 ( 826 PWs) bands (ev): 0.5506 0.5531 4.8059 4.8635 5.2182 5.2892 5.4052 5.5275 6.1915 6.2028 6.9190 6.9509 8.6399 8.6481 10.3618 10.3901 11.4729 11.5032 19.1554 19.1779 20.5376 20.5599 22.8100 22.8318 23.1728 23.1917 k = 0.1739 0.3256 0.6028 ( 824 PWs) bands (ev): 0.5594 0.5618 4.7948 4.8498 5.1920 5.2657 5.3957 5.5186 6.1839 6.1952 6.8519 6.8850 8.5968 8.6051 10.4937 10.5226 11.6074 11.6376 19.1501 19.1755 20.4225 20.4478 22.8757 22.9008 23.1697 23.1913 k = 0.1685 0.3310 0.5953 ( 824 PWs) bands (ev): 0.5687 0.5710 4.7829 4.8352 5.1643 5.2409 5.3849 5.5079 6.1768 6.1880 6.7873 6.8212 8.5568 8.5650 10.6288 10.6581 11.7436 11.7736 19.1451 19.1738 20.3086 20.3372 22.9405 22.9734 23.1473 23.1761 k = 0.1630 0.3365 0.5877 ( 826 PWs) bands (ev): 0.5784 0.5808 4.7703 4.8198 5.1353 5.2148 5.3726 5.4956 6.1703 6.1814 6.7255 6.7598 8.5196 8.5279 10.7668 10.7965 11.8810 11.9108 19.1407 19.1731 20.1961 20.2283 22.9922 23.0459 23.1086 23.1576 k = 0.1576 0.3419 0.5802 ( 824 PWs) bands (ev): 0.5886 0.5909 4.7569 4.8036 5.1050 5.1876 5.3589 5.4815 6.1643 6.1754 6.6669 6.7013 8.4854 8.4937 10.9074 10.9374 12.0194 12.0488 19.1368 19.1736 20.0849 20.1213 22.9932 23.0345 23.1374 23.1737 k = 0.1522 0.3474 0.5727 ( 824 PWs) bands (ev): 0.5992 0.6014 4.7428 4.7865 5.0738 5.1595 5.3436 5.4655 6.1589 6.1700 6.6118 6.6457 8.4539 8.4622 11.0503 11.0806 12.1582 12.1873 19.1334 19.1754 19.9750 20.0163 22.9335 22.9547 23.2191 23.2351 k = 0.1467 0.3528 0.5651 ( 826 PWs) bands (ev): 0.6101 0.6123 4.7279 4.7687 5.0420 5.1306 5.3266 5.4477 6.1541 6.1652 6.5604 6.5935 8.4251 8.4333 11.1954 11.2260 12.2972 12.3258 19.1304 19.1787 19.8664 19.9137 22.8421 22.8558 23.3057 23.3144 k = 0.1413 0.3583 0.5576 ( 828 PWs) bands (ev): 0.6214 0.6235 4.7121 4.7500 5.0097 5.1012 5.3081 5.4281 6.1497 6.1610 6.5128 6.5447 8.3988 8.4069 11.3426 11.3733 12.4360 12.4641 19.1274 19.1835 19.7592 19.8138 22.7313 22.7412 23.3954 23.4011 k = 0.1359 0.3637 0.5500 ( 826 PWs) bands (ev): 0.6329 0.6350 4.6956 4.7306 4.9774 5.0716 5.2880 5.4066 6.1459 6.1574 6.4693 6.4996 8.3749 8.3828 11.4916 11.5224 12.5742 12.6017 19.1238 19.1901 19.6532 19.7174 22.6061 22.6135 23.4879 23.4922 k = 0.1304 0.3692 0.5425 ( 826 PWs) bands (ev): 0.6447 0.6467 4.6781 4.7105 4.9454 5.0419 5.2664 5.3835 6.1425 6.1543 6.4298 6.4582 8.3532 8.3610 11.6423 11.6731 12.7114 12.7383 19.1185 19.1986 19.5484 19.6257 22.4698 22.4752 23.5828 23.5865 k = 0.1250 0.3746 0.5350 ( 826 PWs) bands (ev): 0.6567 0.6586 4.6597 4.6895 4.9139 5.0124 5.2434 5.3587 6.1396 6.1517 6.3943 6.4206 8.3335 8.3411 11.7944 11.8252 12.8472 12.8735 19.1095 19.2090 19.4447 19.5408 22.3250 22.3286 23.6797 23.6832 k = 0.1196 0.3801 0.5274 ( 826 PWs) bands (ev): 0.6688 0.6706 4.6404 4.6679 4.8834 4.9833 5.2192 5.3324 6.1369 6.1494 6.3628 6.3866 8.3158 8.3232 11.9479 11.9786 12.9812 13.0068 19.0930 19.2211 19.3423 19.4664 22.1739 22.1760 23.7784 23.7817 k = 0.1141 0.3855 0.5199 ( 826 PWs) bands (ev): 0.6809 0.6827 4.6200 4.6457 4.8540 4.9546 5.1940 5.3050 6.1346 6.1475 6.3349 6.3563 8.2998 8.3070 12.1025 12.1332 13.1131 13.1379 19.0640 19.2285 19.2475 19.4074 22.0177 22.0202 23.8783 23.8816 k = 0.1087 0.3910 0.5124 ( 826 PWs) bands (ev): 0.6931 0.6948 4.5988 4.6229 4.8261 4.9267 5.1681 5.2766 6.1324 6.1459 6.3106 6.3295 8.2854 8.2924 12.2581 12.2886 13.2424 13.2663 19.0181 19.1373 19.2538 19.3684 21.8584 21.8629 23.9789 23.9822 k = 0.1033 0.3964 0.5048 ( 826 PWs) bands (ev): 0.7052 0.7069 4.5766 4.5997 4.7997 4.8995 5.1419 5.2476 6.1305 6.1445 6.2896 6.3060 8.2726 8.2793 12.4144 12.4447 13.3687 13.3917 18.9552 19.0367 19.2719 19.3492 21.6981 21.7054 24.0797 24.0831 k = 0.0978 0.4019 0.4973 ( 826 PWs) bands (ev): 0.7173 0.7189 4.5538 4.5761 4.7749 4.8731 5.1155 5.2182 6.1288 6.1433 6.2715 6.2856 8.2611 8.2675 12.5712 12.6013 13.4916 13.5137 18.8796 18.9360 19.2918 19.3459 21.5385 21.5490 24.1799 24.1834 k = 0.0924 0.4073 0.4897 ( 826 PWs) bands (ev): 0.7292 0.7307 4.5306 4.5524 4.7518 4.8475 5.0895 5.1887 6.1272 6.1421 6.2561 6.2682 8.2508 8.2570 12.7283 12.7580 13.6106 13.6317 18.7956 18.8352 19.3127 19.3541 21.3809 21.3952 24.2788 24.2824 k = 0.0870 0.4128 0.4822 ( 826 PWs) bands (ev): 0.7408 0.7422 4.5071 4.5287 4.7304 4.8228 5.0642 5.1595 6.1258 6.1410 6.2431 6.2534 8.2417 8.2476 12.8853 12.9147 13.7254 13.7454 18.7062 18.7341 19.3342 19.3711 21.2266 21.2453 24.3754 24.3791 k = 0.0815 0.4182 0.4747 ( 828 PWs) bands (ev): 0.7522 0.7535 4.4837 4.5053 4.7104 4.7989 5.0397 5.1308 6.1246 6.1398 6.2321 6.2411 8.2337 8.2392 13.0420 13.0709 13.8355 13.8544 18.6131 18.6325 19.3563 19.3944 21.0769 21.1005 24.4686 24.4724 k = 0.0761 0.4237 0.4671 ( 826 PWs) bands (ev): 0.7633 0.7645 4.4607 4.4822 4.6919 4.7758 5.0166 5.1030 6.1235 6.1387 6.2230 6.2309 8.2266 8.2318 13.1978 13.2263 13.9404 13.9583 18.5172 18.5303 19.3795 19.4222 20.9328 20.9620 24.5570 24.5610 k = 0.0707 0.4291 0.4596 ( 828 PWs) bands (ev): 0.7739 0.7750 4.4384 4.4597 4.6748 4.7535 4.9948 5.0761 6.1225 6.1374 6.2155 6.2226 8.2203 8.2252 13.3524 13.3803 14.0399 14.0566 18.4190 18.4273 19.4038 19.4529 20.7954 20.8310 24.6391 24.6434 k = 0.0652 0.4346 0.4521 ( 828 PWs) bands (ev): 0.7840 0.7851 4.4170 4.4380 4.6589 4.7321 4.9747 5.0506 6.1218 6.1362 6.2093 6.2158 8.2148 8.2194 13.5052 13.5323 14.1335 14.1491 18.3188 18.3238 19.4292 19.4856 20.6658 20.7084 24.7134 24.7180 k = 0.0598 0.4400 0.4445 ( 828 PWs) bands (ev): 0.7936 0.7946 4.3967 4.4172 4.6443 4.7116 4.9564 5.0265 6.1212 6.1348 6.2044 6.2104 8.2100 8.2142 13.6554 13.6818 14.2209 14.2354 18.2170 18.2201 19.4552 19.5195 20.5447 20.5950 24.7782 24.7831 k = 0.0543 0.4455 0.4370 ( 828 PWs) bands (ev): 0.8027 0.8036 4.3778 4.3976 4.6309 4.6922 4.9400 5.0039 6.1208 6.1335 6.2005 6.2060 8.2059 8.2097 13.8022 13.8277 14.3018 14.3151 18.1137 18.1170 19.4813 19.5537 20.4331 20.4917 24.8322 24.8374 k = 0.0489 0.4509 0.4294 ( 828 PWs) bands (ev): 0.8110 0.8118 4.3604 4.3792 4.6188 4.6738 4.9255 4.9831 6.1205 6.1322 6.1975 6.2025 8.2023 8.2058 13.9447 13.9691 14.3758 14.3881 18.0103 18.0147 19.5069 19.5873 20.3318 20.3989 24.8742 24.8797 k = 0.0435 0.4564 0.4219 ( 832 PWs) bands (ev): 0.8187 0.8194 4.3447 4.3622 4.6080 4.6566 4.9128 4.9640 6.1203 6.1309 6.1951 6.1997 8.1993 8.2024 14.0815 14.1047 14.4428 14.4539 17.9084 17.9139 19.5312 19.6194 20.2416 20.3171 24.9040 24.9096 k = 0.0380 0.4618 0.4144 ( 830 PWs) bands (ev): 0.8256 0.8262 4.3308 4.3467 4.5985 4.6408 4.9022 4.9469 6.1204 6.1297 6.1935 6.1975 8.1968 8.1995 14.2111 14.2329 14.5024 14.5125 17.8095 17.8157 19.5539 19.6484 20.1634 20.2463 24.9223 24.9279 k = 0.0326 0.4673 0.4068 ( 828 PWs) bands (ev): 0.8317 0.8322 4.3187 4.3329 4.5904 4.6264 4.8934 4.9316 6.1206 6.1286 6.1923 6.1958 8.1947 8.1971 14.3316 14.3518 14.5546 14.5637 17.7155 17.7221 19.5745 19.6728 20.0984 20.1864 24.9306 24.9360 k = 0.0272 0.4727 0.3993 ( 830 PWs) bands (ev): 0.8369 0.8374 4.3087 4.3209 4.5838 4.6137 4.8865 4.9182 6.1208 6.1276 6.1914 6.1943 8.1930 8.1950 14.4408 14.4591 14.5991 14.6075 17.6288 17.6353 19.5927 19.6904 20.0479 20.1367 24.9313 24.9362 k = 0.0217 0.4782 0.3917 ( 828 PWs) bands (ev): 0.8412 0.8416 4.3006 4.3106 4.5788 4.6026 4.8814 4.9067 6.1212 6.1266 6.1909 6.1932 8.1917 8.1933 14.5358 14.5521 14.6361 14.6440 17.5520 17.5579 19.6089 19.6995 20.0131 20.0964 24.9271 24.9313 k = 0.0163 0.4836 0.3842 ( 826 PWs) bands (ev): 0.8447 0.8449 4.2946 4.3023 4.5755 4.5932 4.8782 4.8971 6.1217 6.1257 6.1906 6.1923 8.1908 8.1920 14.6130 14.6273 14.6660 14.6739 17.4880 17.4930 19.6236 19.6993 19.9939 20.0641 24.9206 24.9239 k = 0.0109 0.4891 0.3767 ( 828 PWs) bands (ev): 0.8471 0.8473 4.2907 4.2959 4.5739 4.5856 4.8768 4.8893 6.1222 6.1249 6.1905 6.1916 8.1902 8.1910 14.6660 14.6758 14.6946 14.7007 17.4399 17.4435 19.6374 19.6915 19.9881 20.0384 24.9143 24.9166 k = 0.0054 0.4946 0.3691 ( 828 PWs) bands (ev): 0.8486 0.8487 4.2889 4.2915 4.5741 4.5799 4.8772 4.8834 6.1228 6.1241 6.1905 6.1911 8.1899 8.1903 14.6903 14.6930 14.7241 14.7262 17.4103 17.4122 19.6512 19.6793 19.9920 20.0182 24.9100 24.9112 k = 0.0000 0.5000 0.3616 ( 826 PWs) bands (ev): 0.8492 0.8492 4.2891 4.2891 4.5761 4.5761 4.8794 4.8794 6.1234 6.1234 6.1907 6.1907 8.1899 8.1899 14.6971 14.6971 14.7361 14.7361 17.4008 17.4008 19.6653 19.6653 20.0026 20.0026 24.9088 24.9088 k = 0.0000 0.5000 0.3616 ( 826 PWs) bands (ev): 0.8492 0.8492 4.2891 4.2891 4.5761 4.5761 4.8794 4.8794 6.1234 6.1234 6.1907 6.1907 8.1899 8.1899 14.6971 14.6971 14.7361 14.7361 17.4008 17.4008 19.6653 19.6653 20.0026 20.0026 24.9088 24.9088 k = 0.0093 0.5032 0.3572 ( 824 PWs) bands (ev): 0.8487 0.8488 4.2885 4.2917 4.5766 4.5770 4.8790 4.8819 6.1227 6.1241 6.1909 6.1910 8.1898 8.1905 14.6861 14.6862 14.7314 14.7316 17.4097 17.4108 19.6683 19.6683 20.0019 20.0021 24.9112 24.9121 k = 0.0186 0.5064 0.3528 ( 826 PWs) bands (ev): 0.8474 0.8476 4.2898 4.2960 4.5786 4.5793 4.8805 4.8864 6.1220 6.1246 6.1913 6.1915 8.1899 8.1914 14.6527 14.6528 14.7185 14.7186 17.4367 17.4390 19.6765 19.6766 20.0006 20.0010 24.9187 24.9205 k = 0.0279 0.5095 0.3484 ( 824 PWs) bands (ev): 0.8453 0.8455 4.2930 4.3023 4.5820 4.5832 4.8841 4.8930 6.1213 6.1251 6.1921 6.1924 8.1905 8.1927 14.5976 14.5978 14.6983 14.6984 17.4804 17.4837 19.6883 19.6884 20.0010 20.0017 24.9304 24.9330 k = 0.0372 0.5127 0.3440 ( 826 PWs) bands (ev): 0.8424 0.8427 4.2981 4.3102 4.5867 4.5885 4.8897 4.9015 6.1205 6.1256 6.1933 6.1938 8.1915 8.1944 14.5229 14.5233 14.6709 14.6712 17.5381 17.5424 19.7004 19.7005 20.0070 20.0080 24.9443 24.9477 k = 0.0465 0.5159 0.3396 ( 828 PWs) bands (ev): 0.8387 0.8390 4.3051 4.3199 4.5927 4.5952 4.8973 4.9120 6.1196 6.1260 6.1949 6.1956 8.1928 8.1964 14.4312 14.4317 14.6366 14.6371 17.6069 17.6121 19.7089 19.7090 20.0234 20.0247 24.9580 24.9622 k = 0.0557 0.5191 0.3352 ( 827 PWs) bands (ev): 0.8342 0.8346 4.3139 4.3313 4.6000 4.6033 4.9069 4.9244 6.1188 6.1263 6.1969 6.1979 8.1946 8.1990 14.3251 14.3256 14.5958 14.5965 17.6835 17.6895 19.7110 19.7110 20.0545 20.0559 24.9687 24.9735 k = 0.0650 0.5223 0.3308 ( 827 PWs) bands (ev): 0.8289 0.8294 4.3246 4.3442 4.6085 4.6129 4.9185 4.9388 6.1180 6.1266 6.1995 6.2008 8.1969 8.2019 14.2067 14.2072 14.5489 14.5498 17.7644 17.7712 19.7067 19.7068 20.1015 20.1031 24.9733 24.9787 k = 0.0743 0.5254 0.3264 ( 832 PWs) bands (ev): 0.8230 0.8235 4.3369 4.3586 4.6181 4.6238 4.9321 4.9549 6.1172 6.1268 6.2025 6.2044 8.1997 8.2054 14.0782 14.0786 14.4963 14.4974 17.8463 17.8537 19.6991 19.6992 20.1635 20.1653 24.9691 24.9750 k = 0.0836 0.5286 0.3220 ( 832 PWs) bands (ev): 0.8164 0.8169 4.3509 4.3743 4.6289 4.6361 4.9475 4.9729 6.1165 6.1270 6.2063 6.2088 8.2030 8.2094 13.9412 13.9415 14.4387 14.4399 17.9255 17.9334 19.6924 19.6925 20.2385 20.2404 24.9540 24.9602 k = 0.0929 0.5318 0.3176 ( 826 PWs) bands (ev): 0.8092 0.8097 4.3666 4.3913 4.6408 4.6497 4.9647 4.9925 6.1159 6.1272 6.2109 6.2141 8.2069 8.2140 13.7971 13.7973 14.3764 14.3778 17.9985 18.0068 19.6912 19.6913 20.3246 20.3266 24.9265 24.9331 k = 0.1022 0.5350 0.3132 ( 826 PWs) bands (ev): 0.8014 0.8019 4.3836 4.4093 4.6538 4.6645 4.9837 5.0136 6.1154 6.1275 6.2163 6.2204 8.2115 8.2192 13.6470 13.6471 14.3100 14.3115 18.0618 18.0702 19.6995 19.6999 20.4202 20.4222 24.8865 24.8933 k = 0.1115 0.5382 0.3088 ( 826 PWs) bands (ev): 0.7930 0.7936 4.4020 4.4284 4.6679 4.6806 5.0043 5.0360 6.1151 6.1278 6.2228 6.2278 8.2167 8.2252 13.4920 13.4920 14.2400 14.2415 18.1121 18.1206 19.7209 19.7218 20.5241 20.5262 24.8343 24.8413 k = 0.1208 0.5414 0.3044 ( 828 PWs) bands (ev): 0.7841 0.7847 4.4215 4.4482 4.6830 4.6979 5.0264 5.0597 6.1150 6.1282 6.2303 6.2364 8.2228 8.2318 13.3328 13.3330 14.1668 14.1684 18.1471 18.1554 19.7583 19.7598 20.6354 20.6376 24.7711 24.7784 k = 0.1301 0.5445 0.3000 ( 827 PWs) bands (ev): 0.7748 0.7754 4.4421 4.4686 4.6992 4.7165 5.0498 5.0844 6.1151 6.1288 6.2391 6.2465 8.2296 8.2393 13.1701 13.1704 14.0909 14.0926 18.1658 18.1737 19.8127 19.8151 20.7533 20.7556 24.6986 24.7061 k = 0.1394 0.5477 0.2956 ( 827 PWs) bands (ev): 0.7651 0.7657 4.4635 4.4896 4.7166 4.7363 5.0743 5.1099 6.1156 6.1296 6.2494 6.2581 8.2374 8.2477 13.0046 13.0051 14.0126 14.0144 18.1684 18.1759 19.8841 19.8874 20.8773 20.8796 24.6184 24.6262 k = 0.1487 0.5509 0.2912 ( 827 PWs) bands (ev): 0.7551 0.7557 4.4856 4.5108 4.7352 4.7574 5.0998 5.1360 6.1163 6.1305 6.2612 6.2715 8.2463 8.2572 12.8368 12.8375 13.9325 13.9343 18.1564 18.1633 19.9710 19.9753 21.0066 21.0090 24.5322 24.5402 k = 0.1579 0.5541 0.2868 ( 828 PWs) bands (ev): 0.7447 0.7453 4.5081 4.5322 4.7550 4.7797 5.1259 5.1624 6.1174 6.1318 6.2749 6.2868 8.2562 8.2676 12.6672 12.6680 13.8508 13.8527 18.1318 18.1381 20.0714 20.0767 21.1409 21.1434 24.4415 24.4499 k = 0.1672 0.5573 0.2824 ( 830 PWs) bands (ev): 0.7340 0.7346 4.5309 4.5536 4.7761 4.8032 5.1525 5.1890 6.1189 6.1333 6.2905 6.3041 8.2674 8.2793 12.4961 12.4970 13.7678 13.7697 18.0970 18.1028 20.1828 20.1891 21.2796 21.2822 24.3478 24.3565 k = 0.1765 0.5604 0.2780 ( 832 PWs) bands (ev): 0.7232 0.7237 4.5537 4.5747 4.7986 4.8279 5.1793 5.2153 6.1208 6.1351 6.3084 6.3238 8.2798 8.2923 12.3240 12.3250 13.6839 13.6858 18.0541 18.0593 20.3027 20.3100 21.4224 21.4250 24.2523 24.2613 k = 0.1858 0.5636 0.2736 ( 831 PWs) bands (ev): 0.7121 0.7126 4.5763 4.5957 4.8225 4.8538 5.2060 5.2413 6.1231 6.1373 6.3287 6.3459 8.2937 8.3067 12.1511 12.1522 13.5993 13.6013 18.0050 18.0098 20.4290 20.4372 21.5689 21.5715 24.1563 24.1657 k = 0.1951 0.5668 0.2692 ( 829 PWs) bands (ev): 0.7009 0.7014 4.5985 4.6162 4.8477 4.8809 5.2324 5.2667 6.1258 6.1398 6.3517 6.3706 8.3092 8.3225 11.9779 11.9791 13.5143 13.5163 17.9513 17.9557 20.5596 20.5687 21.7185 21.7212 24.0610 24.0708 k = 0.2044 0.5700 0.2648 ( 829 PWs) bands (ev): 0.6896 0.6900 4.6202 4.6362 4.8742 4.9088 5.2583 5.2914 6.1290 6.1426 6.3774 6.3981 8.3264 8.3401 11.8046 11.8059 13.4291 13.4311 17.8942 17.8982 20.6926 20.7025 21.8711 21.8738 23.9674 23.9776 k = 0.2137 0.5732 0.2604 ( 829 PWs) bands (ev): 0.6782 0.6786 4.6413 4.6556 4.9021 4.9377 5.2835 5.3151 6.1325 6.1458 6.4060 6.4283 8.3454 8.3593 11.6316 11.6330 13.3439 13.3458 17.8347 17.8385 20.8263 20.8370 22.0262 22.0290 23.8768 23.8873 k = 0.2230 0.5763 0.2560 ( 831 PWs) bands (ev): 0.6667 0.6671 4.6616 4.6744 4.9310 4.9672 5.3078 5.3377 6.1364 6.1493 6.4376 6.4613 8.3663 8.3805 11.4592 11.4606 13.2589 13.2608 17.7737 17.7771 20.9588 20.9702 22.1834 22.1863 23.7905 23.8014 k = 0.2323 0.5795 0.2516 ( 829 PWs) bands (ev): 0.6552 0.6556 4.6812 4.6926 4.9610 4.9973 5.3312 5.3593 6.1408 6.1532 6.4722 6.4971 8.3893 8.4036 11.2876 11.2890 13.1744 13.1762 17.7117 17.7149 21.0882 21.1001 22.3424 22.3453 23.7100 23.7212 k = 0.2416 0.5827 0.2472 ( 827 PWs) bands (ev): 0.6437 0.6440 4.6999 4.7101 4.9918 5.0277 5.3536 5.3797 6.1455 6.1574 6.5098 6.5356 8.4145 8.4289 11.1173 11.1187 13.0904 13.0922 17.6492 17.6521 21.2122 21.2248 22.5027 22.5058 23.6372 23.6486 k = 0.2509 0.5859 0.2428 ( 827 PWs) bands (ev): 0.6322 0.6325 4.7178 4.7269 5.0231 5.0582 5.3749 5.3989 6.1506 6.1619 6.5503 6.5767 8.4420 8.4563 10.9486 10.9500 13.0071 13.0089 17.5866 17.5893 21.3286 21.3415 22.6640 22.6671 23.5740 23.5855 k = 0.2601 0.5891 0.2384 ( 825 PWs) bands (ev): 0.6208 0.6210 4.7349 4.7430 5.0548 5.0887 5.3952 5.4172 6.1560 6.1667 6.5936 6.6202 8.4718 8.4861 10.7819 10.7832 12.9247 12.9264 17.5242 17.5266 21.4345 21.4476 22.8256 22.8289 23.5229 23.5342 k = 0.2694 0.5922 0.2340 ( 827 PWs) bands (ev): 0.6093 0.6096 4.7511 4.7584 5.0866 5.1188 5.4146 5.4344 6.1617 6.1718 6.6393 6.6658 8.5040 8.5180 10.6176 10.6188 12.8434 12.8450 17.4621 17.4644 21.5270 21.5400 22.9869 22.9905 23.4867 23.4975 k = 0.2787 0.5954 0.2297 ( 827 PWs) bands (ev): 0.5980 0.5982 4.7666 4.7730 5.1182 5.1484 5.4332 5.4508 6.1677 6.1771 6.6873 6.7132 8.5386 8.5522 10.4563 10.4573 12.7632 12.7647 17.4006 17.4027 21.6032 21.6157 23.1470 23.1512 23.4683 23.4778 k = 0.2880 0.5986 0.2253 ( 827 PWs) bands (ev): 0.5867 0.5868 4.7812 4.7870 5.1494 5.1772 5.4510 5.4665 6.1740 6.1826 6.7373 6.7623 8.5753 8.5885 10.2987 10.2995 12.6842 12.6857 17.3399 17.3417 21.6607 21.6723 23.3037 23.3093 23.4712 23.4783 k = 0.2973 0.6018 0.2209 ( 829 PWs) bands (ev): 0.5754 0.5755 4.7952 4.8002 5.1799 5.2050 5.4683 5.4817 6.1804 6.1883 6.7888 6.8125 8.6139 8.6265 10.1456 10.1462 12.6067 12.6080 17.2799 17.2816 21.6980 21.7085 23.4409 23.4534 23.5105 23.5116 k = 0.3066 0.6050 0.2165 ( 827 PWs) bands (ev): 0.5642 0.5643 4.8083 4.8128 5.2095 5.2316 5.4852 5.4964 6.1870 6.1941 6.8415 6.8634 8.6537 8.6656 9.9982 9.9985 12.5308 12.5319 17.2209 17.2224 21.7152 21.7242 23.5102 23.5213 23.6350 23.6364 k = 0.3159 0.6081 0.2121 ( 827 PWs) bands (ev): 0.5530 0.5531 4.8208 4.8246 5.2379 5.2569 5.5017 5.5108 6.1937 6.1999 6.8949 6.9146 8.6938 8.7049 9.8581 9.8581 12.4564 12.4575 17.1628 17.1641 21.7138 21.7213 23.5695 23.5775 23.7844 23.7844 k = 0.3252 0.6113 0.2077 ( 825 PWs) bands (ev): 0.5419 0.5420 4.8326 4.8357 5.2651 5.2807 5.5180 5.5251 6.2004 6.2057 6.9483 6.9655 8.7323 8.7424 9.7277 9.7280 12.3838 12.3847 17.1058 17.1069 21.6964 21.7022 23.6390 23.6449 23.9311 23.9316 k = 0.3345 0.6145 0.2033 ( 823 PWs) bands (ev): 0.5308 0.5309 4.8437 4.8462 5.2907 5.3030 5.5340 5.5392 6.2072 6.2115 7.0010 7.0154 8.7662 8.7749 9.6111 9.6117 12.3131 12.3138 17.0499 17.0507 21.6658 21.6701 23.7170 23.7212 24.0734 24.0740 k = 0.3438 0.6177 0.1989 ( 823 PWs) bands (ev): 0.5198 0.5198 4.8541 4.8560 5.3146 5.3237 5.5498 5.5533 6.2138 6.2171 7.0523 7.0634 8.7903 8.7974 9.5143 9.5151 12.2443 12.2449 16.9950 16.9957 21.6250 21.6280 23.8002 23.8029 24.2097 24.2102 k = 0.3531 0.6209 0.1945 ( 823 PWs) bands (ev): 0.5086 0.5086 4.8640 4.8653 5.3369 5.3427 5.5652 5.5673 6.2203 6.2225 7.1010 7.1086 8.7978 8.8028 9.4457 9.4463 12.1775 12.1779 16.9414 16.9419 21.5766 21.5784 23.8851 23.8866 24.3387 24.3391 k = 0.3623 0.6241 0.1901 ( 821 PWs) bands (ev): 0.4975 0.4975 4.8732 4.8739 5.3574 5.3602 5.5803 5.5812 6.2265 6.2277 7.1458 7.1498 8.7827 8.7853 9.4123 9.4126 12.1130 12.1132 16.8890 16.8893 21.5228 21.5237 23.9687 23.9694 24.4593 24.4596 k = 0.3716 0.6272 0.1857 ( 822 PWs) bands (ev): 0.4863 0.4863 4.8819 4.8819 5.3761 5.3761 5.5948 5.5948 6.2324 6.2325 7.1852 7.1852 8.7459 8.7459 9.4148 9.4148 12.0507 12.0507 16.8379 16.8379 21.4654 21.4654 24.0487 24.0487 24.5707 24.5707 k = 0.3716 0.6272 0.1857 ( 822 PWs) bands (ev): 0.4863 0.4863 4.8819 4.8819 5.3761 5.3761 5.5948 5.5948 6.2324 6.2325 7.1852 7.1852 8.7459 8.7459 9.4148 9.4148 12.0507 12.0507 16.8379 16.8379 21.4654 21.4654 24.0487 24.0487 24.5707 24.5707 k = 0.3770 0.6219 0.1779 ( 818 PWs) bands (ev): 0.4662 0.4662 4.8957 4.8957 5.4051 5.4051 5.6195 5.6195 6.2415 6.2415 7.2453 7.2453 8.6646 8.6646 9.4496 9.4496 11.9438 11.9438 16.7476 16.7476 21.3609 21.3609 24.1852 24.1852 24.7586 24.7586 k = 0.3823 0.6165 0.1702 ( 818 PWs) bands (ev): 0.4458 0.4458 4.9082 4.9082 5.4337 5.4337 5.6449 5.6449 6.2507 6.2507 7.3055 7.3055 8.5845 8.5845 9.4893 9.4893 11.8391 11.8391 16.6546 16.6546 21.2562 21.2562 24.3235 24.3235 24.9482 24.9482 k = 0.3877 0.6111 0.1625 ( 818 PWs) bands (ev): 0.4252 0.4252 4.9194 4.9194 5.4619 5.4619 5.6710 5.6710 6.2599 6.2599 7.3651 7.3651 8.5056 8.5056 9.5338 9.5338 11.7365 11.7365 16.5589 16.5589 21.1523 21.1523 24.4634 24.4634 25.1394 25.1394 k = 0.3930 0.6058 0.1547 ( 816 PWs) bands (ev): 0.4046 0.4046 4.9294 4.9294 5.4899 5.4899 5.6977 5.6977 6.2692 6.2692 7.4236 7.4236 8.4282 8.4282 9.5835 9.5835 11.6365 11.6365 16.4603 16.4603 21.0500 21.0500 24.6047 24.6047 25.3320 25.3320 k = 0.3984 0.6004 0.1470 ( 812 PWs) bands (ev): 0.3841 0.3841 4.9382 4.9382 5.5176 5.5177 5.7247 5.7248 6.2787 6.2787 7.4803 7.4803 8.3523 8.3523 9.6384 9.6384 11.5392 11.5392 16.3590 16.3590 20.9503 20.9503 24.7473 24.7473 25.5258 25.5258 k = 0.4037 0.5950 0.1393 ( 816 PWs) bands (ev): 0.3639 0.3639 4.9456 4.9457 5.5451 5.5452 5.7521 5.7521 6.2884 6.2884 7.5346 7.5346 8.2781 8.2781 9.6983 9.6983 11.4449 11.4449 16.2550 16.2550 20.8537 20.8537 24.8909 24.8909 25.7204 25.7204 k = 0.4091 0.5897 0.1315 ( 816 PWs) bands (ev): 0.3441 0.3441 4.9519 4.9519 5.5724 5.5724 5.7796 5.7796 6.2983 6.2983 7.5860 7.5860 8.2058 8.2058 9.7633 9.7633 11.3537 11.3538 16.1485 16.1485 20.7610 20.7610 25.0354 25.0354 25.9158 25.9158 k = 0.4144 0.5843 0.1238 ( 816 PWs) bands (ev): 0.3248 0.3248 4.9571 4.9571 5.5993 5.5993 5.8071 5.8071 6.3086 6.3086 7.6338 7.6338 8.1358 8.1358 9.8329 9.8329 11.2661 11.2661 16.0400 16.0400 20.6726 20.6726 25.1804 25.1804 26.1117 26.1117 k = 0.4198 0.5789 0.1160 ( 816 PWs) bands (ev): 0.3062 0.3062 4.9612 4.9612 5.6259 5.6259 5.8344 5.8344 6.3193 6.3193 7.6775 7.6775 8.0685 8.0685 9.9068 9.9068 11.1821 11.1821 15.9298 15.9298 20.5889 20.5889 25.3256 25.3256 26.3078 26.3078 k = 0.4251 0.5736 0.1083 ( 816 PWs) bands (ev): 0.2883 0.2883 4.9644 4.9644 5.6519 5.6519 5.8613 5.8613 6.3304 6.3304 7.7157 7.7157 8.0052 8.0053 9.9843 9.9843 11.1021 11.1021 15.8184 15.8184 20.5104 20.5104 25.4707 25.4707 26.5038 26.5038 k = 0.4305 0.5682 0.1006 ( 818 PWs) bands (ev): 0.2713 0.2713 4.9667 4.9667 5.6773 5.6773 5.8875 5.8875 6.3421 6.3421 7.7459 7.7459 7.9486 7.9486 10.0649 10.0649 11.0264 11.0264 15.7065 15.7065 20.4372 20.4372 25.6152 25.6152 26.6994 26.6995 k = 0.4358 0.5629 0.0928 ( 818 PWs) bands (ev): 0.2553 0.2553 4.9684 4.9684 5.7018 5.7018 5.9129 5.9129 6.3543 6.3543 7.7606 7.7606 7.9063 7.9063 10.1474 10.1474 10.9554 10.9554 15.5949 15.5949 20.3694 20.3694 25.7587 25.7587 26.8943 26.8943 k = 0.4412 0.5575 0.0851 ( 822 PWs) bands (ev): 0.2402 0.2402 4.9693 4.9694 5.7254 5.7254 5.9373 5.9373 6.3672 6.3672 7.7473 7.7473 7.8909 7.8909 10.2309 10.2309 10.8893 10.8893 15.4845 15.4845 20.3072 20.3072 25.9004 25.9004 27.0878 27.0878 k = 0.4465 0.5521 0.0774 ( 824 PWs) bands (ev): 0.2262 0.2262 4.9699 4.9699 5.7477 5.7478 5.9603 5.9603 6.3806 6.3806 7.7098 7.7098 7.8993 7.8993 10.3138 10.3138 10.8288 10.8288 15.3764 15.3764 20.2507 20.2507 26.0397 26.0397 27.2793 27.2794 k = 0.4519 0.5468 0.0696 ( 824 PWs) bands (ev): 0.2134 0.2134 4.9700 4.9700 5.7687 5.7687 5.9817 5.9817 6.3946 6.3946 7.6637 7.6637 7.9160 7.9160 10.3942 10.3942 10.7749 10.7749 15.2718 15.2718 20.1998 20.1998 26.1755 26.1755 27.4682 27.4682 k = 0.4572 0.5414 0.0619 ( 824 PWs) bands (ev): 0.2018 0.2018 4.9699 4.9699 5.7881 5.7881 6.0013 6.0013 6.4089 6.4089 7.6168 7.6168 7.9339 7.9340 10.4688 10.4688 10.7296 10.7296 15.1719 15.1719 20.1546 20.1546 26.3067 26.3067 27.6531 27.6531 k = 0.4626 0.5360 0.0542 ( 824 PWs) bands (ev): 0.1914 0.1914 4.9695 4.9696 5.8057 5.8057 6.0190 6.0190 6.4234 6.4234 7.5718 7.5718 7.9508 7.9508 10.5301 10.5301 10.6992 10.6992 15.0783 15.0783 20.1149 20.1149 26.4317 26.4317 27.8325 27.8325 k = 0.4679 0.5307 0.0464 ( 822 PWs) bands (ev): 0.1823 0.1823 4.9691 4.9691 5.8214 5.8214 6.0346 6.0346 6.4376 6.4376 7.5304 7.5304 7.9657 7.9657 10.5602 10.5602 10.7002 10.7002 14.9924 14.9924 20.0807 20.0807 26.5488 26.5488 28.0041 28.0041 k = 0.4733 0.5253 0.0387 ( 826 PWs) bands (ev): 0.1746 0.1746 4.9686 4.9686 5.8349 5.8349 6.0478 6.0478 6.4511 6.4511 7.4934 7.4934 7.9783 7.9783 10.5545 10.5545 10.7358 10.7358 14.9159 14.9159 20.0519 20.0519 26.6557 26.6557 28.1645 28.1645 k = 0.4786 0.5199 0.0309 ( 818 PWs) bands (ev): 0.1682 0.1682 4.9681 4.9681 5.8463 5.8463 6.0588 6.0588 6.4635 6.4635 7.4617 7.4617 7.9887 7.9887 10.5364 10.5364 10.7810 10.7810 14.8504 14.8504 20.0284 20.0284 26.7496 26.7496 28.3088 28.3088 k = 0.4840 0.5146 0.0232 ( 818 PWs) bands (ev): 0.1632 0.1632 4.9677 4.9677 5.8552 5.8552 6.0674 6.0674 6.4740 6.4740 7.4360 7.4360 7.9967 7.9967 10.5185 10.5185 10.8218 10.8218 14.7975 14.7975 20.0103 20.0103 26.8276 26.8276 28.4305 28.4305 k = 0.4893 0.5092 0.0155 ( 818 PWs) bands (ev): 0.1597 0.1597 4.9673 4.9673 5.8616 5.8616 6.0735 6.0735 6.4820 6.4820 7.4172 7.4172 8.0024 8.0024 10.5047 10.5047 10.8530 10.8530 14.7586 14.7586 19.9974 19.9974 26.8864 26.8864 28.5224 28.5224 k = 0.4947 0.5038 0.0077 ( 814 PWs) bands (ev): 0.1575 0.1575 4.9671 4.9671 5.8655 5.8655 6.0772 6.0772 6.4871 6.4871 7.4056 7.4056 8.0058 8.0058 10.4960 10.4960 10.8725 10.8725 14.7348 14.7348 19.9896 19.9896 26.9231 26.9231 28.5789 28.5789 k = 0.5000 0.4985 0.0000 ( 810 PWs) bands (ev): 0.1568 0.1568 4.9671 4.9671 5.8669 5.8669 6.0784 6.0784 6.4889 6.4889 7.4017 7.4017 8.0070 8.0070 10.4931 10.4931 10.8791 10.8791 14.7268 14.7268 19.9870 19.9870 26.9356 26.9356 28.5978 28.5978 k = 0.5000 0.4985 0.0000 ( 810 PWs) bands (ev): 0.1568 0.1568 4.9671 4.9671 5.8669 5.8669 6.0784 6.0784 6.4889 6.4889 7.4017 7.4017 8.0070 8.0070 10.4931 10.4931 10.8791 10.8791 14.7268 14.7268 19.9870 19.9870 26.9356 26.9356 28.5978 28.5978 k = 0.4923 0.4908 0.0000 ( 814 PWs) bands (ev): 0.1565 0.1565 4.9669 4.9676 5.8663 5.8671 6.0763 6.0780 6.4870 6.4892 7.3679 7.3687 8.0406 8.0445 10.4946 10.4952 10.8803 10.8813 14.7290 14.7298 19.9878 19.9880 26.9306 26.9315 28.5546 28.5557 k = 0.4846 0.4831 0.0000 ( 814 PWs) bands (ev): 0.1555 0.1557 4.9671 4.9686 5.8654 5.8671 6.0716 6.0750 6.4838 6.4882 7.2848 7.2855 8.1290 8.1358 10.4996 10.5007 10.8849 10.8868 14.7363 14.7379 19.9904 19.9907 26.9167 26.9185 28.4462 28.4476 k = 0.4769 0.4755 0.0000 ( 814 PWs) bands (ev): 0.1540 0.1542 4.9677 4.9699 5.8642 5.8668 6.0643 6.0694 6.4791 6.4858 7.1774 7.1777 8.2467 8.2557 10.5082 10.5098 10.8928 10.8956 14.7488 14.7512 19.9946 19.9951 26.8938 26.8964 28.3033 28.3041 k = 0.4692 0.4678 0.0000 ( 812 PWs) bands (ev): 0.1518 0.1520 4.9686 4.9716 5.8627 5.8662 6.0542 6.0610 6.4731 6.4820 7.0595 7.0610 8.3791 8.3900 10.5202 10.5224 10.9040 10.9077 14.7666 14.7699 20.0007 20.0012 26.8617 26.8655 28.1437 28.1438 k = 0.4615 0.4601 0.0000 ( 812 PWs) bands (ev): 0.1489 0.1492 4.9700 4.9737 5.8609 5.8654 6.0410 6.0494 6.4658 6.4769 6.9389 6.9418 8.5190 8.5316 10.5356 10.5383 10.9184 10.9231 14.7899 14.7940 20.0084 20.0091 26.8206 26.8255 27.9753 27.9763 k = 0.4538 0.4525 0.0000 ( 812 PWs) bands (ev): 0.1453 0.1456 4.9717 4.9762 5.8588 5.8643 6.0242 6.0341 6.4572 6.4704 6.8196 6.8240 8.6630 8.6772 10.5544 10.5576 10.9360 10.9415 14.8188 14.8238 20.0179 20.0188 26.7704 26.7766 27.8031 27.8054 k = 0.4462 0.4448 0.0000 ( 812 PWs) bands (ev): 0.1408 0.1412 4.9737 4.9790 5.8564 5.8629 6.0032 6.0145 6.4474 6.4627 6.7043 6.7101 8.8089 8.8248 10.5764 10.5801 10.9568 10.9631 14.8535 14.8594 20.0292 20.0302 26.7110 26.7188 27.6295 27.6332 k = 0.4385 0.4371 0.0000 ( 812 PWs) bands (ev): 0.1354 0.1359 4.9761 4.9822 5.8534 5.8612 5.9772 5.9895 6.4364 6.4538 6.5952 6.6023 8.9556 8.9731 10.6016 10.6058 10.9805 10.9876 14.8943 14.9010 20.0422 20.0433 26.6424 26.6520 27.4559 27.4611 k = 0.4308 0.4295 0.0000 ( 814 PWs) bands (ev): 0.1291 0.1297 4.9789 4.9857 5.8497 5.8592 5.9453 5.9576 6.4243 6.4438 6.4947 6.5026 9.1021 9.1210 10.6298 10.6345 11.0072 11.0149 14.9414 14.9491 20.0570 20.0583 26.5646 26.5763 27.2830 27.2900 k = 0.4231 0.4218 0.0000 ( 814 PWs) bands (ev): 0.1217 0.1223 4.9819 4.9895 5.8440 5.8568 5.9074 5.9176 6.4029 6.4126 6.4132 6.4331 9.2475 9.2679 10.6610 10.6661 11.0366 11.0450 14.9952 15.0038 20.0736 20.0750 26.4776 26.4917 27.1117 27.1206 k = 0.4154 0.4141 0.0000 ( 816 PWs) bands (ev): 0.1132 0.1139 4.9853 4.9937 5.8291 5.8518 5.8697 5.8703 6.3270 6.3347 6.3979 6.4209 9.3912 9.4130 10.6949 10.7005 11.0688 11.0776 15.0559 15.0654 20.0920 20.0935 26.3816 26.3984 26.9422 26.9532 k = 0.4077 0.4064 0.0000 ( 816 PWs) bands (ev): 0.1034 0.1041 4.9890 4.9981 5.7855 5.8056 5.8519 5.8540 6.2627 6.2687 6.3831 6.4080 9.5326 9.5558 10.7316 10.7375 11.1034 11.1128 15.1238 15.1343 20.1122 20.1139 26.2768 26.2965 26.7750 26.7882 k = 0.4000 0.3988 0.0000 ( 818 PWs) bands (ev): 0.0922 0.0930 4.9929 5.0029 5.7232 5.7382 5.8450 5.8506 6.2104 6.2139 6.3677 6.3944 9.6712 9.6957 10.7707 10.7770 11.1406 11.1502 15.1994 15.2108 20.1342 20.1360 26.1633 26.1861 26.6103 26.6258 k = 0.3923 0.3911 0.0000 ( 820 PWs) bands (ev): 0.0796 0.0805 4.9971 5.0079 5.6535 5.6647 5.8401 5.8475 6.1676 6.1684 6.3516 6.3800 9.8065 9.8322 10.8123 10.8189 11.1799 11.1898 15.2828 15.2952 20.1581 20.1600 26.0417 26.0674 26.4484 26.4659 k = 0.3846 0.3834 0.0000 ( 820 PWs) bands (ev): 0.0654 0.0664 5.0015 5.0131 5.5805 5.5884 5.8357 5.8443 6.1301 6.1320 6.3350 6.3651 9.9382 9.9647 10.8560 10.8629 11.2214 11.2314 15.3744 15.3877 20.1838 20.1859 25.9124 25.9408 26.2895 26.3087 k = 0.3769 0.3758 0.0000 ( 820 PWs) bands (ev): 0.0495 0.0506 5.0061 5.0186 5.5066 5.5117 5.8314 5.8410 6.0970 6.1014 6.3180 6.3496 10.0657 10.0931 10.9018 10.9089 11.2649 11.2748 15.4745 15.4886 20.2114 20.2136 25.7760 25.8065 26.1336 26.1542 k = 0.3692 0.3681 0.0000 ( 822 PWs) bands (ev): 0.0319 0.0331 5.0109 5.0242 5.4338 5.4363 5.8271 5.8376 6.0676 6.0743 6.3005 6.3336 10.1889 10.2168 10.9495 10.9567 11.3103 11.3199 15.5832 15.5982 20.2408 20.2432 25.6331 25.6649 25.9810 26.0024 k = 0.3615 0.3604 0.0000 ( 825 PWs) bands (ev): 0.0125 0.0137 5.0159 5.0300 5.3636 5.3638 5.8227 5.8340 6.0409 6.0496 6.2829 6.3173 10.3074 10.3356 10.9989 11.0061 11.3573 11.3666 15.7008 15.7165 20.2722 20.2747 25.4843 25.5163 25.8319 25.8534 k = 0.3538 0.3528 0.0000 ( 831 PWs) bands (ev): -0.0088 -0.0075 5.0210 5.0360 5.2947 5.2966 5.8182 5.8303 6.0162 6.0267 6.2649 6.3007 10.4211 10.4493 11.0499 11.0570 11.4059 11.4147 15.8272 15.8436 20.3055 20.3081 25.3298 25.3612 25.6862 25.7073 k = 0.3462 0.3451 0.0000 ( 831 PWs) bands (ev): -0.0321 -0.0307 5.0262 5.0420 5.2300 5.2338 5.8137 5.8265 5.9931 6.0052 6.2469 6.2839 10.5298 10.5578 11.1022 11.1091 11.4558 11.4639 15.9627 15.9797 20.3408 20.3434 25.1701 25.2000 25.5443 25.5644 k = 0.3385 0.3374 0.0000 ( 831 PWs) bands (ev): -0.0573 -0.0558 5.0314 5.0481 5.1700 5.1756 5.8091 5.8226 5.9713 5.9848 6.2288 6.2670 10.6336 10.6611 11.1558 11.1624 11.5070 11.5143 16.1071 16.1246 20.3780 20.3808 25.0053 25.0329 25.4063 25.4251 k = 0.3308 0.3298 0.0000 ( 831 PWs) bands (ev): -0.0845 -0.0829 5.0366 5.0538 5.1152 5.1222 5.8044 5.8187 5.9505 5.9653 6.2108 6.2500 10.7324 10.7590 11.2103 11.2165 11.5592 11.5657 16.2603 16.2782 20.4172 20.4201 24.8356 24.8605 25.2724 25.2896 k = 0.3231 0.3221 0.0000 ( 831 PWs) bands (ev): -0.1137 -0.1120 5.0410 5.0542 5.0709 5.0747 5.7996 5.8147 5.9307 5.9466 6.1928 6.2330 10.8263 10.8518 11.2657 11.2713 11.6124 11.6179 16.4221 16.4403 20.4584 20.4614 24.6612 24.6832 25.1426 25.1582 k = 0.3154 0.3144 0.0000 ( 835 PWs) bands (ev): -0.1448 -0.1431 5.0173 5.0270 5.0508 5.0691 5.7946 5.8105 5.9118 5.9286 6.1750 6.2159 10.9154 10.9396 11.3217 11.3266 11.6663 11.6708 16.5924 16.6107 20.5017 20.5047 24.4825 24.5013 25.0172 25.0311 k = 0.3077 0.3068 0.0000 ( 833 PWs) bands (ev): -0.1778 -0.1761 4.9780 4.9904 5.0546 5.0748 5.7895 5.8064 5.8940 5.9115 6.1573 6.1991 11.0000 11.0226 11.3781 11.3823 11.7209 11.7243 16.7707 16.7890 20.5470 20.5501 24.2997 24.3156 24.8962 24.9086 k = 0.3000 0.2991 0.0000 ( 833 PWs) bands (ev): -0.2127 -0.2109 4.9434 4.9575 5.0597 5.0809 5.7841 5.8021 5.8772 5.8951 6.1400 6.1823 11.0801 11.1011 11.4349 11.4382 11.7758 11.7783 16.9567 16.9749 20.5943 20.5976 24.1133 24.1264 24.7798 24.7908 k = 0.2923 0.2914 0.0000 ( 841 PWs) bands (ev): -0.2493 -0.2474 4.9137 4.9295 5.0649 5.0870 5.7782 5.7977 5.8616 5.8796 6.1228 6.1657 11.1560 11.1754 11.4917 11.4941 11.8311 11.8326 17.1500 17.1679 20.6437 20.6470 23.9240 23.9344 24.6681 24.6777 k = 0.2846 0.2837 0.0000 ( 841 PWs) bands (ev): -0.2875 -0.2856 4.8890 4.9064 5.0702 5.0931 5.7719 5.7932 5.8474 5.8650 6.1061 6.1494 11.2279 11.2458 11.5485 11.5501 11.8864 11.8871 17.3499 17.3675 20.6954 20.6987 23.7323 23.7402 24.5611 24.5696 k = 0.2769 0.2761 0.0000 ( 841 PWs) bands (ev): -0.3272 -0.3253 4.8689 4.8880 5.0754 5.0992 5.7650 5.7884 5.8347 5.8515 6.0897 6.1333 11.2962 11.3127 11.6051 11.6059 11.9417 11.9417 17.5560 17.5731 20.7491 20.7525 23.5389 23.5446 24.4590 24.4665 k = 0.2692 0.2684 0.0000 ( 839 PWs) bands (ev): -0.3683 -0.3663 4.8534 4.8742 5.0805 5.1050 5.7572 5.7833 5.8237 5.8392 6.0737 6.1175 11.3612 11.3763 11.6614 11.6616 11.9962 11.9968 17.7674 17.7839 20.8051 20.8084 23.3446 23.3484 24.3618 24.3684 k = 0.2615 0.2607 0.0000 ( 839 PWs) bands (ev): -0.4106 -0.4086 4.8422 4.8647 5.0854 5.1107 5.7487 5.7778 5.8144 5.8283 6.0581 6.1020 11.4230 11.4371 11.7168 11.7172 12.0505 12.0514 17.9835 17.9991 20.8632 20.8666 23.1503 23.1523 24.2697 24.2754 k = 0.2538 0.2531 0.0000 ( 839 PWs) bands (ev): -0.4539 -0.4518 4.8351 4.8593 5.0902 5.1162 5.7396 5.7717 5.8068 5.8189 6.0430 6.0869 11.4820 11.4954 11.7717 11.7725 12.1044 12.1055 18.2031 18.2179 20.9235 20.9269 22.9571 22.9575 24.1826 24.1875 k = 0.2462 0.2454 0.0000 ( 839 PWs) bands (ev): -0.4980 -0.4960 4.8318 4.8578 5.0948 5.1215 5.7301 5.7650 5.8007 5.8111 6.0284 6.0721 11.5385 11.5514 11.8261 11.8271 12.1577 12.1590 18.4251 18.4388 20.9861 20.9894 22.7654 22.7664 24.1007 24.1048 k = 0.2385 0.2377 0.0000 ( 839 PWs) bands (ev): -0.5428 -0.5408 4.8321 4.8597 5.0992 5.1265 5.7206 5.7580 5.7958 5.8048 6.0143 6.0577 11.5928 11.6056 11.8799 11.8809 12.2104 12.2116 18.6478 18.6604 21.0508 21.0542 22.5774 22.5798 24.0239 24.0274 k = 0.2308 0.2301 0.0000 ( 839 PWs) bands (ev): -0.5882 -0.5862 4.8355 4.8650 5.1034 5.1313 5.7112 5.7509 5.7920 5.7998 6.0007 6.0437 11.6453 11.6582 11.9329 11.9338 12.2622 12.2632 18.8692 18.8803 21.1179 21.1212 22.3961 22.3995 23.9524 23.9552 k = 0.2231 0.2224 0.0000 ( 839 PWs) bands (ev): -0.6338 -0.6318 4.8418 4.8731 5.1074 5.1357 5.7022 5.7439 5.7889 5.7958 5.9876 6.0301 11.6963 11.7094 11.9850 11.9857 12.3131 12.3137 19.0860 19.0957 21.1871 21.1905 22.2244 22.2288 23.8861 23.8882 k = 0.2154 0.2147 0.0000 ( 839 PWs) bands (ev): -0.6796 -0.6776 4.8507 4.8838 5.1112 5.1399 5.6938 5.7373 5.7866 5.7927 5.9751 6.0169 11.7460 11.7597 12.0362 12.0365 12.3628 12.3630 19.2938 19.3020 21.2583 21.2621 22.0670 22.0722 23.8250 23.8265 k = 0.2077 0.2071 0.0000 ( 839 PWs) bands (ev): -0.7253 -0.7234 4.8618 4.8967 5.1147 5.1438 5.6863 5.7313 5.7848 5.7903 5.9631 6.0041 11.7947 11.8092 12.0861 12.0862 12.4109 12.4114 19.4861 19.4925 21.3314 21.3358 21.9309 21.9366 23.7692 23.7701 k = 0.2000 0.1994 0.0000 ( 839 PWs) bands (ev): -0.7708 -0.7689 4.8748 4.9115 5.1180 5.1473 5.6796 5.7261 5.7835 5.7885 5.9517 5.9917 11.8428 11.8582 12.1343 12.1350 12.4575 12.4586 19.6531 19.6578 21.4056 21.4116 21.8263 21.8317 23.7187 23.7188 k = 0.1923 0.1917 0.0000 ( 839 PWs) bands (ev): -0.8159 -0.8141 4.8894 4.9278 5.1212 5.1505 5.6740 5.7218 5.7827 5.7871 5.9408 5.9798 11.8904 11.9068 12.1812 12.1825 12.5025 12.5044 19.7821 19.7851 21.4795 21.4889 21.7674 21.7709 23.6727 23.6733 k = 0.1846 0.1841 0.0000 ( 839 PWs) bands (ev): -0.8604 -0.8586 4.9053 4.9453 5.1241 5.1534 5.6695 5.7185 5.7823 5.7863 5.9305 5.9683 11.9376 11.9553 12.2265 12.2286 12.5459 12.5487 19.8600 19.8614 21.5520 21.5673 21.7680 21.7682 23.6316 23.6332 k = 0.1769 0.1764 0.0000 ( 843 PWs) bands (ev): -0.9043 -0.9025 4.9220 4.9635 5.1268 5.1560 5.6663 5.7162 5.7822 5.7857 5.9207 5.9573 11.9848 12.0037 12.2703 12.2732 12.5876 12.5913 19.8793 19.8793 21.6271 21.6472 21.8300 21.8321 23.5956 23.5981 k = 0.1692 0.1687 0.0000 ( 843 PWs) bands (ev): -0.9472 -0.9456 4.9394 4.9822 5.1293 5.1582 5.6643 5.7150 5.7824 5.7856 5.9114 5.9466 12.0320 12.0523 12.3125 12.3162 12.6276 12.6324 19.8421 19.8433 21.7107 21.7310 21.9496 21.9512 23.5646 23.5682 k = 0.1615 0.1610 0.0000 ( 847 PWs) bands (ev): -0.9892 -0.9876 4.9572 5.0010 5.1316 5.1601 5.6638 5.7148 5.7829 5.7857 5.9028 5.9364 12.0792 12.1011 12.3530 12.3576 12.6658 12.6716 19.7615 19.7637 21.8011 21.8186 22.1104 22.1202 23.5384 23.5434 k = 0.1538 0.1534 0.0000 ( 847 PWs) bands (ev): -1.0300 -1.0285 4.9749 5.0197 5.1337 5.1618 5.6647 5.7159 5.7836 5.7861 5.8946 5.9267 12.1266 12.1501 12.3918 12.3973 12.7022 12.7092 19.6509 19.6539 21.8944 21.9088 22.3042 22.3246 23.5171 23.5237 k = 0.1462 0.1457 0.0000 ( 839 PWs) bands (ev): -1.0696 -1.0681 4.9926 5.0378 5.1357 5.1632 5.6671 5.7180 5.7846 5.7868 5.8871 5.9174 12.1742 12.1994 12.4289 12.4354 12.7367 12.7449 19.5213 19.5248 21.9893 22.0011 22.5200 22.5537 23.5007 23.5095 k = 0.1385 0.1380 0.0000 ( 835 PWs) bands (ev): -1.1078 -1.1064 5.0098 5.0552 5.1376 5.1643 5.6709 5.7212 5.7858 5.7877 5.8802 5.9086 12.2218 12.2489 12.4643 12.4718 12.7693 12.7788 19.3803 19.3843 22.0855 22.0953 22.7473 22.7989 23.4897 23.5013 k = 0.1308 0.1304 0.0000 ( 835 PWs) bands (ev): -1.1445 -1.1431 5.0264 5.0715 5.1394 5.1651 5.6762 5.7254 5.7870 5.7888 5.8737 5.9001 12.2694 12.2984 12.4980 12.5066 12.7999 12.8108 19.2332 19.2376 22.1832 22.1914 22.9736 23.0518 23.4864 23.5010 k = 0.1231 0.1227 0.0000 ( 839 PWs) bands (ev): -1.1796 -1.1783 5.0423 5.0866 5.1410 5.1657 5.6829 5.7304 5.7884 5.7900 5.8678 5.8921 12.3168 12.3477 12.5300 12.5398 12.8287 12.8410 19.0838 19.0884 22.2825 22.2892 23.1783 23.2917 23.5042 23.5134 k = 0.1154 0.1150 0.0000 ( 843 PWs) bands (ev): -1.2130 -1.2118 5.0572 5.1003 5.1427 5.1660 5.6908 5.7361 5.7899 5.7913 5.8624 5.8844 12.3637 12.3967 12.5606 12.5715 12.8555 12.8693 18.9347 18.9394 22.3834 22.3888 23.3243 23.4185 23.5484 23.6175 k = 0.1077 0.1074 0.0000 ( 843 PWs) bands (ev): -1.2446 -1.2435 5.0712 5.1125 5.1444 5.1662 5.6999 5.7425 5.7914 5.7928 5.8577 5.8773 12.4098 12.4449 12.5898 12.6019 12.8804 12.8957 18.7878 18.7925 22.4857 22.4899 23.3935 23.4414 23.5996 23.7049 k = 0.1000 0.0997 0.0000 ( 843 PWs) bands (ev): -1.2744 -1.2734 5.0842 5.1231 5.1463 5.1662 5.7099 5.7493 5.7929 5.7943 5.8534 5.8705 12.4546 12.4916 12.6182 12.6312 12.9033 12.9202 18.6446 18.6493 22.5894 22.5923 23.4225 23.4503 23.6410 23.7258 k = 0.0923 0.0920 0.0000 ( 843 PWs) bands (ev): -1.3022 -1.3013 5.0961 5.1318 5.1486 5.1660 5.7207 5.7563 5.7944 5.7959 5.8498 5.8642 12.4976 12.5359 12.6463 12.6596 12.9244 12.9429 18.5065 18.5111 22.6942 22.6958 23.4393 23.4577 23.6702 23.7384 k = 0.0846 0.0844 0.0000 ( 843 PWs) bands (ev): -1.3281 -1.3272 5.1070 5.1382 5.1517 5.1656 5.7319 5.7633 5.7959 5.7976 5.8468 5.8582 12.5381 12.5766 12.6750 12.6875 12.9436 12.9637 18.3746 18.3791 22.7997 22.7999 23.4526 23.4658 23.6926 23.7501 k = 0.0769 0.0767 0.0000 ( 855 PWs) bands (ev): -1.3519 -1.3511 5.1168 5.1424 5.1556 5.1651 5.7434 5.7700 5.7973 5.7992 5.8442 5.8527 12.5752 12.6122 12.7054 12.7154 12.9610 12.9827 18.2500 18.2543 22.9042 22.9055 23.4648 23.4746 23.7116 23.7621 k = 0.0692 0.0690 0.0000 ( 859 PWs) bands (ev): -1.3736 -1.3729 5.1256 5.1450 5.1599 5.1645 5.7549 5.7763 5.7986 5.8009 5.8423 5.8475 12.6084 12.6417 12.7378 12.7434 12.9767 12.9997 18.1336 18.1377 23.0081 23.0111 23.4768 23.4842 23.7287 23.7744 k = 0.0615 0.0614 0.0000 ( 861 PWs) bands (ev): -1.3931 -1.3925 5.1336 5.1468 5.1638 5.1640 5.7662 5.7820 5.7999 5.8026 5.8410 5.8428 12.6370 12.6655 12.7715 12.7717 12.9907 13.0149 18.0263 18.0301 23.1107 23.1155 23.4887 23.4943 23.7444 23.7869 k = 0.0538 0.0537 0.0000 ( 857 PWs) bands (ev): -1.4104 -1.4099 5.1406 5.1483 5.1632 5.1671 5.7770 5.7869 5.8011 5.8043 5.8386 5.8402 12.6612 12.6844 12.7997 12.8050 13.0031 13.0281 17.9291 17.9326 23.2107 23.2175 23.5006 23.5046 23.7589 23.7991 k = 0.0462 0.0460 0.0000 ( 861 PWs) bands (ev): -1.4255 -1.4250 5.1468 5.1496 5.1624 5.1696 5.7869 5.7909 5.8022 5.8059 5.8348 5.8397 12.6811 12.6995 12.8267 12.8365 13.0142 13.0393 17.8428 17.8460 23.3064 23.3153 23.5126 23.5149 23.7719 23.8106 k = 0.0385 0.0383 0.0000 ( 865 PWs) bands (ev): -1.4383 -1.4379 5.1508 5.1522 5.1616 5.1714 5.7941 5.7954 5.8036 5.8076 5.8315 5.8394 12.6973 12.7114 12.8519 12.8645 13.0240 13.0483 17.7683 17.7710 23.3952 23.4055 23.5256 23.5256 23.7833 23.8207 k = 0.0308 0.0307 0.0000 ( 865 PWs) bands (ev): -1.4488 -1.4485 5.1519 5.1565 5.1611 5.1724 5.7967 5.8006 5.8070 5.8092 5.8288 5.8392 12.7101 12.7206 12.8744 12.8881 13.0329 13.0551 17.7062 17.7084 23.4712 23.4791 23.5398 23.5457 23.7928 23.8289 k = 0.0231 0.0230 0.0000 ( 865 PWs) bands (ev): -1.4570 -1.4568 5.1530 5.1584 5.1623 5.1728 5.7986 5.8021 5.8107 5.8121 5.8272 5.8386 12.7199 12.7274 12.8935 12.9062 13.0408 13.0596 17.6572 17.6589 23.5159 23.5160 23.5729 23.5892 23.8008 23.8343 k = 0.0154 0.0153 0.0000 ( 865 PWs) bands (ev): -1.4629 -1.4627 5.1541 5.1580 5.1652 5.1725 5.8001 5.8025 5.8121 5.8153 5.8276 5.8374 12.7270 12.7319 12.9086 12.9183 13.0480 13.0616 17.6219 17.6230 23.5284 23.5296 23.6209 23.6383 23.8079 23.8359 k = 0.0077 0.0077 0.0000 ( 865 PWs) bands (ev): -1.4664 -1.4663 5.1551 5.1571 5.1679 5.1715 5.8012 5.8024 5.8135 5.8157 5.8301 5.8356 12.7317 12.7341 12.9191 12.9244 13.0540 13.0612 17.6007 17.6012 23.5338 23.5345 23.6581 23.6696 23.8159 23.8327 k = 0.0000 0.0000 0.0000 ( 869 PWs) bands (ev): -1.4675 -1.4675 5.1561 5.1561 5.1700 5.1700 5.8019 5.8019 5.8148 5.8148 5.8331 5.8331 12.7340 12.7340 12.9245 12.9245 13.0586 13.0586 17.5937 17.5937 23.5357 23.5357 23.6759 23.6759 23.8251 23.8251 k = 0.0000 0.0000 0.0000 ( 869 PWs) bands (ev): -1.4675 -1.4675 5.1561 5.1561 5.1700 5.1700 5.8019 5.8019 5.8148 5.8148 5.8331 5.8331 12.7340 12.7340 12.9245 12.9245 13.0586 13.0586 17.5937 17.5937 23.5357 23.5357 23.6759 23.6759 23.8251 23.8251 k = 0.0055-0.0055 0.0076 ( 865 PWs) bands (ev): -1.4664 -1.4663 5.1537 5.1581 5.1693 5.1705 5.7982 5.8043 5.8145 5.8155 5.8330 5.8331 12.7259 12.7323 12.9215 12.9237 13.0593 13.0617 17.6008 17.6013 23.5206 23.5246 23.6713 23.6769 23.8219 23.8299 k = 0.0109-0.0110 0.0152 ( 865 PWs) bands (ev): -1.4629 -1.4627 5.1508 5.1597 5.1683 5.1707 5.7933 5.8049 5.8143 5.8168 5.8329 5.8331 12.7081 12.7202 12.9154 12.9194 13.0642 13.0685 17.6222 17.6234 23.4814 23.4881 23.6637 23.6741 23.8213 23.8351 k = 0.0164-0.0164 0.0227 ( 865 PWs) bands (ev): -1.4570 -1.4568 5.1474 5.1607 5.1672 5.1708 5.7873 5.8037 5.8142 5.8187 5.8327 5.8330 12.6803 12.6968 12.9072 12.9123 13.0733 13.0790 17.6577 17.6594 23.4215 23.4292 23.6530 23.6675 23.8235 23.8401 k = 0.0218-0.0219 0.0303 ( 865 PWs) bands (ev): -1.4488 -1.4485 5.1434 5.1612 5.1659 5.1706 5.7802 5.8011 5.8142 5.8210 5.8327 5.8329 12.6421 12.6616 12.8977 12.9031 13.0868 13.0933 17.7065 17.7088 23.3453 23.3527 23.6389 23.6570 23.8278 23.8450 k = 0.0273-0.0274 0.0379 ( 867 PWs) bands (ev): -1.4382 -1.4378 5.1389 5.1611 5.1645 5.1702 5.7721 5.7971 5.8143 5.8232 5.8326 5.8329 12.5936 12.6147 12.8875 12.8924 13.1049 13.1116 17.7677 17.7707 23.2568 23.2633 23.6209 23.6424 23.8337 23.8503 k = 0.0328-0.0329 0.0455 ( 867 PWs) bands (ev): -1.4253 -1.4249 5.1337 5.1602 5.1628 5.1697 5.7629 5.7920 5.8148 5.8252 5.8324 5.8337 12.5352 12.5570 12.8763 12.8804 13.1276 13.1341 17.8404 17.8440 23.1597 23.1649 23.5985 23.6232 23.8411 23.8564 k = 0.0382-0.0383 0.0530 ( 867 PWs) bands (ev): -1.4101 -1.4096 5.1279 5.1585 5.1610 5.1691 5.7527 5.7857 5.8154 5.8265 5.8323 5.8355 12.4679 12.4898 12.8640 12.8670 13.1549 13.1608 17.9232 17.9276 23.0567 23.0607 23.5711 23.5989 23.8499 23.8635 k = 0.0437-0.0438 0.0606 ( 867 PWs) bands (ev): -1.3926 -1.3920 5.1214 5.1560 5.1590 5.1683 5.7415 5.7783 5.8164 5.8270 5.8322 5.8385 12.3926 12.4144 12.8502 12.8522 13.1866 13.1916 18.0151 18.0203 22.9502 22.9532 23.5382 23.5692 23.8600 23.8719 k = 0.0492-0.0493 0.0682 ( 867 PWs) bands (ev): -1.3729 -1.3722 5.1142 5.1527 5.1568 5.1673 5.7294 5.7699 5.8175 5.8271 5.8324 5.8423 12.3105 12.3319 12.8346 12.8357 13.2225 13.2266 18.1148 18.1209 22.8421 22.8441 23.4995 23.5334 23.8714 23.8816 k = 0.0546-0.0548 0.0758 ( 863 PWs) bands (ev): -1.3508 -1.3501 5.1062 5.1485 5.1544 5.1660 5.7165 5.7604 5.8189 5.8271 5.8331 5.8467 12.2225 12.2437 12.8172 12.8174 13.2625 13.2655 18.2212 18.2283 22.7338 22.7349 23.4545 23.4912 23.8842 23.8927 k = 0.0601-0.0603 0.0833 ( 859 PWs) bands (ev): -1.3266 -1.3257 5.0975 5.1435 5.1517 5.1642 5.7028 5.7500 5.8201 5.8271 5.8345 5.8519 12.1298 12.1506 12.7972 12.7977 13.3062 13.3082 18.3330 18.3412 22.6263 22.6266 23.4030 23.4422 23.8983 23.9052 k = 0.0655-0.0657 0.0909 ( 855 PWs) bands (ev): -1.3001 -1.2992 5.0880 5.1376 5.1487 5.1620 5.6885 5.7386 5.8212 5.8273 5.8368 5.8575 12.0332 12.0538 12.7750 12.7762 13.3536 13.3545 18.4492 18.4586 22.5202 22.5206 23.3448 23.3861 23.9137 23.9191 k = 0.0710-0.0712 0.0985 ( 851 PWs) bands (ev): -1.2715 -1.2705 5.0778 5.1309 5.1454 5.1593 5.6735 5.7262 5.8220 5.8276 5.8403 5.8638 11.9337 11.9540 12.7507 12.7525 13.4042 13.4042 18.5686 18.5794 22.4163 22.4173 23.2800 23.3229 23.9305 23.9344 k = 0.0765-0.0767 0.1061 ( 851 PWs) bands (ev): -1.2408 -1.2398 5.0667 5.1232 5.1417 5.1560 5.6579 5.7130 5.8226 5.8281 5.8448 5.8707 11.8319 11.8521 12.7242 12.7265 13.4569 13.4578 18.6902 18.7025 22.3155 22.3170 23.2087 23.2526 23.9487 23.9511 k = 0.0819-0.0822 0.1136 ( 847 PWs) bands (ev): -1.2080 -1.2069 5.0549 5.1147 5.1376 5.1521 5.6418 5.6990 5.8233 5.8289 5.8504 5.8783 11.7285 11.7486 12.6955 12.6982 13.5125 13.5143 18.8131 18.8271 22.2182 22.2203 23.1314 23.1755 23.9682 23.9691 k = 0.0874-0.0877 0.1212 ( 839 PWs) bands (ev): -1.1731 -1.1720 5.0423 5.1052 5.1331 5.1476 5.6253 5.6843 5.8240 5.8301 5.8570 5.8865 11.6243 11.6443 12.6646 12.6676 13.5705 13.5731 18.9361 18.9520 22.1249 22.1275 23.0488 23.0921 23.9884 23.9891 k = 0.0928-0.0931 0.1288 ( 839 PWs) bands (ev): -1.1363 -1.1351 5.0290 5.0948 5.1282 5.1422 5.6085 5.6689 5.8249 5.8315 5.8645 5.8953 11.5196 11.5395 12.6312 12.6347 13.6309 13.6342 19.0583 19.0764 22.0358 22.0389 22.9615 23.0031 24.0085 24.0114 k = 0.0983-0.0986 0.1364 ( 843 PWs) bands (ev): -1.0976 -1.0963 5.0149 5.0834 5.1227 5.1362 5.5914 5.6528 5.8261 5.8333 5.8728 5.9048 11.4150 11.4349 12.5955 12.5993 13.6931 13.6970 19.1788 19.1992 21.9513 21.9548 22.8706 22.9093 24.0276 24.0351 k = 0.1038-0.1041 0.1439 ( 835 PWs) bands (ev): -1.0570 -1.0556 5.0003 5.0713 5.1168 5.1294 5.5742 5.6362 5.8277 5.8356 5.8821 5.9150 11.3110 11.3309 12.5574 12.5614 13.7569 13.7614 19.2964 19.3196 21.8716 21.8756 22.7771 22.8116 23.9899 24.0105 k = 0.1092-0.1096 0.1515 ( 831 PWs) bands (ev): -1.0146 -1.0132 4.9850 5.0583 5.1103 5.1218 5.5569 5.6191 5.8296 5.8382 5.8922 5.9259 11.2079 11.2278 12.5167 12.5210 13.8219 13.8270 19.4102 19.4364 21.7967 21.8013 22.6824 22.7111 23.8048 23.8482 k = 0.1147-0.1150 0.1591 ( 831 PWs) bands (ev): -0.9704 -0.9690 4.9691 5.0444 5.1033 5.1135 5.5396 5.6016 5.8318 5.8412 5.9031 5.9373 11.1060 11.1259 12.4736 12.4782 13.8877 13.8932 19.5191 19.5487 21.7271 21.7322 22.5875 22.6090 23.6250 23.6681 k = 0.1202-0.1205 0.1667 ( 831 PWs) bands (ev): -0.9246 -0.9232 4.9528 5.0298 5.0957 5.1043 5.5224 5.5838 5.8345 5.8447 5.9148 5.9494 11.0057 11.0256 12.4280 12.4328 13.9540 13.9599 19.6219 19.6553 21.6626 21.6684 22.4938 22.5065 23.4509 23.4904 k = 0.1256-0.1260 0.1742 ( 831 PWs) bands (ev): -0.8773 -0.8758 4.9360 5.0144 5.0876 5.0944 5.5054 5.5658 5.8376 5.8485 5.9272 5.9621 10.9072 10.9272 12.3799 12.3849 14.0203 14.0265 19.7174 19.7549 21.6036 21.6102 22.4028 22.4048 23.2833 23.3170 k = 0.1311-0.1315 0.1818 ( 831 PWs) bands (ev): -0.8284 -0.8269 4.9188 4.9982 5.0789 5.0838 5.4888 5.5477 5.8412 5.8528 5.9403 5.9753 10.8107 10.8307 12.3293 12.3344 14.0862 14.0927 19.8042 19.8461 21.5500 21.5576 22.3055 22.3157 23.1227 23.1489 k = 0.1365-0.1370 0.1894 ( 831 PWs) bands (ev): -0.7782 -0.7767 4.9012 4.9814 5.0696 5.0726 5.4725 5.5297 5.8452 5.8575 5.9541 5.9891 10.7165 10.7365 12.2762 12.2815 14.1512 14.1578 19.8810 19.9275 21.5020 21.5106 22.2098 22.2339 22.9699 22.9868 k = 0.1420-0.1424 0.1970 ( 833 PWs) bands (ev): -0.7267 -0.7252 4.8834 4.9638 5.0598 5.0608 5.4567 5.5117 5.8497 5.8627 5.9684 6.0033 10.6246 10.6446 12.2206 12.2260 14.2147 14.2216 19.9462 19.9974 21.4596 21.4695 22.1191 22.1586 22.8259 22.8317 k = 0.1475-0.1479 0.2045 ( 833 PWs) bands (ev): -0.6741 -0.6725 4.8654 4.9455 5.0486 5.0496 5.4415 5.4940 5.8547 5.8682 5.9832 6.0179 10.5353 10.5553 12.1626 12.1681 14.2764 14.2834 19.9986 20.0539 21.4229 21.4342 22.0349 22.0907 22.6849 22.6918 k = 0.1529-0.1534 0.2121 ( 833 PWs) bands (ev): -0.6204 -0.6188 4.8472 4.9266 5.0362 5.0389 5.4269 5.4767 5.8601 5.8742 5.9984 6.0329 10.4487 10.4687 12.1022 12.1078 14.3357 14.3427 20.0369 20.0954 21.3919 21.4048 21.9581 22.0303 22.5481 22.5690 k = 0.1584-0.1589 0.2197 ( 833 PWs) bands (ev): -0.5658 -0.5642 4.8289 4.9069 5.0236 5.0278 5.4131 5.4599 5.8659 5.8805 6.0141 6.0482 10.3648 10.3849 12.0394 12.0451 14.3919 14.3990 20.0602 20.1204 21.3667 21.3811 21.8892 21.9767 22.4238 22.4590 k = 0.1638-0.1643 0.2273 ( 829 PWs) bands (ev): -0.5104 -0.5088 4.8106 4.8866 5.0112 5.0164 5.4001 5.4438 5.8723 5.8873 6.0300 6.0638 10.2839 10.3038 11.9743 11.9801 14.4446 14.4517 20.0682 20.1279 21.3472 21.3631 21.8281 21.9270 22.3159 22.3638 k = 0.1693-0.1698 0.2348 ( 825 PWs) bands (ev): -0.4544 -0.4528 4.7923 4.8657 4.9991 5.0049 5.3880 5.4284 5.8790 5.8944 6.0463 6.0796 10.2058 10.2257 11.9070 11.9128 14.4932 14.5003 20.0610 20.1177 21.3334 21.3507 21.7737 21.8768 22.2297 22.2854 k = 0.1748-0.1753 0.2424 ( 825 PWs) bands (ev): -0.3979 -0.3964 4.7741 4.8442 4.9875 4.9932 5.3767 5.4138 5.8861 5.9018 6.0627 6.0956 10.1307 10.1506 11.8376 11.8434 14.5371 14.5440 20.0394 20.0906 21.3253 21.3436 21.7244 21.8211 22.1700 22.2253 k = 0.1802-0.1808 0.2500 ( 825 PWs) bands (ev): -0.3412 -0.3397 4.7561 4.8222 4.9765 4.9816 5.3663 5.4000 5.8936 5.9096 6.0793 6.1117 10.0586 10.0783 11.7660 11.7719 14.5756 14.5825 20.0046 20.0479 21.3225 21.3417 21.6789 21.7591 22.1374 22.1843 k = 0.1857-0.1863 0.2576 ( 825 PWs) bands (ev): -0.2843 -0.2829 4.7383 4.8000 4.9664 4.9702 5.3569 5.3873 5.9014 5.9177 6.0960 6.1279 9.9894 10.0091 11.6925 11.6983 14.6084 14.6152 19.9583 19.9919 21.3248 21.3448 21.6371 21.6947 22.1270 22.1612 k = 0.1912-0.1917 0.2651 ( 825 PWs) bands (ev): -0.2276 -0.2262 4.7209 4.7775 4.9572 4.9591 5.3483 5.3756 5.9096 5.9261 6.1128 6.1442 9.9233 9.9429 11.6171 11.6229 14.6347 14.6414 19.9021 19.9249 21.3319 21.3527 21.5996 21.6334 22.1327 22.1538 k = 0.1966-0.1972 0.2727 ( 825 PWs) bands (ev): -0.1711 -0.1698 4.7041 4.7551 4.9485 4.9492 5.3408 5.3650 5.9180 5.9347 6.1296 6.1605 9.8603 9.8796 11.5399 11.5457 14.6543 14.6608 19.8375 19.8492 21.3434 21.3648 21.5684 21.5795 22.1492 22.1589 k = 0.2021-0.2027 0.2803 ( 829 PWs) bands (ev): -0.1152 -0.1139 4.6878 4.7329 4.9385 4.9423 5.3341 5.3554 5.9268 5.9436 6.1464 6.1768 9.8001 9.8193 11.4610 11.4668 14.6666 14.6730 19.7662 19.7669 21.3587 21.3803 21.5367 21.5454 22.1727 22.1732 k = 0.2075-0.2082 0.2879 ( 833 PWs) bands (ev): -0.0600 -0.0588 4.6724 4.7113 4.9294 4.9367 5.3284 5.3470 5.9358 5.9528 6.1631 6.1931 9.7429 9.7619 11.3804 11.3862 14.6714 14.6775 19.6798 19.6894 21.3771 21.3969 21.5088 21.5326 22.1940 22.2006 k = 0.2130-0.2137 0.2954 ( 833 PWs) bands (ev): -0.0058 -0.0047 4.6580 4.6905 4.9212 4.9326 5.3237 5.3397 5.9450 5.9621 6.1798 6.2094 9.6887 9.7075 11.2985 11.3042 14.6683 14.6742 19.5894 19.6084 21.3978 21.4104 21.5007 21.5317 22.2188 22.2309 k = 0.2185-0.2191 0.3030 ( 831 PWs) bands (ev): 0.0472 0.0482 4.6449 4.6706 4.9140 4.9299 5.3200 5.3336 5.9546 5.9718 6.1965 6.2257 9.6373 9.6558 11.2151 11.2208 14.6573 14.6629 19.4970 19.5242 21.4190 21.4206 21.5148 21.5436 22.2459 22.2622 k = 0.2239-0.2246 0.3106 ( 829 PWs) bands (ev): 0.0988 0.0996 4.6332 4.6521 4.9080 4.9288 5.3172 5.3286 5.9642 5.9815 6.2132 6.2420 9.5888 9.6070 11.1305 11.1362 14.6382 14.6435 19.4035 19.4377 21.4289 21.4465 21.5448 21.5677 22.2736 22.2934 k = 0.2294-0.2301 0.3182 ( 829 PWs) bands (ev): 0.1486 0.1493 4.6231 4.6350 4.9032 4.9293 5.3154 5.3247 5.9741 5.9913 6.2298 6.2584 9.5431 9.5609 11.0447 11.0503 14.6112 14.6160 19.3096 19.3497 21.4462 21.4773 21.5846 21.6022 22.3009 22.3233 k = 0.2348-0.2356 0.3257 ( 827 PWs) bands (ev): 0.1965 0.1971 4.6150 4.6198 4.8997 4.9315 5.3145 5.3220 5.9840 6.0013 6.2465 6.2748 9.5001 9.5176 10.9579 10.9635 14.5763 14.5807 19.2160 19.2608 21.4734 21.5150 21.6312 21.6451 22.3266 22.3514 k = 0.2403-0.2410 0.3333 ( 829 PWs) bands (ev): 0.2422 0.2426 4.6065 4.6090 4.8976 4.9355 5.3146 5.3204 5.9941 6.0114 6.2631 6.2913 9.4598 9.4769 10.8702 10.8757 14.5337 14.5375 19.1232 19.1716 21.5112 21.5607 21.6835 21.6952 22.3500 22.3769 k = 0.2458-0.2465 0.3409 ( 825 PWs) bands (ev): 0.2854 0.2856 4.5953 4.6053 4.8969 4.9413 5.3157 5.3199 6.0043 6.0216 6.2801 6.3082 9.4221 9.4388 10.7817 10.7870 14.4837 14.4870 19.0313 19.0826 21.5596 21.6150 21.7408 21.7514 22.3704 22.3993 k = 0.2512-0.2520 0.3485 ( 825 PWs) bands (ev): 0.3260 0.3260 4.5864 4.6042 4.8977 4.9490 5.3178 5.3205 6.0146 6.0319 6.2972 6.3253 9.3870 9.4032 10.6924 10.6977 14.4268 14.4294 18.9406 18.9939 21.6182 21.6781 21.8028 21.8131 22.3871 22.4182 k = 0.2567-0.2575 0.3560 ( 825 PWs) bands (ev): 0.3636 0.3637 4.5800 4.6057 4.9000 4.9587 5.3209 5.3223 6.0249 6.0422 6.3146 6.3428 9.3545 9.3702 10.6025 10.6077 14.3632 14.3651 18.8514 18.9060 21.6864 21.7496 21.8693 21.8802 22.3996 22.4332 k = 0.2621-0.2630 0.3636 ( 825 PWs) bands (ev): 0.3980 0.3984 4.5760 4.6099 4.9039 4.9704 5.3250 5.3251 6.0353 6.0525 6.3324 6.3608 9.3244 9.3396 10.5121 10.5172 14.2935 14.2946 18.7635 18.8189 21.7632 21.8290 21.9400 21.9524 22.4075 22.4443 k = 0.2676-0.2684 0.3712 ( 829 PWs) bands (ev): 0.4293 0.4299 4.5746 4.6168 4.9093 4.9841 5.3291 5.3301 6.0456 6.0628 6.3508 6.3795 9.2968 9.3114 10.4213 10.4263 14.2181 14.2184 18.6771 18.7327 21.8474 21.9152 22.0145 22.0297 22.4107 22.4518 k = 0.2731-0.2739 0.3788 ( 829 PWs) bands (ev): 0.4572 0.4580 4.5756 4.6265 4.9163 4.9999 5.3342 5.3362 6.0560 6.0730 6.3699 6.3991 9.2716 9.2856 10.3302 10.3352 14.1371 14.1376 18.5921 18.6475 21.9372 22.0068 22.0924 22.1123 22.4095 22.4568 k = 0.2785-0.2794 0.3863 ( 833 PWs) bands (ev): 0.4817 0.4827 4.5790 4.6389 4.9249 5.0178 5.3403 5.3434 6.0663 6.0833 6.3900 6.4197 9.2488 9.2621 10.2388 10.2437 14.0509 14.0523 18.5084 18.5633 22.0291 22.1010 22.1728 22.1994 22.4062 22.4627 k = 0.2840-0.2849 0.3939 ( 831 PWs) bands (ev): 0.5027 0.5040 4.5848 4.6538 4.9352 5.0377 5.3477 5.3516 6.0766 6.0935 6.4113 6.4417 9.2283 9.2409 10.1474 10.1522 13.9607 13.9628 18.4258 18.4800 22.1156 22.1916 22.2545 22.2860 22.4112 22.4769 k = 0.2895-0.2903 0.4015 ( 831 PWs) bands (ev): 0.5203 0.5218 4.5926 4.6710 4.9473 5.0597 5.3561 5.3609 6.0868 6.1035 6.4340 6.4651 9.2102 9.2220 10.0559 10.0607 13.8667 13.8697 18.3442 18.3974 22.1806 22.2565 22.3383 22.3571 22.4607 22.5140 k = 0.2949-0.2958 0.4091 ( 829 PWs) bands (ev): 0.5344 0.5361 4.6024 4.6901 4.9611 5.0837 5.3657 5.3711 6.0970 6.1136 6.4584 6.4903 9.1944 9.2054 9.9645 9.9693 13.7695 13.7733 18.2633 18.3155 22.2066 22.2624 22.4293 22.4371 22.5625 22.5853 k = 0.3004-0.3013 0.4166 ( 825 PWs) bands (ev): 0.5452 0.5471 4.6140 4.7109 4.9767 5.1095 5.3764 5.3825 6.1071 6.1235 6.4847 6.5175 9.1809 9.1910 9.8733 9.8780 13.6696 13.6742 18.1830 18.2339 22.1966 22.2333 22.5285 22.5328 22.6853 22.6863 k = 0.3058-0.3068 0.4242 ( 824 PWs) bands (ev): 0.5526 0.5547 4.6270 4.7328 4.9941 5.1369 5.3882 5.3948 6.1171 6.1332 6.5132 6.5470 9.1696 9.1788 9.7823 9.7870 13.5673 13.5727 18.1029 18.1525 22.1635 22.1886 22.6324 22.6345 22.8068 22.8188 k = 0.3113-0.3123 0.4318 ( 824 PWs) bands (ev): 0.5569 0.5591 4.6413 4.7555 5.0134 5.1658 5.4011 5.4081 6.1270 6.1429 6.5443 6.5790 9.1607 9.1688 9.6917 9.6964 13.4632 13.4692 18.0228 18.0709 22.1150 22.1333 22.7393 22.7399 22.9404 22.9600 k = 0.3168-0.3177 0.4394 ( 824 PWs) bands (ev): 0.5582 0.5606 4.6565 4.7784 5.0345 5.1959 5.4151 5.4224 6.1368 6.1524 6.5782 6.6137 9.1541 9.1610 9.6015 9.6063 13.3575 13.3642 17.9423 17.9890 22.0551 22.0692 22.8484 22.8489 23.0835 23.1074 k = 0.3222-0.3232 0.4469 ( 820 PWs) bands (ev): 0.5567 0.5592 4.6726 4.8013 5.0574 5.2270 5.4304 5.4377 6.1466 6.1619 6.6150 6.6513 9.1497 9.1554 9.5120 9.5169 13.2508 13.2580 17.8612 17.9064 21.9859 21.9972 22.9599 22.9610 23.2339 23.2602 k = 0.3277-0.3287 0.4545 ( 824 PWs) bands (ev): 0.5525 0.5552 4.6892 4.8235 5.0819 5.2586 5.4466 5.4539 6.1562 6.1712 6.6553 6.6922 9.1473 9.1515 9.4235 9.4287 13.1433 13.1510 17.7790 17.8227 21.9088 21.9183 23.0743 23.0757 23.3904 23.4177 k = 0.3331-0.3342 0.4621 ( 826 PWs) bands (ev): 0.5460 0.5487 4.7061 4.8450 5.1079 5.2907 5.4639 5.4709 6.1658 6.1804 6.6989 6.7362 9.1465 9.1487 9.3366 9.3425 13.0354 13.0434 17.6954 17.7376 21.8251 21.8333 23.1915 23.1931 23.5521 23.5796 k = 0.3386-0.3396 0.4697 ( 824 PWs) bands (ev): 0.5373 0.5401 4.7232 4.8654 5.1353 5.3228 5.4823 5.4888 6.1752 6.1894 6.7461 6.7836 9.1439 9.1447 9.2541 9.2616 12.9275 12.9358 17.6102 17.6507 21.7359 21.7433 23.3113 23.3131 23.7183 23.7454 k = 0.3441-0.3451 0.4772 ( 824 PWs) bands (ev): 0.5266 0.5294 4.7403 4.8846 5.1637 5.3548 5.5018 5.5075 6.1846 6.1984 6.7968 6.8342 9.1201 9.1236 9.1945 9.2032 12.8197 12.8282 17.5229 17.5618 21.6423 21.6491 23.4338 23.4356 23.8884 23.9148 k = 0.3495-0.3506 0.4848 ( 824 PWs) bands (ev): 0.5142 0.5171 4.7572 4.9023 5.1930 5.3864 5.5223 5.5269 6.1939 6.2073 6.8510 6.8880 9.0556 9.0563 9.1848 9.1892 12.7125 12.7210 17.4331 17.4705 21.5455 21.5518 23.5589 23.5607 24.0622 24.0874 k = 0.3550-0.3561 0.4924 ( 824 PWs) bands (ev): 0.5003 0.5032 4.7738 4.9186 5.2229 5.4175 5.5438 5.5471 6.2032 6.2162 6.9083 6.9446 8.9749 8.9757 9.1934 9.1947 12.6061 12.6145 17.3407 17.3764 21.4464 21.4524 23.6864 23.6881 24.2392 24.2630 k = 0.3605-0.3616 0.5000 ( 824 PWs) bands (ev): 0.4851 0.4880 4.7899 4.9334 5.2534 5.4479 5.5662 5.5679 6.2124 6.2250 6.9686 7.0038 8.8916 8.8930 9.2070 9.2082 12.5007 12.5089 17.2452 17.2793 21.3463 21.3520 23.8162 23.8179 24.4192 24.4414 k = 0.3659-0.3670 0.5075 ( 824 PWs) bands (ev): 0.4689 0.4718 4.8055 4.9466 5.2841 5.4775 5.5895 5.5895 6.2216 6.2338 7.0313 7.0651 8.8084 8.8101 9.2240 9.2274 12.3967 12.4046 17.1465 17.1790 21.2462 21.2516 23.9483 23.9499 24.6018 24.6222 k = 0.3714-0.3725 0.5151 ( 824 PWs) bands (ev): 0.4518 0.4547 4.8204 4.9583 5.3150 5.5063 5.6117 5.6136 6.2308 6.2426 7.0959 7.1281 8.7259 8.7278 9.2453 9.2509 12.2943 12.3017 17.0444 17.0754 21.1470 21.1522 24.0824 24.0841 24.7868 24.8054 k = 0.3768-0.3780 0.5227 ( 826 PWs) bands (ev): 0.4341 0.4369 4.8345 4.9684 5.3460 5.5342 5.6347 5.6384 6.2400 6.2514 7.1619 7.1922 8.6443 8.6464 9.2708 9.2787 12.1938 12.2004 16.9388 16.9681 21.0496 21.0545 24.2186 24.2202 24.9740 24.9905 k = 0.3768-0.3780 0.5227 ( 826 PWs) bands (ev): 0.4341 0.4369 4.8345 4.9684 5.3460 5.5342 5.6347 5.6384 6.2400 6.2514 7.1619 7.1922 8.6443 8.6464 9.2708 9.2787 12.1938 12.2004 16.9388 16.9681 21.0496 21.0545 24.2186 24.2202 24.9740 24.9905 k = 0.3799-0.3686 0.5183 ( 824 PWs) bands (ev): 0.4445 0.4473 4.8263 4.9626 5.3275 5.5168 5.6189 5.6257 6.2345 6.2461 7.1200 7.1514 8.6812 8.6841 9.2721 9.2790 12.2528 12.2599 17.0016 17.0319 21.1054 21.1105 24.1345 24.1375 24.8598 24.8773 k = 0.3830-0.3592 0.5139 ( 826 PWs) bands (ev): 0.4548 0.4576 4.8178 4.9562 5.3078 5.4966 5.6009 5.6146 6.2285 6.2403 7.0727 7.1050 8.6932 8.6976 9.3114 9.3186 12.3141 12.3217 17.0653 17.0965 21.1605 21.1658 24.0432 24.0489 24.7363 24.7544 k = 0.3861-0.3498 0.5095 ( 826 PWs) bands (ev): 0.4650 0.4679 4.8088 4.9490 5.2872 5.4735 5.5821 5.6038 6.2223 6.2342 7.0218 7.0550 8.6813 8.6870 9.3868 9.3951 12.3777 12.3857 17.1297 17.1620 21.2139 21.2195 23.9471 23.9558 24.6044 24.6231 k = 0.3892-0.3404 0.5051 ( 826 PWs) bands (ev): 0.4753 0.4782 4.7994 4.9410 5.2654 5.4479 5.5626 5.5932 6.2159 6.2278 6.9686 7.0026 8.6532 8.6596 9.4897 9.4991 12.4434 12.4518 17.1948 17.2281 21.2643 21.2701 23.8481 23.8601 24.4654 24.4846 k = 0.3922-0.3309 0.5007 ( 827 PWs) bands (ev): 0.4855 0.4884 4.7895 4.9320 5.2427 5.4201 5.5424 5.5826 6.2094 6.2213 6.9141 6.9489 8.6164 8.6231 9.6115 9.6218 12.5112 12.5199 17.2605 17.2950 21.3099 21.3160 23.7487 23.7645 24.3203 24.3402 k = 0.3953-0.3215 0.4963 ( 827 PWs) bands (ev): 0.4957 0.4986 4.7791 4.9220 5.2189 5.3904 5.5216 5.5718 6.2029 6.2147 6.8591 6.8947 8.5757 8.5827 9.7462 9.7574 12.5809 12.5899 17.3269 17.3625 21.3489 21.3553 23.6518 23.6718 24.1702 24.1914 k = 0.3984-0.3121 0.4919 ( 827 PWs) bands (ev): 0.5060 0.5089 4.7681 4.9109 5.1942 5.3593 5.5003 5.5605 6.1963 6.2081 6.8044 6.8407 8.5342 8.5412 9.8902 9.9021 12.6524 12.6616 17.3937 17.4306 21.3788 21.3856 23.5599 23.5851 24.0161 24.0399 k = 0.4015-0.3027 0.4875 ( 825 PWs) bands (ev): 0.5163 0.5192 4.7567 4.8985 5.1686 5.3269 5.4784 5.5487 6.1899 6.2016 6.7504 6.7874 8.4934 8.5003 10.0411 10.0537 12.7256 12.7350 17.4611 17.4992 21.3970 21.4041 23.4759 23.5075 23.8592 23.8874 k = 0.4046-0.2933 0.4831 ( 825 PWs) bands (ev): 0.5267 0.5296 4.7446 4.8849 5.1422 5.2936 5.4559 5.5361 6.1836 6.1952 6.6978 6.7353 8.4541 8.4611 10.1974 10.2106 12.8003 12.8099 17.5288 17.5682 21.4007 21.4081 23.4010 23.4419 23.7011 23.7372 k = 0.4076-0.2839 0.4787 ( 829 PWs) bands (ev): 0.5371 0.5399 4.7319 4.8699 5.1152 5.2598 5.4329 5.5225 6.1774 6.1888 6.6467 6.6848 8.4170 8.4239 10.3579 10.3718 12.8765 12.8862 17.5969 17.6377 21.3875 21.3951 23.3324 23.3884 23.5455 23.5961 k = 0.4107-0.2745 0.4743 ( 833 PWs) bands (ev): 0.5475 0.5503 4.7187 4.8534 5.0877 5.2258 5.4093 5.5078 6.1714 6.1827 6.5978 6.6363 8.3823 8.3891 10.5220 10.5366 12.9540 12.9638 17.6653 17.7075 21.3555 21.3634 23.2554 23.3250 23.4173 23.4816 k = 0.4138-0.2651 0.4699 ( 831 PWs) bands (ev): 0.5580 0.5608 4.7048 4.8355 5.0600 5.1918 5.3852 5.4920 6.1656 6.1768 6.5512 6.5901 8.3500 8.3568 10.6891 10.7043 13.0326 13.0425 17.7338 17.7775 21.3042 21.3124 23.1469 23.1923 23.3780 23.4185 k = 0.4169-0.2556 0.4655 ( 831 PWs) bands (ev): 0.5685 0.5713 4.6903 4.8160 5.0320 5.1582 5.3605 5.4747 6.1600 6.1712 6.5073 6.5463 8.3202 8.3269 10.8585 10.8744 13.1123 13.1222 17.8024 17.8476 21.2342 21.2431 23.0094 23.0359 23.3822 23.4044 k = 0.4199-0.2462 0.4611 ( 831 PWs) bands (ev): 0.5791 0.5818 4.6752 4.7950 5.0039 5.1253 5.3353 5.4561 6.1548 6.1658 6.4663 6.5053 8.2928 8.2994 11.0301 11.0465 13.1928 13.2027 17.8708 17.9176 21.1473 21.1574 22.8588 22.8771 23.4082 23.4219 k = 0.4230-0.2368 0.4567 ( 829 PWs) bands (ev): 0.5896 0.5923 4.6593 4.7724 4.9760 5.0932 5.3095 5.4360 6.1497 6.1608 6.4284 6.4672 8.2677 8.2742 11.2032 11.2203 13.2740 13.2838 17.9390 17.9873 21.0460 21.0579 22.7031 22.7195 23.4510 23.4611 k = 0.4261-0.2274 0.4523 ( 829 PWs) bands (ev): 0.6002 0.6028 4.6428 4.7486 4.9482 5.0623 5.2832 5.4144 6.1450 6.1561 6.3936 6.4319 8.2448 8.2512 11.3778 11.3954 13.3557 13.3655 18.0065 18.0563 20.9331 20.9472 22.5459 22.5637 23.5080 23.5163 k = 0.4292-0.2180 0.4479 ( 830 PWs) bands (ev): 0.6107 0.6133 4.6256 4.7234 4.9207 5.0327 5.2566 5.3915 6.1405 6.1516 6.3620 6.3997 8.2241 8.2304 11.5533 11.5715 13.4378 13.4474 18.0731 18.1244 20.8115 20.8282 22.3890 22.4099 23.5765 23.5840 k = 0.4323-0.2086 0.4435 ( 828 PWs) bands (ev): 0.6212 0.6237 4.6077 4.6973 4.8937 5.0044 5.2297 5.3673 6.1362 6.1475 6.3337 6.3704 8.2053 8.2114 11.7296 11.7483 13.5200 13.5295 18.1382 18.1909 20.6838 20.7035 22.2338 22.2583 23.6543 23.6614 k = 0.4353-0.1992 0.4391 ( 828 PWs) bands (ev): 0.6316 0.6341 4.5892 4.6703 4.8673 4.9775 5.2026 5.3421 6.1323 6.1436 6.3085 6.3440 8.1883 8.1943 11.9063 11.9255 13.6022 13.6115 18.2013 18.2552 20.5524 20.5754 22.0808 22.1095 23.7395 23.7462 k = 0.4384-0.1898 0.4347 ( 826 PWs) bands (ev): 0.6419 0.6443 4.5700 4.6428 4.8417 4.9520 5.1757 5.3159 6.1286 6.1399 6.2863 6.3205 8.1730 8.1788 12.0832 12.1028 13.6841 13.6931 18.2614 18.3162 20.4197 20.4464 21.9305 21.9637 23.8303 23.8366 k = 0.4415-0.1804 0.4303 ( 827 PWs) bands (ev): 0.6521 0.6544 4.5503 4.6150 4.8169 4.9275 5.1491 5.2891 6.1253 6.1365 6.2670 6.2996 8.1593 8.1649 12.2599 12.2799 13.7654 13.7742 18.3175 18.3728 20.2878 20.3190 21.7833 21.8213 23.9252 23.9311 k = 0.4446-0.1709 0.4259 ( 825 PWs) bands (ev): 0.6621 0.6643 4.5301 4.5872 4.7933 4.9042 5.1230 5.2619 6.1223 6.1334 6.2502 6.2812 8.1470 8.1523 12.4361 12.4565 13.8460 13.8546 18.3681 18.4231 20.1593 20.1956 21.6396 21.6828 24.0228 24.0282 k = 0.4477-0.1615 0.4215 ( 825 PWs) bands (ev): 0.6719 0.6740 4.5096 4.5596 4.7709 4.8817 5.0977 5.2345 6.1195 6.1304 6.2359 6.2651 8.1360 8.1411 12.6115 12.6322 13.9256 13.9338 18.4110 18.4649 20.0369 20.0794 21.4998 21.5486 24.1216 24.1267 k = 0.4507-0.1521 0.4171 ( 825 PWs) bands (ev): 0.6814 0.6835 4.4889 4.5325 4.7499 4.8599 5.0736 5.2072 6.1171 6.1276 6.2238 6.2510 8.1262 8.1311 12.7856 12.8067 14.0037 14.0116 18.4438 18.4953 19.9238 19.9738 21.3642 21.4189 24.2206 24.2252 k = 0.4538-0.1427 0.4127 ( 824 PWs) bands (ev): 0.6906 0.6926 4.4681 4.5059 4.7304 4.8388 5.0507 5.1803 6.1150 6.1250 6.2136 6.2389 8.1175 8.1222 12.9582 12.9794 14.0802 14.0878 18.4631 18.5107 19.8236 19.8827 21.2332 21.2942 24.3182 24.3225 k = 0.4569-0.1333 0.4083 ( 824 PWs) bands (ev): 0.6996 0.7014 4.4476 4.4803 4.7123 4.8182 5.0293 5.1540 6.1132 6.1225 6.2052 6.2284 8.1098 8.1142 13.1287 13.1500 14.1547 14.1619 18.4657 18.5077 19.7401 19.8098 21.1072 21.1750 24.4131 24.4171 k = 0.4600-0.1239 0.4039 ( 822 PWs) bands (ev): 0.7081 0.7099 4.4275 4.4556 4.6957 4.7981 5.0096 5.1285 6.1116 6.1203 6.1983 6.2195 8.1030 8.1072 13.2966 13.3179 14.2268 14.2337 18.4486 18.4839 19.6766 19.7579 20.9865 21.0615 24.5038 24.5077 k = 0.4631-0.1145 0.3995 ( 826 PWs) bands (ev): 0.7163 0.7179 4.4080 4.4321 4.6806 4.7785 4.9916 5.1039 6.1103 6.1182 6.1926 6.2118 8.0971 8.1009 13.4613 13.4825 14.2961 14.3026 18.4106 18.4387 19.6345 19.7279 20.8717 20.9542 24.5889 24.5926 k = 0.4661-0.1051 0.3951 ( 828 PWs) bands (ev): 0.7239 0.7255 4.3893 4.4100 4.6670 4.7595 4.9756 5.0804 6.1093 6.1163 6.1881 6.2052 8.0918 8.0954 13.6221 13.6430 14.3622 14.3684 18.3530 18.3742 19.6128 19.7178 20.7631 20.8536 24.6666 24.6703 k = 0.4692-0.0956 0.3907 ( 826 PWs) bands (ev): 0.7311 0.7325 4.3716 4.3893 4.6550 4.7412 4.9615 5.0583 6.1084 6.1146 6.1845 6.1997 8.0873 8.0906 13.7781 13.7986 14.4248 14.4305 18.2792 18.2944 19.6085 19.7242 20.6613 20.7599 24.7355 24.7394 k = 0.4723-0.0862 0.3863 ( 824 PWs) bands (ev): 0.7378 0.7391 4.3552 4.3701 4.6445 4.7237 4.9493 5.0375 6.1078 6.1131 6.1817 6.1950 8.0834 8.0864 13.9283 13.9482 14.4833 14.4886 18.1938 18.2042 19.6175 19.7424 20.5668 20.6735 24.7943 24.7985 k = 0.4754-0.0768 0.3819 ( 821 PWs) bands (ev): 0.7439 0.7450 4.3401 4.3527 4.6355 4.7071 4.9391 5.0183 6.1073 6.1119 6.1795 6.1911 8.0801 8.0828 14.0714 14.0906 14.5372 14.5421 18.1015 18.1082 19.6356 19.7682 20.4804 20.5947 24.8423 24.8467 k = 0.4784-0.0674 0.3775 ( 821 PWs) bands (ev): 0.7493 0.7503 4.3265 4.3370 4.6281 4.6915 4.9307 5.0005 6.1069 6.1108 6.1779 6.1878 8.0773 8.0796 14.2060 14.2242 14.5862 14.5907 18.0069 18.0109 19.6594 19.7975 20.4029 20.5236 24.8792 24.8838 k = 0.4815-0.0580 0.3731 ( 823 PWs) bands (ev): 0.7541 0.7550 4.3145 4.3232 4.6222 4.6771 4.9243 4.9844 6.1066 6.1098 6.1768 6.1850 8.0750 8.0770 14.3303 14.3473 14.6298 14.6339 17.9139 17.9164 19.6863 19.8268 20.3356 20.4602 24.9058 24.9103 k = 0.4846-0.0486 0.3687 ( 823 PWs) bands (ev): 0.7583 0.7590 4.3043 4.3113 4.6179 4.6640 4.9196 4.9699 6.1065 6.1090 6.1760 6.1827 8.0731 8.0748 14.4422 14.4577 14.6676 14.6714 17.8264 17.8283 19.7144 19.8526 20.2800 20.4043 24.9233 24.9276 k = 0.4877-0.0392 0.3643 ( 827 PWs) bands (ev): 0.7617 0.7623 4.2959 4.3014 4.6151 4.6522 4.9167 4.9571 6.1064 6.1083 6.1755 6.1808 8.0716 8.0729 14.5393 14.5529 14.6991 14.7026 17.7480 17.7499 19.7425 19.8713 20.2384 20.3556 24.9337 24.9374 k = 0.4908-0.0298 0.3599 ( 827 PWs) bands (ev): 0.7645 0.7649 4.2895 4.2935 4.6140 4.6420 4.9157 4.9460 6.1063 6.1078 6.1754 6.1793 8.0705 8.0715 14.6188 14.6304 14.7241 14.7275 17.6826 17.6844 19.7700 19.8797 20.2128 20.3136 24.9390 24.9420 k = 0.4938-0.0204 0.3555 ( 825 PWs) bands (ev): 0.7664 0.7667 4.2850 4.2876 4.6146 4.6333 4.9164 4.9367 6.1064 6.1073 6.1754 6.1780 8.0698 8.0705 14.6783 14.6875 14.7424 14.7458 17.6332 17.6347 19.7965 19.8768 20.2035 20.2778 24.9412 24.9434 k = 0.4969-0.0109 0.3511 ( 828 PWs) bands (ev): 0.7677 0.7678 4.2825 4.2838 4.6168 4.6262 4.9189 4.9290 6.1065 6.1069 6.1757 6.1770 8.0694 8.0698 14.7155 14.7211 14.7544 14.7571 17.6027 17.6035 19.8216 19.8640 20.2086 20.2479 24.9421 24.9433 k = 0.5000-0.0015 0.3468 ( 826 PWs) bands (ev): 0.7681 0.7681 4.2822 4.2822 4.6207 4.6207 4.9231 4.9231 6.1067 6.1067 6.1763 6.1763 8.0694 8.0694 14.7299 14.7299 14.7600 14.7600 17.5926 17.5926 19.8446 19.8446 20.2243 20.2243 24.9427 24.9427 k = 0.5000-0.0015 0.3468 ( 826 PWs) bands (ev): 0.7681 0.7681 4.2822 4.2822 4.6207 4.6207 4.9231 4.9231 6.1067 6.1067 6.1763 6.1763 8.0694 8.0694 14.7299 14.7299 14.7600 14.7600 17.5926 17.5926 19.8446 19.8446 20.2243 20.2243 24.9427 24.9427 k = 0.4947 0.0038 0.3544 ( 828 PWs) bands (ev): 0.7677 0.7678 4.2826 4.2838 4.6212 4.6215 4.9236 4.9245 6.1064 6.1070 6.1761 6.1766 8.0695 8.0698 14.7248 14.7251 14.7501 14.7501 17.6011 17.6014 19.8486 19.8490 20.2219 20.2224 24.9442 24.9444 k = 0.4894 0.0091 0.3621 ( 828 PWs) bands (ev): 0.7666 0.7668 4.2851 4.2875 4.6231 4.6236 4.9259 4.9278 6.1060 6.1072 6.1763 6.1773 8.0698 8.0704 14.7029 14.7049 14.7262 14.7278 17.6266 17.6272 19.8604 19.8613 20.2159 20.2168 24.9485 24.9488 k = 0.4840 0.0145 0.3698 ( 830 PWs) bands (ev): 0.7648 0.7651 4.2896 4.2933 4.6264 4.6271 4.9302 4.9329 6.1057 6.1075 6.1768 6.1782 8.0705 8.0714 14.6524 14.6556 14.7035 14.7060 17.6676 17.6684 19.8783 19.8795 20.2084 20.2098 24.9543 24.9548 k = 0.4787 0.0198 0.3775 ( 832 PWs) bands (ev): 0.7624 0.7628 4.2961 4.3011 4.6310 4.6319 4.9364 4.9400 6.1053 6.1078 6.1776 6.1795 8.0715 8.0727 14.5801 14.5838 14.6776 14.6805 17.7220 17.7229 19.8983 19.8998 20.2041 20.2058 24.9598 24.9604 k = 0.4734 0.0251 0.3852 ( 828 PWs) bands (ev): 0.7592 0.7598 4.3045 4.3109 4.6370 4.6380 4.9444 4.9489 6.1049 6.1080 6.1788 6.1812 8.0729 8.0744 14.4908 14.4951 14.6453 14.6487 17.7873 17.7883 19.9136 19.9152 20.2106 20.2124 24.9627 24.9632 k = 0.4681 0.0305 0.3929 ( 828 PWs) bands (ev): 0.7555 0.7561 4.3148 4.3226 4.6443 4.6453 4.9543 4.9596 6.1045 6.1083 6.1805 6.1833 8.0747 8.0764 14.3875 14.3922 14.6062 14.6101 17.8611 17.8621 19.9164 19.9176 20.2368 20.2382 24.9601 24.9606 k = 0.4628 0.0358 0.4006 ( 828 PWs) bands (ev): 0.7511 0.7518 4.3269 4.3363 4.6529 4.6538 4.9660 4.9721 6.1040 6.1085 6.1827 6.1859 8.0769 8.0789 14.2725 14.2777 14.5603 14.5648 17.9412 17.9421 19.9030 19.9036 20.2871 20.2879 24.9497 24.9499 k = 0.4574 0.0412 0.4083 ( 826 PWs) bands (ev): 0.7461 0.7470 4.3407 4.3517 4.6629 4.6635 4.9795 4.9863 6.1036 6.1088 6.1855 6.1891 8.0795 8.0819 14.1481 14.1537 14.5076 14.5126 18.0256 18.0264 19.8757 19.8757 20.3595 20.3596 24.9291 24.9292 k = 0.4521 0.0465 0.4160 ( 830 PWs) bands (ev): 0.7406 0.7415 4.3560 4.3688 4.6742 4.6743 4.9947 5.0022 6.1031 6.1091 6.1890 6.1929 8.0826 8.0853 14.0159 14.0219 14.4481 14.4536 18.1129 18.1135 19.8387 19.8392 20.4495 20.4499 24.8967 24.8972 k = 0.4468 0.0518 0.4237 ( 830 PWs) bands (ev): 0.7345 0.7356 4.3728 4.3875 4.6862 4.6868 5.0115 5.0197 6.1027 6.1095 6.1933 6.1976 8.0863 8.0893 13.8776 13.8840 14.3820 14.3881 18.2018 18.2022 19.7962 19.7970 20.5543 20.5551 24.8523 24.8532 k = 0.4415 0.0572 0.4314 ( 832 PWs) bands (ev): 0.7280 0.7291 4.3908 4.4076 4.6993 4.7008 5.0298 5.0386 6.1023 6.1099 6.1986 6.2032 8.0906 8.0938 13.7345 13.7411 14.3095 14.3160 18.2916 18.2917 19.7507 19.7518 20.6717 20.6729 24.7961 24.7975 k = 0.4362 0.0625 0.4391 ( 828 PWs) bands (ev): 0.7210 0.7222 4.4100 4.4291 4.7136 4.7161 5.0496 5.0590 6.1019 6.1104 6.2050 6.2098 8.0955 8.0991 13.5875 13.5944 14.2306 14.2376 18.3816 18.3817 19.7039 19.7051 20.7999 20.8013 24.7292 24.7311 k = 0.4309 0.0678 0.4468 ( 828 PWs) bands (ev): 0.7136 0.7149 4.4300 4.4516 4.7290 4.7329 5.0706 5.0805 6.1017 6.1111 6.2127 6.2177 8.1012 8.1050 13.4376 13.4448 14.1456 14.1530 18.4716 18.4719 19.6571 19.6584 20.9374 20.9391 24.6528 24.6553 k = 0.4255 0.0732 0.4545 ( 828 PWs) bands (ev): 0.7058 0.7072 4.4508 4.4750 4.7456 4.7510 5.0926 5.1031 6.1015 6.1119 6.2217 6.2269 8.1076 8.1117 13.2855 13.2929 14.0548 14.0626 18.5615 18.5620 19.6112 19.6125 21.0830 21.0849 24.5686 24.5716 k = 0.4202 0.0785 0.4622 ( 828 PWs) bands (ev): 0.6977 0.6991 4.4721 4.4991 4.7635 4.7707 5.1156 5.1265 6.1015 6.1129 6.2324 6.2377 8.1149 8.1193 13.1318 13.1394 13.9583 13.9665 18.6513 18.6521 19.5669 19.5683 21.2354 21.2373 24.4781 24.4815 k = 0.4149 0.0838 0.4698 ( 828 PWs) bands (ev): 0.6893 0.6908 4.4937 4.5237 4.7827 4.7918 5.1393 5.1506 6.1017 6.1140 6.2449 6.2503 8.1232 8.1278 12.9770 12.9848 13.8564 13.8651 18.7410 18.7420 19.5250 19.5263 21.3932 21.3953 24.3826 24.3865 k = 0.4096 0.0892 0.4775 ( 828 PWs) bands (ev): 0.6806 0.6823 4.5153 4.5484 4.8033 4.8145 5.1634 5.1751 6.1022 6.1154 6.2594 6.2650 8.1326 8.1374 12.8216 12.8296 13.7496 13.7586 18.8306 18.8319 19.4859 19.4871 21.5554 21.5574 24.2834 24.2879 k = 0.4043 0.0945 0.4852 ( 828 PWs) bands (ev): 0.6718 0.6735 4.5369 4.5731 4.8253 4.8386 5.1877 5.1998 6.1029 6.1171 6.2762 6.2819 8.1431 8.1481 12.6659 12.6741 13.6380 13.6474 18.9200 18.9216 19.4503 19.4514 21.7205 21.7225 24.1817 24.1866 k = 0.3989 0.0998 0.4929 ( 828 PWs) bands (ev): 0.6628 0.6646 4.5581 4.5975 4.8487 4.8642 5.2120 5.2244 6.1039 6.1190 6.2955 6.3013 8.1549 8.1602 12.5102 12.5186 13.5221 13.5318 19.0087 19.0104 19.4191 19.4200 21.8872 21.8892 24.0783 24.0836 k = 0.3936 0.1052 0.5006 ( 824 PWs) bands (ev): 0.6537 0.6555 4.5790 4.6214 4.8736 4.8912 5.2360 5.2487 6.1052 6.1213 6.3175 6.3234 8.1681 8.1736 12.3549 12.3635 13.4023 13.4123 19.0949 19.0969 19.3942 19.3949 22.0542 22.0561 23.9740 23.9798 k = 0.3883 0.1105 0.5083 ( 824 PWs) bands (ev): 0.6445 0.6464 4.5994 4.6446 4.8998 4.9194 5.2595 5.2726 6.1070 6.1240 6.3424 6.3484 8.1828 8.1885 12.2002 12.2089 13.2788 13.2892 19.1736 19.1757 19.3809 19.3815 22.2199 22.2217 23.8696 23.8759 k = 0.3830 0.1158 0.5160 ( 828 PWs) bands (ev): 0.6353 0.6373 4.6192 4.6671 4.9272 4.9486 5.2822 5.2956 6.1091 6.1269 6.3704 6.3766 8.1992 8.2050 12.0463 12.0552 13.1522 13.1629 19.2296 19.2312 19.3946 19.3957 22.3827 22.3842 23.7657 23.7723 k = 0.3777 0.1212 0.5237 ( 828 PWs) bands (ev): 0.6262 0.6282 4.6383 4.6887 4.9556 4.9787 5.3040 5.3178 6.1118 6.1303 6.4018 6.4080 8.2174 8.2234 11.8934 11.9024 13.0227 13.0337 19.2476 19.2484 19.4506 19.4525 22.5406 22.5420 23.6627 23.6697 k = 0.3723 0.1265 0.5314 ( 828 PWs) bands (ev): 0.6170 0.6191 4.6568 4.7095 4.9848 5.0092 5.3246 5.3389 6.1150 6.1341 6.4365 6.4429 8.2376 8.2438 11.7417 11.7509 12.8907 12.9021 19.2436 19.2437 19.5330 19.5354 22.6918 22.6929 23.5611 23.5686 k = 0.3670 0.1319 0.5391 ( 828 PWs) bands (ev): 0.6080 0.6102 4.6746 4.7294 5.0145 5.0401 5.3440 5.3589 6.1187 6.1384 6.4746 6.4813 8.2600 8.2662 11.5914 11.6008 12.7567 12.7684 19.2331 19.2334 19.6259 19.6287 22.8338 22.8347 23.4614 23.4693 k = 0.3617 0.1372 0.5468 ( 830 PWs) bands (ev): 0.5991 0.6013 4.6917 4.7484 5.0443 5.0710 5.3621 5.3776 6.1231 6.1431 6.5162 6.5231 8.2846 8.2909 11.4427 11.4522 12.6210 12.6330 19.2218 19.2225 19.7237 19.7269 22.9643 22.9650 23.3641 23.3725 k = 0.3564 0.1425 0.5545 ( 832 PWs) bands (ev): 0.5904 0.5926 4.7081 4.7666 5.0741 5.1015 5.3788 5.3951 6.1280 6.1484 6.5613 6.5684 8.3118 8.3181 11.2956 11.3053 12.4840 12.4963 19.2113 19.2124 19.8248 19.8283 23.0796 23.0801 23.2707 23.2795 k = 0.3511 0.1479 0.5622 ( 832 PWs) bands (ev): 0.5819 0.5842 4.7238 4.7839 5.1034 5.1314 5.3941 5.4113 6.1337 6.1542 6.6098 6.6171 8.3415 8.3478 11.1505 11.1604 12.3460 12.3587 19.2025 19.2039 19.9283 19.9322 23.1519 23.1551 23.2074 23.2131 k = 0.3457 0.1532 0.5699 ( 832 PWs) bands (ev): 0.5736 0.5759 4.7388 4.8005 5.1321 5.1604 5.4080 5.4264 6.1401 6.1605 6.6615 6.6691 8.3741 8.3803 11.0074 11.0175 12.2075 12.2205 19.1953 19.1971 20.0340 20.0382 23.0800 23.0885 23.2727 23.2737 k = 0.3404 0.1585 0.5776 ( 832 PWs) bands (ev): 0.5656 0.5680 4.7532 4.8163 5.1598 5.1882 5.4205 5.4404 6.1471 6.1674 6.7163 6.7241 8.4095 8.4156 10.8666 10.8768 12.0687 12.0822 19.1897 19.1920 20.1415 20.1461 22.9949 23.0042 23.3348 23.3355 k = 0.3351 0.1639 0.5853 ( 832 PWs) bands (ev): 0.5579 0.5603 4.7668 4.8313 5.1864 5.2147 5.4316 5.4532 6.1548 6.1749 6.7740 6.7820 8.4481 8.4540 10.7283 10.7386 11.9300 11.9439 19.1858 19.1884 20.2509 20.2558 22.9122 22.9219 23.3775 23.3782 k = 0.3298 0.1692 0.5929 ( 832 PWs) bands (ev): 0.5505 0.5529 4.7798 4.8455 5.2116 5.2395 5.4414 5.4651 6.1632 6.1827 6.8342 6.8424 8.4898 8.4955 10.5926 10.6030 11.7919 11.8063 19.1834 19.1864 20.3618 20.3672 22.8328 22.8430 23.3999 23.4005 k = 0.3245 0.1745 0.6006 ( 832 PWs) bands (ev): 0.5434 0.5459 4.7920 4.8590 5.2355 5.2626 5.4499 5.4761 6.1720 6.1911 6.8967 6.9052 8.5348 8.5402 10.4598 10.4704 11.6547 11.6695 19.1823 19.1856 20.4743 20.4802 22.7571 22.7677 23.4025 23.4028 k = 0.3191 0.1799 0.6083 ( 830 PWs) bands (ev): 0.5368 0.5393 4.8035 4.8716 5.2578 5.2839 5.4571 5.4861 6.1814 6.1998 6.9612 6.9698 8.5830 8.5880 10.3302 10.3410 11.5187 11.5341 19.1824 19.1861 20.5882 20.5946 22.6854 22.6964 23.3864 23.3865 k = 0.3138 0.1852 0.6160 ( 830 PWs) bands (ev): 0.5305 0.5331 4.8142 4.8834 5.2787 5.3032 5.4631 5.4953 6.1910 6.2086 7.0271 7.0360 8.6346 8.6391 10.2042 10.2151 11.3844 11.4005 19.1834 19.1875 20.7033 20.7103 22.6180 22.6293 23.3528 23.3534 k = 0.3085 0.1905 0.6237 ( 828 PWs) bands (ev): 0.5247 0.5273 4.8242 4.8944 5.2980 5.3207 5.4679 5.5037 6.2008 6.2176 7.0942 7.1032 8.6893 8.6932 10.0821 10.0932 11.2523 11.2690 19.1853 19.1897 20.8196 20.8272 22.5551 22.5667 23.3041 23.3054 k = 0.3032 0.1959 0.6314 ( 832 PWs) bands (ev): 0.5193 0.5219 4.8333 4.9045 5.3159 5.3363 5.4715 5.5113 6.2105 6.2265 7.1618 7.1709 8.7470 8.7503 9.9645 9.9757 11.1228 11.1404 19.1877 19.1925 20.9367 20.9451 22.4967 22.5088 23.2423 23.2443 k = 0.2979 0.2012 0.6391 ( 830 PWs) bands (ev): 0.5144 0.5170 4.8417 4.9137 5.3325 5.3501 5.4739 5.5180 6.2201 6.2352 7.2293 7.2385 8.8074 8.8099 9.8519 9.8633 10.9967 11.0151 19.1906 19.1957 21.0545 21.0638 22.4433 22.4557 23.1692 23.1723 k = 0.2926 0.2066 0.6468 ( 832 PWs) bands (ev): 0.5099 0.5126 4.8492 4.9220 5.3477 5.3622 5.4752 5.5239 6.2292 6.2436 7.2958 7.3051 8.8700 8.8715 9.7451 9.7567 10.8745 10.8939 19.1938 19.1992 21.1726 21.1831 22.3949 22.4076 23.0869 23.0912 k = 0.2872 0.2119 0.6545 ( 832 PWs) bands (ev): 0.5060 0.5086 4.8558 4.9293 5.3616 5.3726 5.4754 5.5290 6.2378 6.2514 7.3604 7.3698 8.9341 8.9346 9.6452 9.6568 10.7573 10.7779 19.1971 19.2027 21.2907 21.3025 22.3517 22.3648 22.9970 23.0027 k = 0.2819 0.2172 0.6622 ( 832 PWs) bands (ev): 0.5025 0.5052 4.8616 4.9358 5.3744 5.3815 5.4746 5.5333 6.2457 6.2585 7.4219 7.4314 8.9979 8.9988 9.5531 9.5650 10.6462 10.6682 19.2003 19.2062 21.4082 21.4217 22.3139 22.3273 22.9011 22.9088 k = 0.2766 0.2226 0.6699 ( 830 PWs) bands (ev): 0.4995 0.5022 4.8665 4.9412 5.3860 5.3889 5.4730 5.5368 6.2527 6.2649 7.4788 7.4883 9.0600 9.0623 9.4705 9.4825 10.5430 10.5665 19.2033 19.2094 21.5242 21.5399 22.2816 22.2955 22.8011 22.8112 k = 0.2713 0.2279 0.6776 ( 830 PWs) bands (ev): 0.4971 0.4998 4.8706 4.9457 5.3949 5.3963 5.4706 5.5397 6.2586 6.2703 7.5294 7.5390 9.1186 9.1226 9.3990 9.4112 10.4499 10.4751 19.2059 19.2122 21.6373 21.6559 22.2550 22.2694 22.6987 22.7122 k = 0.2660 0.2332 0.6853 ( 830 PWs) bands (ev): 0.4952 0.4979 4.8737 4.9492 5.3996 5.4052 5.4677 5.5418 6.2633 6.2746 7.5719 7.5814 9.1705 9.1763 9.3409 9.3532 10.3700 10.3970 19.2081 19.2145 21.7447 21.7674 22.2342 22.2495 22.5967 22.6151 k = 0.2606 0.2386 0.6930 ( 828 PWs) bands (ev): 0.4939 0.4966 4.8760 4.9517 5.4028 5.4125 5.4648 5.5433 6.2668 6.2777 7.6042 7.6137 9.2111 9.2186 9.2989 9.3114 10.3075 10.3363 19.2097 19.2162 21.8410 21.8696 22.2193 22.2361 22.5001 22.5259 k = 0.2553 0.2439 0.7007 ( 828 PWs) bands (ev): 0.4931 0.4958 4.8773 4.9532 5.4048 5.4173 5.4625 5.5442 6.2688 6.2796 7.6244 7.6339 9.2335 9.2424 9.2774 9.2898 10.2672 10.2973 19.2107 19.2173 21.9143 21.9501 22.2103 22.2298 22.4209 22.4567 k = 0.2500 0.2492 0.7083 ( 828 PWs) bands (ev): 0.4928 0.4955 4.8778 4.9537 5.4055 5.4191 5.4616 5.5445 6.2695 6.2803 7.6314 7.6408 9.2373 9.2470 9.2742 9.2863 10.2531 10.2837 19.2110 19.2176 21.9434 21.9835 22.2073 22.2291 22.3866 22.4288 k = 0.2485-0.2492 0.7083 ( 830 PWs) bands (ev): 0.5035 0.5051 4.8678 4.9153 5.3947 5.4214 5.4508 5.4966 6.2715 6.2779 7.6136 7.6206 9.2713 9.2763 9.3247 9.3300 10.2373 10.2598 19.2486 19.2498 21.8830 21.8978 22.2515 22.2551 22.5209 22.5433 k = 0.2538-0.2546 0.7006 ( 830 PWs) bands (ev): 0.5018 0.5035 4.8662 4.9188 5.3882 5.4260 5.4556 5.4962 6.2719 6.2784 7.6153 7.6227 9.2599 9.2649 9.3238 9.3295 10.2438 10.2667 19.2477 19.2513 21.9304 21.9591 22.3355 22.3390 22.3785 22.4174 k = 0.2592-0.2600 0.6929 ( 830 PWs) bands (ev): 0.4996 0.5014 4.8648 4.9229 5.3792 5.4289 5.4637 5.4986 6.2718 6.2784 7.6109 7.6189 9.2152 9.2176 9.3544 9.3574 10.2677 10.2905 19.2242 19.2303 21.9668 22.0255 22.2264 22.2897 22.4563 22.4607 k = 0.2645-0.2653 0.6851 ( 832 PWs) bands (ev): 0.4969 0.4988 4.8636 4.9274 5.3690 5.4301 5.4737 5.5037 6.2712 6.2779 7.6012 7.6098 9.1687 9.1701 9.3786 9.3804 10.3099 10.3322 19.1786 19.1871 21.9500 22.0228 22.1885 22.2710 22.5569 22.5587 k = 0.2699-0.2707 0.6774 ( 828 PWs) bands (ev): 0.4938 0.4958 4.8626 4.9324 5.3586 5.4303 5.4848 5.5111 6.2702 6.2771 7.5869 7.5963 9.1231 9.1240 9.3945 9.3952 10.3699 10.3915 19.1120 19.1229 21.8750 21.9202 22.2764 22.3343 22.6594 22.6603 k = 0.2752-0.2761 0.6697 ( 828 PWs) bands (ev): 0.4903 0.4924 4.8616 4.9376 5.3486 5.4301 5.4965 5.5202 6.2687 6.2758 7.5687 7.5789 9.0791 9.0796 9.4021 9.4026 10.4461 10.4666 19.0262 19.0394 21.7825 21.8114 22.3950 22.4390 22.7629 22.7635 k = 0.2806-0.2814 0.6619 ( 830 PWs) bands (ev): 0.4866 0.4888 4.8606 4.9429 5.3393 5.4301 5.5085 5.5303 6.2669 6.2743 7.5472 7.5584 9.0368 9.0370 9.4024 9.4040 10.5360 10.5553 18.9236 18.9388 21.6913 21.7110 22.5280 22.5648 22.8672 22.8675 k = 0.2859-0.2868 0.6542 ( 830 PWs) bands (ev): 0.4827 0.4849 4.8596 4.9481 5.3310 5.4307 5.5206 5.5411 6.2647 6.2724 7.5230 7.5353 8.9962 8.9963 9.3978 9.4004 10.6368 10.6549 18.8068 18.8238 21.6068 21.6204 22.6714 22.7039 22.9719 22.9721 k = 0.2913-0.2922 0.6465 ( 829 PWs) bands (ev): 0.4786 0.4809 4.8585 4.9531 5.3239 5.4322 5.5327 5.5522 6.2623 6.2704 7.4968 7.5102 8.9574 8.9578 9.3898 9.3934 10.7459 10.7629 18.6784 18.6970 21.5301 21.5396 22.8231 22.8526 23.0769 23.0770 k = 0.2966-0.2975 0.6387 ( 829 PWs) bands (ev): 0.4745 0.4768 4.8572 4.9578 5.3182 5.4347 5.5447 5.5632 6.2597 6.2682 7.4691 7.4837 8.9206 8.9212 9.3798 9.3842 10.8613 10.8772 18.5411 18.5611 21.4614 21.4677 22.9809 23.0083 23.1818 23.1820 k = 0.3020-0.3029 0.6310 ( 825 PWs) bands (ev): 0.4703 0.4727 4.8557 4.9619 5.3140 5.4383 5.5563 5.5740 6.2570 6.2659 7.4404 7.4562 8.8860 8.8867 9.3686 9.3737 10.9809 10.9958 18.3974 18.4187 21.4001 21.4040 23.1430 23.1683 23.2869 23.2874 k = 0.3073-0.3083 0.6232 ( 825 PWs) bands (ev): 0.4661 0.4685 4.8541 4.9654 5.3114 5.4431 5.5675 5.5844 6.2544 6.2637 7.4111 7.4282 8.8534 8.8544 9.3570 9.3626 11.1030 11.1169 18.2499 18.2722 21.3457 21.3477 23.3056 23.3273 23.3937 23.3966 k = 0.3127-0.3136 0.6155 ( 825 PWs) bands (ev): 0.4620 0.4645 4.8523 4.9682 5.3103 5.4490 5.5781 5.5942 6.2518 6.2615 7.3816 7.4001 8.8231 8.8242 9.3454 9.3515 11.2259 11.2390 18.1007 18.1240 21.2975 21.2979 23.4552 23.4647 23.5140 23.5279 k = 0.3180-0.3190 0.6078 ( 824 PWs) bands (ev): 0.4580 0.4606 4.8504 4.9703 5.3107 5.4559 5.5880 5.6031 6.2493 6.2594 7.3526 7.3724 8.7950 8.7963 9.3342 9.3407 11.3483 11.3606 17.9521 17.9763 21.2541 21.2548 23.5702 23.5720 23.6673 23.6878 k = 0.3234-0.3243 0.6000 ( 828 PWs) bands (ev): 0.4543 0.4569 4.8483 4.9716 5.3124 5.4636 5.5972 5.6111 6.2471 6.2575 7.3242 7.3454 8.7692 8.7706 9.3236 9.3304 11.4686 11.4800 17.8062 17.8311 21.2156 21.2173 23.6688 23.6690 23.8332 23.8544 k = 0.3287-0.3297 0.5923 ( 828 PWs) bands (ev): 0.4507 0.4533 4.8463 4.9723 5.3153 5.4722 5.6054 5.6180 6.2451 6.2559 7.2970 7.3196 8.7457 8.7473 9.3138 9.3209 11.5852 11.5960 17.6650 17.6906 21.1820 21.1844 23.7604 23.7607 23.9996 24.0205 k = 0.3341-0.3351 0.5846 ( 830 PWs) bands (ev): 0.4474 0.4501 4.8442 4.9725 5.3191 5.4812 5.6128 5.6237 6.2435 6.2545 7.2713 7.2952 8.7246 8.7263 9.3049 9.3122 11.6967 11.7067 17.5305 17.5568 21.1528 21.1558 23.8462 23.8469 24.1630 24.1833 k = 0.3394-0.3404 0.5768 ( 828 PWs) bands (ev): 0.4444 0.4471 4.8422 4.9722 5.3235 5.4905 5.6191 5.6282 6.2423 6.2535 7.2475 7.2728 8.7059 8.7077 9.2970 9.3044 11.8012 11.8106 17.4049 17.4318 21.1277 21.1312 23.9257 23.9266 24.3206 24.3403 k = 0.3447-0.3458 0.5691 ( 827 PWs) bands (ev): 0.4418 0.4445 4.8404 4.9716 5.3282 5.4997 5.6245 5.6315 6.2414 6.2527 7.2261 7.2525 8.6897 8.6915 9.2901 9.2976 11.8971 11.9058 17.2902 17.3177 21.1064 21.1103 23.9980 23.9991 24.4697 24.4889 k = 0.3501-0.3512 0.5614 ( 827 PWs) bands (ev): 0.4395 0.4422 4.8387 4.9709 5.3329 5.5087 5.6290 5.6336 6.2407 6.2522 7.2072 7.2347 8.6759 8.6778 9.2842 9.2919 11.9825 11.9907 17.1884 17.2164 21.0887 21.0930 24.0620 24.0632 24.6072 24.6257 k = 0.3554-0.3565 0.5536 ( 824 PWs) bands (ev): 0.4376 0.4403 4.8372 4.9701 5.3372 5.5169 5.6325 5.6348 6.2404 6.2518 7.1913 7.2198 8.6645 8.6665 9.2794 9.2871 12.0557 12.0633 17.1017 17.1301 21.0744 21.0790 24.1164 24.1178 24.7291 24.7470 k = 0.3608-0.3619 0.5459 ( 826 PWs) bands (ev): 0.4360 0.4388 4.8360 4.9694 5.3408 5.5239 5.6351 5.6351 6.2402 6.2516 7.1786 7.2079 8.6557 8.6578 9.2757 9.2834 12.1147 12.1220 17.0319 17.0607 21.0635 21.0682 24.1602 24.1616 24.8312 24.8485 k = 0.3661-0.3673 0.5382 ( 824 PWs) bands (ev): 0.4350 0.4378 4.8352 4.9689 5.3437 5.5295 5.6351 5.6370 6.2401 6.2515 7.1694 7.1992 8.6494 8.6515 9.2730 9.2808 12.1582 12.1651 16.9807 17.0097 21.0557 21.0606 24.1924 24.1938 24.9087 24.9256 k = 0.3715-0.3726 0.5304 ( 826 PWs) bands (ev): 0.4343 0.4371 4.8347 4.9685 5.3454 5.5330 5.6348 5.6380 6.2400 6.2515 7.1638 7.1939 8.6456 8.6477 9.2714 9.2792 12.1848 12.1915 16.9494 16.9786 21.0511 21.0560 24.2120 24.2135 24.9574 24.9740 k = 0.3768-0.3780 0.5227 ( 826 PWs) bands (ev): 0.4341 0.4369 4.8345 4.9684 5.3460 5.5342 5.6347 5.6384 6.2400 6.2514 7.1619 7.1922 8.6443 8.6464 9.2708 9.2787 12.1938 12.2004 16.9388 16.9681 21.0496 21.0545 24.2186 24.2202 24.9740 24.9905 k = 0.6232 0.3749 0.1708 ( 826 PWs) bands (ev): 0.4341 0.4369 4.8345 4.9684 5.3460 5.5342 5.6347 5.6384 6.2400 6.2514 7.1619 7.1922 8.6443 8.6464 9.2708 9.2787 12.1938 12.2004 16.9388 16.9681 21.0496 21.0545 24.2186 24.2202 24.9740 24.9905 k = 0.6178 0.3803 0.1634 ( 830 PWs) bands (ev): 0.4162 0.4190 4.8475 4.9768 5.3765 5.5605 5.6581 5.6634 6.2491 6.2602 7.2271 7.2553 8.5655 8.5677 9.3001 9.3103 12.0972 12.1030 16.8318 16.8596 20.9565 20.9612 24.3539 24.3554 25.1595 25.1738 k = 0.6125 0.3857 0.1560 ( 826 PWs) bands (ev): 0.3981 0.4008 4.8598 4.9839 5.4070 5.5860 5.6822 5.6889 6.2583 6.2691 7.2924 7.3184 8.4878 8.4902 9.3338 9.3464 12.0029 12.0077 16.7215 16.7477 20.8666 20.8710 24.4909 24.4923 25.3466 25.3587 k = 0.6071 0.3910 0.1485 ( 826 PWs) bands (ev): 0.3799 0.3825 4.8712 4.9897 5.4374 5.6105 5.7071 5.7148 6.2676 6.2780 7.3568 7.3805 8.4115 8.4140 9.3721 9.3871 11.9111 11.9147 16.6080 16.6327 20.7803 20.7844 24.6293 24.6306 25.5353 25.5449 k = 0.6017 0.3964 0.1411 ( 830 PWs) bands (ev): 0.3617 0.3642 4.8816 4.9942 5.4677 5.6340 5.7326 5.7410 6.2770 6.2872 7.4196 7.4410 8.3367 8.3393 9.4150 9.4326 11.8219 11.8242 16.4915 16.5147 20.6981 20.7019 24.7691 24.7703 25.7252 25.7322 k = 0.5964 0.4018 0.1337 ( 830 PWs) bands (ev): 0.3437 0.3461 4.8912 4.9975 5.4978 5.6567 5.7588 5.7674 6.2866 6.2966 7.4803 7.4993 8.2635 8.2662 9.4627 9.4830 11.7357 11.7363 16.3724 16.3941 20.6203 20.6238 24.9099 24.9111 25.9162 25.9206 k = 0.5910 0.4072 0.1263 ( 830 PWs) bands (ev): 0.3260 0.3283 4.8999 4.9998 5.5276 5.6784 5.7853 5.7939 6.2965 6.3063 7.5380 7.5548 8.1921 8.1951 9.5152 9.5382 11.6514 11.6525 16.2511 16.2714 20.5471 20.5503 25.0517 25.0528 26.1081 26.1096 k = 0.5857 0.4125 0.1188 ( 830 PWs) bands (ev): 0.3087 0.3109 4.9077 5.0011 5.5571 5.6993 5.8120 5.8202 6.3067 6.3164 7.5920 7.6068 8.1229 8.1262 9.5724 9.5981 11.5696 11.5728 16.1281 16.1470 20.4787 20.4815 25.1942 25.1952 26.2991 26.3007 k = 0.5803 0.4179 0.1114 ( 830 PWs) bands (ev): 0.2920 0.2941 4.9147 5.0016 5.5861 5.7195 5.8387 5.8463 6.3173 6.3268 7.6416 7.6546 8.0563 8.0601 9.6339 9.6623 11.4912 11.4966 16.0041 16.0217 20.4151 20.4176 25.3370 25.3379 26.4888 26.4936 k = 0.5750 0.4233 0.1040 ( 828 PWs) bands (ev): 0.2759 0.2779 4.9210 5.0013 5.6146 5.7388 5.8652 5.8719 6.3283 6.3377 7.6855 7.6970 7.9934 7.9978 9.6993 9.7304 11.4162 11.4242 15.8798 15.8961 20.3563 20.3586 25.4798 25.4807 26.6784 26.6868 k = 0.5696 0.4286 0.0966 ( 828 PWs) bands (ev): 0.2605 0.2624 4.9266 5.0004 5.6423 5.7571 5.8911 5.8968 6.3399 6.3492 7.7210 7.7315 7.9367 7.9419 9.7681 9.8019 11.3451 11.3557 15.7561 15.7711 20.3024 20.3044 25.6222 25.6230 26.8675 26.8798 k = 0.5643 0.4340 0.0891 ( 824 PWs) bands (ev): 0.2460 0.2477 4.9315 4.9990 5.6691 5.7746 5.9164 5.9209 6.3520 6.3613 7.7416 7.7511 7.8934 7.8994 9.8396 9.8759 11.2778 11.2915 15.6338 15.6476 20.2533 20.2550 25.7637 25.7645 27.0556 27.0723 k = 0.5589 0.4394 0.0817 ( 824 PWs) bands (ev): 0.2323 0.2339 4.9359 4.9971 5.6948 5.7909 5.9406 5.9439 6.3647 6.3739 7.7347 7.7416 7.8779 7.8826 9.9128 9.9516 11.2148 11.2316 15.5140 15.5266 20.2087 20.2102 25.9037 25.9044 27.2423 27.2638 k = 0.5535 0.4448 0.0743 ( 824 PWs) bands (ev): 0.2196 0.2211 4.9398 4.9948 5.7193 5.8061 5.9634 5.9657 6.3780 6.3870 7.7015 7.7054 7.8881 7.8910 9.9866 10.0278 11.1561 11.1763 15.3978 15.4093 20.1686 20.1699 26.0415 26.0421 27.4266 27.4538 k = 0.5482 0.4501 0.0668 ( 824 PWs) bands (ev): 0.2080 0.2093 4.9433 4.9923 5.7425 5.8200 5.9847 5.9859 6.3919 6.4007 7.6578 7.6598 7.9071 7.9091 10.0601 10.1033 11.1020 11.1256 15.2864 15.2967 20.1329 20.1340 26.1760 26.1766 27.6076 27.6414 k = 0.5428 0.4555 0.0594 ( 820 PWs) bands (ev): 0.1974 0.1986 4.9464 4.9897 5.7641 5.8324 6.0042 6.0044 6.4062 6.4146 7.6124 7.6134 7.9271 7.9288 10.1318 10.1769 11.0528 11.0797 15.1811 15.1904 20.1014 20.1023 26.3063 26.3068 27.7837 27.8253 k = 0.5375 0.4609 0.0520 ( 820 PWs) bands (ev): 0.1880 0.1891 4.9493 4.9868 5.7841 5.8433 6.0211 6.0217 6.4206 6.4286 7.5686 7.5690 7.9455 7.9471 10.2006 10.2468 11.0087 11.0386 15.0833 15.0915 20.0740 20.0747 26.4307 26.4311 27.9526 28.0035 k = 0.5321 0.4662 0.0446 ( 820 PWs) bands (ev): 0.1798 0.1807 4.9520 4.9839 5.8022 5.8526 6.0358 6.0369 6.4349 6.4423 7.5281 7.5281 7.9618 7.9633 10.2650 10.3116 10.9700 11.0023 14.9945 15.0016 20.0505 20.0511 26.5474 26.5478 28.1109 28.1725 k = 0.5268 0.4716 0.0371 ( 816 PWs) bands (ev): 0.1728 0.1735 4.9546 4.9810 5.8184 5.8601 6.0484 6.0498 6.4487 6.4552 7.4916 7.4918 7.9755 7.9770 10.3238 10.3693 10.9373 10.9707 14.9161 14.9221 20.0309 20.0313 26.6542 26.6545 28.2537 28.3257 k = 0.5214 0.4770 0.0297 ( 816 PWs) bands (ev): 0.1670 0.1676 4.9571 4.9781 5.8324 5.8656 6.0589 6.0604 6.4613 6.4668 7.4604 7.4607 7.9868 7.9880 10.3757 10.4182 10.9110 10.9436 14.8497 14.8545 20.0149 20.0153 26.7483 26.7486 28.3749 28.4511 k = 0.5161 0.4824 0.0223 ( 818 PWs) bands (ev): 0.1625 0.1629 4.9595 4.9752 5.8444 5.8691 6.0672 6.0685 6.4722 6.4765 7.4353 7.4356 7.9955 7.9965 10.4197 10.4563 10.8918 10.9208 14.7965 14.8001 20.0026 20.0029 26.8267 26.8269 28.4692 28.5362 k = 0.5107 0.4877 0.0149 ( 818 PWs) bands (ev): 0.1593 0.1596 4.9620 4.9724 5.8541 5.8705 6.0732 6.0742 6.4807 6.4837 7.4167 7.4170 8.0018 8.0025 10.4547 10.4819 10.8801 10.9023 14.7577 14.7601 19.9939 19.9941 26.8859 26.8860 28.5355 28.5819 k = 0.5054 0.4931 0.0074 ( 814 PWs) bands (ev): 0.1574 0.1575 4.9645 4.9697 5.8616 5.8698 6.0770 6.0775 6.4864 6.4879 7.4054 7.4056 8.0056 8.0059 10.4795 10.4942 10.8761 10.8882 14.7343 14.7355 19.9887 19.9888 26.9229 26.9230 28.5770 28.6000 k = 0.5000 0.4985 0.0000 ( 810 PWs) bands (ev): 0.1568 0.1568 4.9671 4.9671 5.8669 5.8669 6.0784 6.0784 6.4889 6.4889 7.4017 7.4017 8.0070 8.0070 10.4931 10.4931 10.8791 10.8791 14.7268 14.7268 19.9870 19.9870 26.9356 26.9356 28.5978 28.5978 Writing output data file CdS.save init_run : 0.44s CPU 0.56s WALL ( 1 calls) electrons : 91.55s CPU 92.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 91.54s CPU 92.56s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.10s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 549 calls) cegterg : 87.22s CPU 88.13s WALL ( 918 calls) Called by sum_band: Called by *egterg: h_psi : 44.38s CPU 51.17s WALL ( 15485 calls) s_psi : 5.25s CPU 5.33s WALL ( 15485 calls) g_psi : 0.09s CPU 0.10s WALL ( 14018 calls) cdiaghg : 28.76s CPU 28.99s WALL ( 14567 calls) cegterg:over : 2.21s CPU 2.19s WALL ( 14018 calls) cegterg:upda : 0.46s CPU 0.46s WALL ( 14018 calls) cegterg:last : 0.33s CPU 0.36s WALL ( 3099 calls) Called by h_psi: h_psi:vloc : 39.85s CPU 46.38s WALL ( 15485 calls) h_psi:vnl : 4.51s CPU 4.73s WALL ( 15485 calls) add_vuspsi : 2.89s CPU 3.09s WALL ( 15485 calls) General routines calbec : 1.60s CPU 1.61s WALL ( 15485 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 37.45s CPU 43.20s WALL ( 932452 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.01s CPU 0.08s WALL ( 1098 calls) Parallel routines fft_scatter : 26.23s CPU 29.78s WALL ( 932475 calls) PWSCF : 1m45.26s CPU 1m48.69s WALL This run was terminated on: 15: 9:27 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=