Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:14:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZnSiAs2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 94 61 17 2488 1298 198 Max 95 62 18 2490 1325 200 Sum 3393 2203 635 89595 47103 7151 bravais-lattice index = 14 lattice parameter (alat) = 12.7307 a.u. unit-cell volume = 1157.3503 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.730720 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.652902 celldm(5)= -0.652902 celldm(6)= 0.305804 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.305804 0.952094 0.000000 ) a(3) = ( -0.652902 -0.476047 0.589150 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.321191 0.848680 ) b(2) = ( 0.000000 1.050316 0.848680 ) b(3) = ( 0.000000 0.000000 1.697361 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 As 5.00 74.92160 As( 1.00) Zn 12.00 65.40900 Zn( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.1529022 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4760472 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2945750 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0212170), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0424340), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0636510), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0848680), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.1060850), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.1273020), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.1485190), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.1697361), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1909531), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.2121701), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.2333871), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.2546041), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.2758211), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.2970381), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.3182551), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.3394721), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.3606891), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.3819061), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.4031231), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.4243401), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.4455571), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.4667741), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.4879912), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.5092082), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.5304252), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.5516422), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.5728592), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.5940762), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.6152932), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.6365102), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.6577272), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.6789442), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.7001612), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.7213782), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.7425952), wk = 0.0036101 k( 37) = ( 0.0000000 0.0000000 0.7638122), wk = 0.0036101 k( 38) = ( 0.0000000 0.0000000 0.7850292), wk = 0.0036101 k( 39) = ( 0.0000000 0.0000000 0.8062463), wk = 0.0036101 k( 40) = ( 0.0000000 0.0000000 0.8274633), wk = 0.0036101 k( 41) = ( 0.0000000 0.0000000 0.8486803), wk = 0.0036101 k( 42) = ( 0.0000000 0.0000000 0.8486803), wk = 0.0036101 k( 43) = ( -0.0120823 0.0165710 0.8486803), wk = 0.0036101 k( 44) = ( -0.0241647 0.0331420 0.8486803), wk = 0.0036101 k( 45) = ( -0.0362470 0.0497130 0.8486803), wk = 0.0036101 k( 46) = ( -0.0483294 0.0662841 0.8486803), wk = 0.0036101 k( 47) = ( -0.0604117 0.0828551 0.8486803), wk = 0.0036101 k( 48) = ( -0.0724940 0.0994261 0.8486803), wk = 0.0036101 k( 49) = ( -0.0845764 0.1159971 0.8486803), wk = 0.0036101 k( 50) = ( -0.0966587 0.1325681 0.8486803), wk = 0.0036101 k( 51) = ( -0.1087410 0.1491392 0.8486803), wk = 0.0036101 k( 52) = ( -0.1208234 0.1657102 0.8486803), wk = 0.0036101 k( 53) = ( -0.1329057 0.1822812 0.8486803), wk = 0.0036101 k( 54) = ( -0.1329057 0.1822812 0.8486803), wk = 0.0036101 k( 55) = ( -0.1416460 0.1942686 0.8338448), wk = 0.0036101 k( 56) = ( -0.1503864 0.2062561 0.8190093), wk = 0.0036101 k( 57) = ( -0.1591267 0.2182435 0.8041737), wk = 0.0036101 k( 58) = ( -0.1678671 0.2302309 0.7893382), wk = 0.0036101 k( 59) = ( -0.1766074 0.2422184 0.7745027), wk = 0.0036101 k( 60) = ( -0.1853478 0.2542058 0.7596672), wk = 0.0036101 k( 61) = ( -0.1940881 0.2661933 0.7448317), wk = 0.0036101 k( 62) = ( -0.2028284 0.2781807 0.7299962), wk = 0.0036101 k( 63) = ( -0.2115688 0.2901682 0.7151607), wk = 0.0036101 k( 64) = ( -0.2203091 0.3021556 0.7003252), wk = 0.0036101 k( 65) = ( -0.2290494 0.3141430 0.6854897), wk = 0.0036101 k( 66) = ( -0.2377898 0.3261305 0.6706542), wk = 0.0036101 k( 67) = ( -0.2465301 0.3381179 0.6558187), wk = 0.0036101 k( 68) = ( -0.2552705 0.3501054 0.6409832), wk = 0.0036101 k( 69) = ( -0.2640108 0.3620928 0.6261476), wk = 0.0036101 k( 70) = ( -0.2727511 0.3740802 0.6113121), wk = 0.0036101 k( 71) = ( -0.2814915 0.3860677 0.5964766), wk = 0.0036101 k( 72) = ( -0.2902318 0.3980551 0.5816411), wk = 0.0036101 k( 73) = ( -0.2989722 0.4100426 0.5668056), wk = 0.0036101 k( 74) = ( -0.3077125 0.4220300 0.5519701), wk = 0.0036101 k( 75) = ( -0.3164529 0.4340175 0.5371346), wk = 0.0036101 k( 76) = ( -0.3164529 0.4340175 0.5371346), wk = 0.0036101 k( 77) = ( -0.3076625 0.4219614 0.5222142), wk = 0.0036101 k( 78) = ( -0.2988721 0.4099054 0.5072938), wk = 0.0036101 k( 79) = ( -0.2900818 0.3978493 0.4923734), wk = 0.0036101 k( 80) = ( -0.2812914 0.3857933 0.4774530), wk = 0.0036101 k( 81) = ( -0.2725011 0.3737373 0.4625326), wk = 0.0036101 k( 82) = ( -0.2637107 0.3616812 0.4476122), wk = 0.0036101 k( 83) = ( -0.2549204 0.3496252 0.4326918), wk = 0.0036101 k( 84) = ( -0.2461300 0.3375691 0.4177713), wk = 0.0036101 k( 85) = ( -0.2373396 0.3255131 0.4028509), wk = 0.0036101 k( 86) = ( -0.2285493 0.3134570 0.3879305), wk = 0.0036101 k( 87) = ( -0.2197589 0.3014010 0.3730101), wk = 0.0036101 k( 88) = ( -0.2109686 0.2893450 0.3580897), wk = 0.0036101 k( 89) = ( -0.2021782 0.2772889 0.3431693), wk = 0.0036101 k( 90) = ( -0.1933879 0.2652329 0.3282489), wk = 0.0036101 k( 91) = ( -0.1845975 0.2531769 0.3133285), wk = 0.0036101 k( 92) = ( -0.1758071 0.2411208 0.2984081), wk = 0.0036101 k( 93) = ( -0.1670168 0.2290648 0.2834877), wk = 0.0036101 k( 94) = ( -0.1582264 0.2170087 0.2685673), wk = 0.0036101 k( 95) = ( -0.1494361 0.2049527 0.2536469), wk = 0.0036101 k( 96) = ( -0.1406457 0.1928966 0.2387265), wk = 0.0036101 k( 97) = ( -0.1318554 0.1808406 0.2238061), wk = 0.0036101 k( 98) = ( -0.1230650 0.1687846 0.2088857), wk = 0.0036101 k( 99) = ( -0.1142746 0.1567285 0.1939653), wk = 0.0036101 k( 100) = ( -0.1054843 0.1446725 0.1790449), wk = 0.0036101 k( 101) = ( -0.0966939 0.1326164 0.1641245), wk = 0.0036101 k( 102) = ( -0.0879036 0.1205604 0.1492041), wk = 0.0036101 k( 103) = ( -0.0791132 0.1085044 0.1342836), wk = 0.0036101 k( 104) = ( -0.0703229 0.0964483 0.1193632), wk = 0.0036101 k( 105) = ( -0.0615325 0.0843923 0.1044428), wk = 0.0036101 k( 106) = ( -0.0527421 0.0723362 0.0895224), wk = 0.0036101 k( 107) = ( -0.0439518 0.0602802 0.0746020), wk = 0.0036101 k( 108) = ( -0.0351614 0.0482242 0.0596816), wk = 0.0036101 k( 109) = ( -0.0263711 0.0361681 0.0447612), wk = 0.0036101 k( 110) = ( -0.0175807 0.0241121 0.0298408), wk = 0.0036101 k( 111) = ( -0.0087904 0.0120560 0.0149204), wk = 0.0036101 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 114) = ( 0.0172414 0.0125711 0.0000000), wk = 0.0036101 k( 115) = ( 0.0344828 0.0251422 0.0000000), wk = 0.0036101 k( 116) = ( 0.0517241 0.0377133 0.0000000), wk = 0.0036101 k( 117) = ( 0.0689655 0.0502845 0.0000000), wk = 0.0036101 k( 118) = ( 0.0862069 0.0628556 0.0000000), wk = 0.0036101 k( 119) = ( 0.1034483 0.0754267 0.0000000), wk = 0.0036101 k( 120) = ( 0.1206897 0.0879978 0.0000000), wk = 0.0036101 k( 121) = ( 0.1379310 0.1005689 0.0000000), wk = 0.0036101 k( 122) = ( 0.1551724 0.1131400 0.0000000), wk = 0.0036101 k( 123) = ( 0.1724138 0.1257112 0.0000000), wk = 0.0036101 k( 124) = ( 0.1896552 0.1382823 0.0000000), wk = 0.0036101 k( 125) = ( 0.2068966 0.1508534 0.0000000), wk = 0.0036101 k( 126) = ( 0.2241379 0.1634245 0.0000000), wk = 0.0036101 k( 127) = ( 0.2413793 0.1759956 0.0000000), wk = 0.0036101 k( 128) = ( 0.2586207 0.1885667 0.0000000), wk = 0.0036101 k( 129) = ( 0.2758621 0.2011379 0.0000000), wk = 0.0036101 k( 130) = ( 0.2931034 0.2137090 0.0000000), wk = 0.0036101 k( 131) = ( 0.3103448 0.2262801 0.0000000), wk = 0.0036101 k( 132) = ( 0.3275862 0.2388512 0.0000000), wk = 0.0036101 k( 133) = ( 0.3448276 0.2514223 0.0000000), wk = 0.0036101 k( 134) = ( 0.3620690 0.2639934 0.0000000), wk = 0.0036101 k( 135) = ( 0.3793103 0.2765645 0.0000000), wk = 0.0036101 k( 136) = ( 0.3965517 0.2891357 0.0000000), wk = 0.0036101 k( 137) = ( 0.4137931 0.3017068 0.0000000), wk = 0.0036101 k( 138) = ( 0.4310345 0.3142779 0.0000000), wk = 0.0036101 k( 139) = ( 0.4482759 0.3268490 0.0000000), wk = 0.0036101 k( 140) = ( 0.4655172 0.3394201 0.0000000), wk = 0.0036101 k( 141) = ( 0.4827586 0.3519912 0.0000000), wk = 0.0036101 k( 142) = ( 0.5000000 0.3645624 0.0000000), wk = 0.0036101 k( 143) = ( 0.5000000 0.3645624 0.0000000), wk = 0.0036101 k( 144) = ( 0.4912597 0.3765498 0.0148355), wk = 0.0036101 k( 145) = ( 0.4825193 0.3885372 0.0296710), wk = 0.0036101 k( 146) = ( 0.4737790 0.4005247 0.0445065), wk = 0.0036101 k( 147) = ( 0.4650386 0.4125121 0.0593420), wk = 0.0036101 k( 148) = ( 0.4562983 0.4244996 0.0741775), wk = 0.0036101 k( 149) = ( 0.4475580 0.4364870 0.0890130), wk = 0.0036101 k( 150) = ( 0.4388176 0.4484744 0.1038486), wk = 0.0036101 k( 151) = ( 0.4300773 0.4604619 0.1186841), wk = 0.0036101 k( 152) = ( 0.4213369 0.4724493 0.1335196), wk = 0.0036101 k( 153) = ( 0.4125966 0.4844368 0.1483551), wk = 0.0036101 k( 154) = ( 0.4038563 0.4964242 0.1631906), wk = 0.0036101 k( 155) = ( 0.3951159 0.5084117 0.1780261), wk = 0.0036101 k( 156) = ( 0.3863756 0.5203991 0.1928616), wk = 0.0036101 k( 157) = ( 0.3776352 0.5323865 0.2076971), wk = 0.0036101 k( 158) = ( 0.3688949 0.5443740 0.2225326), wk = 0.0036101 k( 159) = ( 0.3601546 0.5563614 0.2373681), wk = 0.0036101 k( 160) = ( 0.3514142 0.5683489 0.2522036), wk = 0.0036101 k( 161) = ( 0.3426739 0.5803363 0.2670391), wk = 0.0036101 k( 162) = ( 0.3339335 0.5923237 0.2818747), wk = 0.0036101 k( 163) = ( 0.3251932 0.6043112 0.2967102), wk = 0.0036101 k( 164) = ( 0.3164529 0.6162986 0.3115457), wk = 0.0036101 k( 165) = ( 0.3164529 0.6162986 0.3115457), wk = 0.0036101 k( 166) = ( 0.2978380 0.6109374 0.3181806), wk = 0.0036101 k( 167) = ( 0.2792231 0.6055762 0.3248156), wk = 0.0036101 k( 168) = ( 0.2606082 0.6002150 0.3314506), wk = 0.0036101 k( 169) = ( 0.2419934 0.5948538 0.3380856), wk = 0.0036101 k( 170) = ( 0.2233785 0.5894926 0.3447205), wk = 0.0036101 k( 171) = ( 0.2047636 0.5841314 0.3513555), wk = 0.0036101 k( 172) = ( 0.1861487 0.5787702 0.3579905), wk = 0.0036101 k( 173) = ( 0.1675339 0.5734090 0.3646254), wk = 0.0036101 k( 174) = ( 0.1489190 0.5680477 0.3712604), wk = 0.0036101 k( 175) = ( 0.1303041 0.5626865 0.3778954), wk = 0.0036101 k( 176) = ( 0.1116892 0.5573253 0.3845303), wk = 0.0036101 k( 177) = ( 0.0930744 0.5519641 0.3911653), wk = 0.0036101 k( 178) = ( 0.0744595 0.5466029 0.3978003), wk = 0.0036101 k( 179) = ( 0.0558446 0.5412417 0.4044352), wk = 0.0036101 k( 180) = ( 0.0372297 0.5358805 0.4110702), wk = 0.0036101 k( 181) = ( 0.0186149 0.5305193 0.4177052), wk = 0.0036101 k( 182) = ( 0.0000000 0.5251580 0.4243401), wk = 0.0036101 k( 183) = ( 0.0000000 0.5251580 0.4243401), wk = 0.0036101 k( 184) = ( 0.0089286 0.5129124 0.4394951), wk = 0.0036101 k( 185) = ( 0.0178571 0.5006668 0.4546501), wk = 0.0036101 k( 186) = ( 0.0267857 0.4884212 0.4698051), wk = 0.0036101 k( 187) = ( 0.0357143 0.4761756 0.4849602), wk = 0.0036101 k( 188) = ( 0.0446429 0.4639300 0.5001152), wk = 0.0036101 k( 189) = ( 0.0535714 0.4516844 0.5152702), wk = 0.0036101 k( 190) = ( 0.0625000 0.4394388 0.5304252), wk = 0.0036101 k( 191) = ( 0.0714286 0.4271932 0.5455802), wk = 0.0036101 k( 192) = ( 0.0803571 0.4149476 0.5607352), wk = 0.0036101 k( 193) = ( 0.0892857 0.4027020 0.5758902), wk = 0.0036101 k( 194) = ( 0.0982143 0.3904564 0.5910452), wk = 0.0036101 k( 195) = ( 0.1071429 0.3782108 0.6062002), wk = 0.0036101 k( 196) = ( 0.1160714 0.3659652 0.6213552), wk = 0.0036101 k( 197) = ( 0.1250000 0.3537196 0.6365102), wk = 0.0036101 k( 198) = ( 0.1339286 0.3414740 0.6516652), wk = 0.0036101 k( 199) = ( 0.1428571 0.3292284 0.6668202), wk = 0.0036101 k( 200) = ( 0.1517857 0.3169828 0.6819752), wk = 0.0036101 k( 201) = ( 0.1607143 0.3047372 0.6971302), wk = 0.0036101 k( 202) = ( 0.1696429 0.2924916 0.7122852), wk = 0.0036101 k( 203) = ( 0.1785714 0.2802460 0.7274402), wk = 0.0036101 k( 204) = ( 0.1875000 0.2680004 0.7425952), wk = 0.0036101 k( 205) = ( 0.1964286 0.2557548 0.7577502), wk = 0.0036101 k( 206) = ( 0.2053571 0.2435092 0.7729052), wk = 0.0036101 k( 207) = ( 0.2142857 0.2312636 0.7880602), wk = 0.0036101 k( 208) = ( 0.2232143 0.2190180 0.8032153), wk = 0.0036101 k( 209) = ( 0.2321429 0.2067724 0.8183703), wk = 0.0036101 k( 210) = ( 0.2410714 0.1945268 0.8335253), wk = 0.0036101 k( 211) = ( 0.2500000 0.1822812 0.8486803), wk = 0.0036101 k( 212) = ( 0.2500000 0.1822812 0.8486803), wk = 0.0036101 k( 213) = ( 0.2638889 0.1924079 0.8361476), wk = 0.0036101 k( 214) = ( 0.2777778 0.2025346 0.8236148), wk = 0.0036101 k( 215) = ( 0.2916667 0.2126614 0.8110821), wk = 0.0036101 k( 216) = ( 0.3055556 0.2227881 0.7985494), wk = 0.0036101 k( 217) = ( 0.3194444 0.2329148 0.7860167), wk = 0.0036101 k( 218) = ( 0.3333333 0.2430416 0.7734840), wk = 0.0036101 k( 219) = ( 0.3472222 0.2531683 0.7609512), wk = 0.0036101 k( 220) = ( 0.3611111 0.2632950 0.7484185), wk = 0.0036101 k( 221) = ( 0.3750000 0.2734218 0.7358858), wk = 0.0036101 k( 222) = ( 0.3888889 0.2835485 0.7233531), wk = 0.0036101 k( 223) = ( 0.4027778 0.2936752 0.7108204), wk = 0.0036101 k( 224) = ( 0.4166667 0.3038020 0.6982877), wk = 0.0036101 k( 225) = ( 0.4305556 0.3139287 0.6857550), wk = 0.0036101 k( 226) = ( 0.4444444 0.3240554 0.6732222), wk = 0.0036101 k( 227) = ( 0.4583333 0.3341822 0.6606895), wk = 0.0036101 k( 228) = ( 0.4722222 0.3443089 0.6481568), wk = 0.0036101 k( 229) = ( 0.4861111 0.3544356 0.6356241), wk = 0.0036101 k( 230) = ( 0.5000000 0.3645624 0.6230914), wk = 0.0036101 k( 231) = ( 0.5000000 0.3645624 0.6230914), wk = 0.0036101 k( 232) = ( 0.5000000 0.3645624 0.6023216), wk = 0.0036101 k( 233) = ( 0.5000000 0.3645624 0.5815519), wk = 0.0036101 k( 234) = ( 0.5000000 0.3645624 0.5607822), wk = 0.0036101 k( 235) = ( 0.5000000 0.3645624 0.5400125), wk = 0.0036101 k( 236) = ( 0.5000000 0.3645624 0.5192428), wk = 0.0036101 k( 237) = ( 0.5000000 0.3645624 0.4984731), wk = 0.0036101 k( 238) = ( 0.5000000 0.3645624 0.4777034), wk = 0.0036101 k( 239) = ( 0.5000000 0.3645624 0.4569337), wk = 0.0036101 k( 240) = ( 0.5000000 0.3645624 0.4361639), wk = 0.0036101 k( 241) = ( 0.5000000 0.3645624 0.4153942), wk = 0.0036101 k( 242) = ( 0.5000000 0.3645624 0.3946245), wk = 0.0036101 k( 243) = ( 0.5000000 0.3645624 0.3738548), wk = 0.0036101 k( 244) = ( 0.5000000 0.3645624 0.3530851), wk = 0.0036101 k( 245) = ( 0.5000000 0.3645624 0.3323154), wk = 0.0036101 k( 246) = ( 0.5000000 0.3645624 0.3115457), wk = 0.0036101 k( 247) = ( 0.5000000 0.3645624 0.2907760), wk = 0.0036101 k( 248) = ( 0.5000000 0.3645624 0.2700063), wk = 0.0036101 k( 249) = ( 0.5000000 0.3645624 0.2492366), wk = 0.0036101 k( 250) = ( 0.5000000 0.3645624 0.2284668), wk = 0.0036101 k( 251) = ( 0.5000000 0.3645624 0.2076971), wk = 0.0036101 k( 252) = ( 0.5000000 0.3645624 0.1869274), wk = 0.0036101 k( 253) = ( 0.5000000 0.3645624 0.1661577), wk = 0.0036101 k( 254) = ( 0.5000000 0.3645624 0.1453880), wk = 0.0036101 k( 255) = ( 0.5000000 0.3645624 0.1246183), wk = 0.0036101 k( 256) = ( 0.5000000 0.3645624 0.1038486), wk = 0.0036101 k( 257) = ( 0.5000000 0.3645624 0.0830789), wk = 0.0036101 k( 258) = ( 0.5000000 0.3645624 0.0623091), wk = 0.0036101 k( 259) = ( 0.5000000 0.3645624 0.0415394), wk = 0.0036101 k( 260) = ( 0.5000000 0.3645624 0.0207697), wk = 0.0036101 k( 261) = ( 0.5000000 0.3645624 0.0000000), wk = 0.0036101 k( 262) = ( 0.0000000 0.0000000 0.8486803), wk = 0.0036101 k( 263) = ( 0.0166667 0.0121521 0.8486803), wk = 0.0036101 k( 264) = ( 0.0333333 0.0243042 0.8486803), wk = 0.0036101 k( 265) = ( 0.0500000 0.0364562 0.8486803), wk = 0.0036101 k( 266) = ( 0.0666667 0.0486083 0.8486803), wk = 0.0036101 k( 267) = ( 0.0833333 0.0607604 0.8486803), wk = 0.0036101 k( 268) = ( 0.1000000 0.0729125 0.8486803), wk = 0.0036101 k( 269) = ( 0.1166667 0.0850646 0.8486803), wk = 0.0036101 k( 270) = ( 0.1333333 0.0972166 0.8486803), wk = 0.0036101 k( 271) = ( 0.1500000 0.1093687 0.8486803), wk = 0.0036101 k( 272) = ( 0.1666667 0.1215208 0.8486803), wk = 0.0036101 k( 273) = ( 0.1833333 0.1336729 0.8486803), wk = 0.0036101 k( 274) = ( 0.2000000 0.1458249 0.8486803), wk = 0.0036101 k( 275) = ( 0.2166667 0.1579770 0.8486803), wk = 0.0036101 k( 276) = ( 0.2333333 0.1701291 0.8486803), wk = 0.0036101 k( 277) = ( 0.2500000 0.1822812 0.8486803), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036101 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036101 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036101 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036101 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036101 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 43) = ( -0.0120823 0.0120823 0.5000000), wk = 0.0036101 k( 44) = ( -0.0241647 0.0241647 0.5000000), wk = 0.0036101 k( 45) = ( -0.0362470 0.0362470 0.5000000), wk = 0.0036101 k( 46) = ( -0.0483294 0.0483294 0.5000000), wk = 0.0036101 k( 47) = ( -0.0604117 0.0604117 0.5000000), wk = 0.0036101 k( 48) = ( -0.0724940 0.0724940 0.5000000), wk = 0.0036101 k( 49) = ( -0.0845764 0.0845764 0.5000000), wk = 0.0036101 k( 50) = ( -0.0966587 0.0966587 0.5000000), wk = 0.0036101 k( 51) = ( -0.1087410 0.1087410 0.5000000), wk = 0.0036101 k( 52) = ( -0.1208234 0.1208234 0.5000000), wk = 0.0036101 k( 53) = ( -0.1329057 0.1329057 0.5000000), wk = 0.0036101 k( 54) = ( -0.1329057 0.1329057 0.5000000), wk = 0.0036101 k( 55) = ( -0.1416460 0.1416460 0.4912597), wk = 0.0036101 k( 56) = ( -0.1503864 0.1503864 0.4825193), wk = 0.0036101 k( 57) = ( -0.1591267 0.1591267 0.4737790), wk = 0.0036101 k( 58) = ( -0.1678671 0.1678671 0.4650386), wk = 0.0036101 k( 59) = ( -0.1766074 0.1766074 0.4562983), wk = 0.0036101 k( 60) = ( -0.1853478 0.1853478 0.4475580), wk = 0.0036101 k( 61) = ( -0.1940881 0.1940881 0.4388176), wk = 0.0036101 k( 62) = ( -0.2028284 0.2028284 0.4300773), wk = 0.0036101 k( 63) = ( -0.2115688 0.2115688 0.4213369), wk = 0.0036101 k( 64) = ( -0.2203091 0.2203091 0.4125966), wk = 0.0036101 k( 65) = ( -0.2290494 0.2290495 0.4038563), wk = 0.0036101 k( 66) = ( -0.2377898 0.2377898 0.3951159), wk = 0.0036101 k( 67) = ( -0.2465301 0.2465301 0.3863756), wk = 0.0036101 k( 68) = ( -0.2552705 0.2552705 0.3776352), wk = 0.0036101 k( 69) = ( -0.2640108 0.2640108 0.3688949), wk = 0.0036101 k( 70) = ( -0.2727511 0.2727511 0.3601546), wk = 0.0036101 k( 71) = ( -0.2814915 0.2814915 0.3514142), wk = 0.0036101 k( 72) = ( -0.2902318 0.2902318 0.3426739), wk = 0.0036101 k( 73) = ( -0.2989722 0.2989722 0.3339335), wk = 0.0036101 k( 74) = ( -0.3077125 0.3077125 0.3251932), wk = 0.0036101 k( 75) = ( -0.3164529 0.3164529 0.3164529), wk = 0.0036101 k( 76) = ( -0.3164529 0.3164529 0.3164529), wk = 0.0036101 k( 77) = ( -0.3076625 0.3076625 0.3076625), wk = 0.0036101 k( 78) = ( -0.2988721 0.2988721 0.2988721), wk = 0.0036101 k( 79) = ( -0.2900818 0.2900818 0.2900818), wk = 0.0036101 k( 80) = ( -0.2812914 0.2812914 0.2812914), wk = 0.0036101 k( 81) = ( -0.2725011 0.2725011 0.2725011), wk = 0.0036101 k( 82) = ( -0.2637107 0.2637107 0.2637107), wk = 0.0036101 k( 83) = ( -0.2549204 0.2549204 0.2549204), wk = 0.0036101 k( 84) = ( -0.2461300 0.2461300 0.2461300), wk = 0.0036101 k( 85) = ( -0.2373396 0.2373396 0.2373396), wk = 0.0036101 k( 86) = ( -0.2285493 0.2285493 0.2285493), wk = 0.0036101 k( 87) = ( -0.2197589 0.2197589 0.2197589), wk = 0.0036101 k( 88) = ( -0.2109686 0.2109686 0.2109686), wk = 0.0036101 k( 89) = ( -0.2021782 0.2021782 0.2021782), wk = 0.0036101 k( 90) = ( -0.1933879 0.1933879 0.1933879), wk = 0.0036101 k( 91) = ( -0.1845975 0.1845975 0.1845975), wk = 0.0036101 k( 92) = ( -0.1758071 0.1758071 0.1758071), wk = 0.0036101 k( 93) = ( -0.1670168 0.1670168 0.1670168), wk = 0.0036101 k( 94) = ( -0.1582264 0.1582264 0.1582264), wk = 0.0036101 k( 95) = ( -0.1494361 0.1494361 0.1494361), wk = 0.0036101 k( 96) = ( -0.1406457 0.1406457 0.1406457), wk = 0.0036101 k( 97) = ( -0.1318554 0.1318554 0.1318554), wk = 0.0036101 k( 98) = ( -0.1230650 0.1230650 0.1230650), wk = 0.0036101 k( 99) = ( -0.1142746 0.1142746 0.1142746), wk = 0.0036101 k( 100) = ( -0.1054843 0.1054843 0.1054843), wk = 0.0036101 k( 101) = ( -0.0966939 0.0966939 0.0966939), wk = 0.0036101 k( 102) = ( -0.0879036 0.0879036 0.0879036), wk = 0.0036101 k( 103) = ( -0.0791132 0.0791132 0.0791132), wk = 0.0036101 k( 104) = ( -0.0703229 0.0703229 0.0703229), wk = 0.0036101 k( 105) = ( -0.0615325 0.0615325 0.0615325), wk = 0.0036101 k( 106) = ( -0.0527421 0.0527421 0.0527421), wk = 0.0036101 k( 107) = ( -0.0439518 0.0439518 0.0439518), wk = 0.0036101 k( 108) = ( -0.0351614 0.0351614 0.0351614), wk = 0.0036101 k( 109) = ( -0.0263711 0.0263711 0.0263711), wk = 0.0036101 k( 110) = ( -0.0175807 0.0175807 0.0175807), wk = 0.0036101 k( 111) = ( -0.0087904 0.0087904 0.0087904), wk = 0.0036101 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 114) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0036101 k( 115) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0036101 k( 116) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0036101 k( 117) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0036101 k( 118) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0036101 k( 119) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0036101 k( 120) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0036101 k( 121) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0036101 k( 122) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0036101 k( 123) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0036101 k( 124) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0036101 k( 125) = ( 0.2068966 0.2068966 -0.2068965), wk = 0.0036101 k( 126) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0036101 k( 127) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0036101 k( 128) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0036101 k( 129) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0036101 k( 130) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0036101 k( 131) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0036101 k( 132) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0036101 k( 133) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0036101 k( 134) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0036101 k( 135) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0036101 k( 136) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0036101 k( 137) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0036101 k( 138) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0036101 k( 139) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0036101 k( 140) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0036101 k( 141) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0036101 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 144) = ( 0.4912597 0.5087403 -0.4912597), wk = 0.0036101 k( 145) = ( 0.4825193 0.5174807 -0.4825193), wk = 0.0036101 k( 146) = ( 0.4737790 0.5262210 -0.4737790), wk = 0.0036101 k( 147) = ( 0.4650386 0.5349614 -0.4650386), wk = 0.0036101 k( 148) = ( 0.4562983 0.5437017 -0.4562983), wk = 0.0036101 k( 149) = ( 0.4475580 0.5524420 -0.4475580), wk = 0.0036101 k( 150) = ( 0.4388176 0.5611824 -0.4388176), wk = 0.0036101 k( 151) = ( 0.4300773 0.5699227 -0.4300773), wk = 0.0036101 k( 152) = ( 0.4213369 0.5786631 -0.4213369), wk = 0.0036101 k( 153) = ( 0.4125966 0.5874034 -0.4125966), wk = 0.0036101 k( 154) = ( 0.4038563 0.5961437 -0.4038563), wk = 0.0036101 k( 155) = ( 0.3951159 0.6048841 -0.3951159), wk = 0.0036101 k( 156) = ( 0.3863756 0.6136244 -0.3863756), wk = 0.0036101 k( 157) = ( 0.3776352 0.6223648 -0.3776352), wk = 0.0036101 k( 158) = ( 0.3688949 0.6311051 -0.3688949), wk = 0.0036101 k( 159) = ( 0.3601546 0.6398454 -0.3601546), wk = 0.0036101 k( 160) = ( 0.3514142 0.6485858 -0.3514142), wk = 0.0036101 k( 161) = ( 0.3426739 0.6573261 -0.3426739), wk = 0.0036101 k( 162) = ( 0.3339335 0.6660665 -0.3339335), wk = 0.0036101 k( 163) = ( 0.3251932 0.6748068 -0.3251932), wk = 0.0036101 k( 164) = ( 0.3164529 0.6835471 -0.3164529), wk = 0.0036101 k( 165) = ( 0.3164529 0.6835471 -0.3164529), wk = 0.0036101 k( 166) = ( 0.2978380 0.6727502 -0.2978380), wk = 0.0036101 k( 167) = ( 0.2792231 0.6619534 -0.2792231), wk = 0.0036101 k( 168) = ( 0.2606082 0.6511565 -0.2606082), wk = 0.0036101 k( 169) = ( 0.2419934 0.6403596 -0.2419934), wk = 0.0036101 k( 170) = ( 0.2233785 0.6295627 -0.2233785), wk = 0.0036101 k( 171) = ( 0.2047636 0.6187658 -0.2047636), wk = 0.0036101 k( 172) = ( 0.1861487 0.6079689 -0.1861487), wk = 0.0036101 k( 173) = ( 0.1675339 0.5971720 -0.1675339), wk = 0.0036101 k( 174) = ( 0.1489190 0.5863751 -0.1489190), wk = 0.0036101 k( 175) = ( 0.1303041 0.5755782 -0.1303041), wk = 0.0036101 k( 176) = ( 0.1116892 0.5647813 -0.1116892), wk = 0.0036101 k( 177) = ( 0.0930744 0.5539844 -0.0930744), wk = 0.0036101 k( 178) = ( 0.0744595 0.5431876 -0.0744595), wk = 0.0036101 k( 179) = ( 0.0558446 0.5323907 -0.0558446), wk = 0.0036101 k( 180) = ( 0.0372297 0.5215938 -0.0372297), wk = 0.0036101 k( 181) = ( 0.0186149 0.5107969 -0.0186149), wk = 0.0036101 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036101 k( 183) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036101 k( 184) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036101 k( 185) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036101 k( 186) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036101 k( 187) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036101 k( 188) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036101 k( 189) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036101 k( 190) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036101 k( 191) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036101 k( 192) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036101 k( 193) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036101 k( 194) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036101 k( 195) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036101 k( 196) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036101 k( 197) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036101 k( 198) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036101 k( 199) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036101 k( 200) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036101 k( 201) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036101 k( 202) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036101 k( 203) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036101 k( 204) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036101 k( 205) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036101 k( 206) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036101 k( 207) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036101 k( 208) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036101 k( 209) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036101 k( 210) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036101 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 213) = ( 0.2638889 0.2638889 0.2287275), wk = 0.0036101 k( 214) = ( 0.2777778 0.2777778 0.2074549), wk = 0.0036101 k( 215) = ( 0.2916667 0.2916667 0.1861824), wk = 0.0036101 k( 216) = ( 0.3055556 0.3055556 0.1649098), wk = 0.0036101 k( 217) = ( 0.3194444 0.3194444 0.1436373), wk = 0.0036101 k( 218) = ( 0.3333333 0.3333333 0.1223648), wk = 0.0036101 k( 219) = ( 0.3472222 0.3472222 0.1010922), wk = 0.0036101 k( 220) = ( 0.3611111 0.3611111 0.0798197), wk = 0.0036101 k( 221) = ( 0.3750000 0.3750000 0.0585471), wk = 0.0036101 k( 222) = ( 0.3888889 0.3888889 0.0372746), wk = 0.0036101 k( 223) = ( 0.4027778 0.4027778 0.0160021), wk = 0.0036101 k( 224) = ( 0.4166667 0.4166667 -0.0052705), wk = 0.0036101 k( 225) = ( 0.4305556 0.4305556 -0.0265430), wk = 0.0036101 k( 226) = ( 0.4444444 0.4444444 -0.0478155), wk = 0.0036101 k( 227) = ( 0.4583333 0.4583333 -0.0690881), wk = 0.0036101 k( 228) = ( 0.4722222 0.4722222 -0.0903606), wk = 0.0036101 k( 229) = ( 0.4861111 0.4861111 -0.1116332), wk = 0.0036101 k( 230) = ( 0.5000000 0.5000000 -0.1329057), wk = 0.0036101 k( 231) = ( 0.5000000 0.5000000 -0.1329057), wk = 0.0036101 k( 232) = ( 0.5000000 0.5000000 -0.1451422), wk = 0.0036101 k( 233) = ( 0.5000000 0.5000000 -0.1573787), wk = 0.0036101 k( 234) = ( 0.5000000 0.5000000 -0.1696151), wk = 0.0036101 k( 235) = ( 0.5000000 0.5000000 -0.1818516), wk = 0.0036101 k( 236) = ( 0.5000000 0.5000000 -0.1940881), wk = 0.0036101 k( 237) = ( 0.5000000 0.5000000 -0.2063246), wk = 0.0036101 k( 238) = ( 0.5000000 0.5000000 -0.2185610), wk = 0.0036101 k( 239) = ( 0.5000000 0.5000000 -0.2307975), wk = 0.0036101 k( 240) = ( 0.5000000 0.5000000 -0.2430340), wk = 0.0036101 k( 241) = ( 0.5000000 0.5000000 -0.2552705), wk = 0.0036101 k( 242) = ( 0.5000000 0.5000000 -0.2675069), wk = 0.0036101 k( 243) = ( 0.5000000 0.5000000 -0.2797434), wk = 0.0036101 k( 244) = ( 0.5000000 0.5000000 -0.2919799), wk = 0.0036101 k( 245) = ( 0.5000000 0.5000000 -0.3042164), wk = 0.0036101 k( 246) = ( 0.5000000 0.5000000 -0.3164529), wk = 0.0036101 k( 247) = ( 0.5000000 0.5000000 -0.3286893), wk = 0.0036101 k( 248) = ( 0.5000000 0.5000000 -0.3409258), wk = 0.0036101 k( 249) = ( 0.5000000 0.5000000 -0.3531623), wk = 0.0036101 k( 250) = ( 0.5000000 0.5000000 -0.3653988), wk = 0.0036101 k( 251) = ( 0.5000000 0.5000000 -0.3776352), wk = 0.0036101 k( 252) = ( 0.5000000 0.5000000 -0.3898717), wk = 0.0036101 k( 253) = ( 0.5000000 0.5000000 -0.4021082), wk = 0.0036101 k( 254) = ( 0.5000000 0.5000000 -0.4143447), wk = 0.0036101 k( 255) = ( 0.5000000 0.5000000 -0.4265811), wk = 0.0036101 k( 256) = ( 0.5000000 0.5000000 -0.4388176), wk = 0.0036101 k( 257) = ( 0.5000000 0.5000000 -0.4510541), wk = 0.0036101 k( 258) = ( 0.5000000 0.5000000 -0.4632906), wk = 0.0036101 k( 259) = ( 0.5000000 0.5000000 -0.4755270), wk = 0.0036101 k( 260) = ( 0.5000000 0.5000000 -0.4877635), wk = 0.0036101 k( 261) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 263) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036101 k( 264) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036101 k( 265) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036101 k( 266) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036101 k( 267) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036101 k( 268) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036101 k( 269) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036101 k( 270) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036101 k( 271) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036101 k( 272) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036101 k( 273) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036101 k( 274) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036101 k( 275) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036101 k( 276) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036101 k( 277) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 Dense grid: 89595 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 47103 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 326, 62) NL pseudopotentials 0.48 Mb ( 163, 192) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2489) G-vector shells 0.01 Mb ( 1109) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.23 Mb ( 326, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.36 Mb ( 192, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnSiAs2.save/charge-density.dat Starting wfc are 84 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 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.4 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 11.2 secs Computing kpt #: 10 total cpu time spent up to now is 12.1 secs Computing kpt #: 11 total cpu time spent up to now is 13.1 secs Computing kpt #: 12 total cpu time spent up to now is 14.1 secs Computing kpt #: 13 total cpu time spent up to now is 15.1 secs Computing kpt #: 14 total cpu time spent up to now is 16.1 secs Computing kpt #: 15 total cpu time spent up to now is 17.1 secs Computing kpt #: 16 total cpu time spent up to now is 18.1 secs Computing kpt #: 17 total cpu time spent up to now is 19.2 secs Computing kpt #: 18 total cpu time spent up to now is 20.2 secs Computing kpt #: 19 total cpu time spent up to now is 21.5 secs Computing kpt #: 20 total cpu time spent up to now is 22.7 secs Computing kpt #: 21 total cpu time spent up to now is 23.9 secs Computing kpt #: 22 total cpu time spent up to now is 25.1 secs Computing kpt #: 23 total cpu time spent up to now is 26.3 secs Computing kpt #: 24 total cpu time spent up to now is 27.5 secs Computing kpt #: 25 total cpu time spent up to now is 28.6 secs Computing kpt #: 26 total cpu time spent up to now is 29.8 secs Computing kpt #: 27 total cpu time spent up to now is 30.9 secs Computing kpt #: 28 total cpu time spent up to now is 32.1 secs Computing kpt #: 29 total cpu time spent up to now is 33.3 secs Computing kpt #: 30 total cpu time spent up to now is 34.7 secs Computing kpt #: 31 total cpu time spent up to now is 35.9 secs Computing kpt #: 32 total cpu time spent up to now is 37.0 secs Computing kpt #: 33 total cpu time spent up to now is 38.2 secs Computing kpt #: 34 total cpu time spent up to now is 39.3 secs Computing kpt #: 35 total cpu time spent up to now is 40.5 secs Computing kpt #: 36 total cpu time spent up to now is 41.7 secs Computing kpt #: 37 total cpu time spent up to now is 42.9 secs Computing kpt #: 38 total cpu time spent up to now is 44.1 secs Computing kpt #: 39 total cpu time spent up to now is 45.3 secs Computing kpt #: 40 total cpu time spent up to now is 46.5 secs Computing kpt #: 41 total cpu time spent up to now is 47.6 secs Computing kpt #: 42 total cpu time spent up to now is 48.9 secs Computing kpt #: 43 total cpu time spent up to now is 50.0 secs Computing kpt #: 44 total cpu time spent up to now is 51.1 secs Computing kpt #: 45 total cpu time spent up to now is 52.2 secs Computing kpt #: 46 total cpu time spent up to now is 53.3 secs Computing kpt #: 47 total cpu time spent up to now is 54.6 secs Computing kpt #: 48 total cpu time spent up to now is 55.7 secs Computing kpt #: 49 total cpu time spent up to now is 56.9 secs Computing kpt #: 50 total cpu time spent up to now is 58.0 secs Computing kpt #: 51 total cpu time spent up to now is 59.2 secs Computing kpt #: 52 total cpu time spent up to now is 60.2 secs Computing kpt #: 53 total cpu time spent up to now is 61.2 secs Computing kpt #: 54 total cpu time spent up to now is 62.2 secs Computing kpt #: 55 total cpu time spent up to now is 63.2 secs Computing kpt #: 56 total cpu time spent up to now is 64.3 secs Computing kpt #: 57 total cpu time spent up to now is 65.5 secs Computing kpt #: 58 total cpu time spent up to now is 66.5 secs Computing kpt #: 59 total cpu time spent up to now is 67.5 secs Computing kpt #: 60 total cpu time spent up to now is 68.5 secs Computing kpt #: 61 total cpu time spent up to now is 69.5 secs Computing kpt #: 62 total cpu time spent up to now is 70.6 secs Computing kpt #: 63 total cpu time spent up to now is 71.5 secs Computing kpt #: 64 total cpu time spent up to now is 72.5 secs Computing kpt #: 65 total cpu time spent up to now is 73.5 secs Computing kpt #: 66 total cpu time spent up to now is 74.5 secs Computing kpt #: 67 total cpu time spent up to now is 75.5 secs Computing kpt #: 68 total cpu time spent up to now is 76.5 secs Computing kpt #: 69 total cpu time spent up to now is 77.5 secs Computing kpt #: 70 total cpu time spent up to now is 78.5 secs Computing kpt #: 71 total cpu time spent up to now is 79.6 secs Computing kpt #: 72 total cpu time spent up to now is 80.7 secs Computing kpt #: 73 total cpu time spent up to now is 81.9 secs Computing kpt #: 74 total cpu time spent up to now is 82.8 secs Computing kpt #: 75 total cpu time spent up to now is 83.8 secs Computing kpt #: 76 total cpu time spent up to now is 84.8 secs Computing kpt #: 77 total cpu time spent up to now is 85.9 secs Computing kpt #: 78 total cpu time spent up to now is 87.1 secs Computing kpt #: 79 total cpu time spent up to now is 88.3 secs Computing kpt #: 80 total cpu time spent up to now is 89.5 secs Computing kpt #: 81 total cpu time spent up to now is 90.8 secs Computing kpt #: 82 total cpu time spent up to now is 92.1 secs Computing kpt #: 83 total cpu time spent up to now is 93.4 secs Computing kpt #: 84 total cpu time spent up to now is 94.5 secs Computing kpt #: 85 total cpu time spent up to now is 95.7 secs Computing kpt #: 86 total cpu time spent up to now is 96.8 secs Computing kpt #: 87 total cpu time spent up to now is 97.9 secs Computing kpt #: 88 total cpu time spent up to now is 99.0 secs Computing kpt #: 89 total cpu time spent up to now is 100.1 secs Computing kpt #: 90 total cpu time spent up to now is 101.3 secs Computing kpt #: 91 total cpu time spent up to now is 102.4 secs Computing kpt #: 92 total cpu time spent up to now is 103.5 secs Computing kpt #: 93 total cpu time spent up to now is 104.7 secs Computing kpt #: 94 total cpu time spent up to now is 105.7 secs Computing kpt #: 95 total cpu time spent up to now is 106.8 secs Computing kpt #: 96 total cpu time spent up to now is 107.8 secs Computing kpt #: 97 total cpu time spent up to now is 108.8 secs Computing kpt #: 98 total cpu time spent up to now is 109.8 secs Computing kpt #: 99 total cpu time spent up to now is 110.8 secs Computing kpt #: 100 total cpu time spent up to now is 111.8 secs Computing kpt #: 101 total cpu time spent up to now is 112.7 secs Computing kpt #: 102 total cpu time spent up to now is 113.7 secs Computing kpt #: 103 total cpu time spent up to now is 114.7 secs Computing kpt #: 104 total cpu time spent up to now is 115.6 secs Computing kpt #: 105 total cpu time spent up to now is 116.5 secs Computing kpt #: 106 total cpu time spent up to now is 117.5 secs Computing kpt #: 107 total cpu time spent up to now is 118.4 secs Computing kpt #: 108 total cpu time spent up to now is 119.3 secs Computing kpt #: 109 total cpu time spent up to now is 120.2 secs Computing kpt #: 110 total cpu time spent up to now is 121.1 secs Computing kpt #: 111 total cpu time spent up to now is 122.1 secs Computing kpt #: 112 total cpu time spent up to now is 123.0 secs Computing kpt #: 113 total cpu time spent up to now is 123.9 secs Computing kpt #: 114 total cpu time spent up to now is 124.8 secs Computing kpt #: 115 total cpu time spent up to now is 125.7 secs Computing kpt #: 116 total cpu time spent up to now is 126.7 secs Computing kpt #: 117 total cpu time spent up to now is 127.7 secs Computing kpt #: 118 total cpu time spent up to now is 128.7 secs Computing kpt #: 119 total cpu time spent up to now is 129.8 secs Computing kpt #: 120 total cpu time spent up to now is 130.8 secs Computing kpt #: 121 total cpu time spent up to now is 131.9 secs Computing kpt #: 122 total cpu time spent up to now is 133.0 secs Computing kpt #: 123 total cpu time spent up to now is 134.0 secs Computing kpt #: 124 total cpu time spent up to now is 135.1 secs Computing kpt #: 125 total cpu time spent up to now is 136.2 secs Computing kpt #: 126 total cpu time spent up to now is 137.2 secs Computing kpt #: 127 total cpu time spent up to now is 138.3 secs Computing kpt #: 128 total cpu time spent up to now is 139.3 secs Computing kpt #: 129 total cpu time spent up to now is 140.4 secs Computing kpt #: 130 total cpu time spent up to now is 141.4 secs Computing kpt #: 131 total cpu time spent up to now is 142.4 secs Computing kpt #: 132 total cpu time spent up to now is 143.5 secs Computing kpt #: 133 total cpu time spent up to now is 144.5 secs Computing kpt #: 134 total cpu time spent up to now is 145.4 secs Computing kpt #: 135 total cpu time spent up to now is 146.4 secs Computing kpt #: 136 total cpu time spent up to now is 147.4 secs Computing kpt #: 137 total cpu time spent up to now is 148.4 secs Computing kpt #: 138 total cpu time spent up to now is 149.4 secs Computing kpt #: 139 total cpu time spent up to now is 150.3 secs Computing kpt #: 140 total cpu time spent up to now is 151.3 secs Computing kpt #: 141 total cpu time spent up to now is 152.4 secs Computing kpt #: 142 total cpu time spent up to now is 153.3 secs Computing kpt #: 143 total cpu time spent up to now is 154.3 secs Computing kpt #: 144 total cpu time spent up to now is 155.4 secs Computing kpt #: 145 total cpu time spent up to now is 156.4 secs Computing kpt #: 146 total cpu time spent up to now is 157.5 secs Computing kpt #: 147 total cpu time spent up to now is 158.5 secs Computing kpt #: 148 total cpu time spent up to now is 159.5 secs Computing kpt #: 149 total cpu time spent up to now is 160.6 secs Computing kpt #: 150 total cpu time spent up to now is 161.7 secs Computing kpt #: 151 total cpu time spent up to now is 162.6 secs Computing kpt #: 152 total cpu time spent up to now is 163.7 secs Computing kpt #: 153 total cpu time spent up to now is 164.7 secs Computing kpt #: 154 total cpu time spent up to now is 165.7 secs Computing kpt #: 155 total cpu time spent up to now is 166.9 secs Computing kpt #: 156 total cpu time spent up to now is 168.0 secs Computing kpt #: 157 total cpu time spent up to now is 169.2 secs Computing kpt #: 158 total cpu time spent up to now is 170.4 secs Computing kpt #: 159 total cpu time spent up to now is 171.5 secs Computing kpt #: 160 total cpu time spent up to now is 172.6 secs Computing kpt #: 161 total cpu time spent up to now is 173.6 secs Computing kpt #: 162 total cpu time spent up to now is 174.6 secs Computing kpt #: 163 total cpu time spent up to now is 175.6 secs Computing kpt #: 164 total cpu time spent up to now is 176.6 secs Computing kpt #: 165 total cpu time spent up to now is 177.6 secs Computing kpt #: 166 total cpu time spent up to now is 178.7 secs Computing kpt #: 167 total cpu time spent up to now is 179.9 secs Computing kpt #: 168 total cpu time spent up to now is 181.1 secs Computing kpt #: 169 total cpu time spent up to now is 182.1 secs Computing kpt #: 170 total cpu time spent up to now is 183.2 secs Computing kpt #: 171 total cpu time spent up to now is 184.3 secs Computing kpt #: 172 total cpu time spent up to now is 185.5 secs Computing kpt #: 173 total cpu time spent up to now is 186.7 secs Computing kpt #: 174 total cpu time spent up to now is 187.8 secs Computing kpt #: 175 total cpu time spent up to now is 188.9 secs Computing kpt #: 176 total cpu time spent up to now is 190.1 secs Computing kpt #: 177 total cpu time spent up to now is 191.3 secs Computing kpt #: 178 total cpu time spent up to now is 192.5 secs Computing kpt #: 179 total cpu time spent up to now is 193.7 secs Computing kpt #: 180 total cpu time spent up to now is 194.9 secs Computing kpt #: 181 total cpu time spent up to now is 196.1 secs Computing kpt #: 182 total cpu time spent up to now is 197.2 secs Computing kpt #: 183 total cpu time spent up to now is 198.4 secs Computing kpt #: 184 total cpu time spent up to now is 199.5 secs Computing kpt #: 185 total cpu time spent up to now is 200.7 secs Computing kpt #: 186 total cpu time spent up to now is 201.8 secs Computing kpt #: 187 total cpu time spent up to now is 203.0 secs Computing kpt #: 188 total cpu time spent up to now is 204.1 secs Computing kpt #: 189 total cpu time spent up to now is 205.3 secs Computing kpt #: 190 total cpu time spent up to now is 206.4 secs Computing kpt #: 191 total cpu time spent up to now is 207.5 secs Computing kpt #: 192 total cpu time spent up to now is 208.7 secs Computing kpt #: 193 total cpu time spent up to now is 209.8 secs Computing kpt #: 194 total cpu time spent up to now is 211.0 secs Computing kpt #: 195 total cpu time spent up to now is 212.1 secs Computing kpt #: 196 total cpu time spent up to now is 213.2 secs Computing kpt #: 197 total cpu time spent up to now is 214.3 secs Computing kpt #: 198 total cpu time spent up to now is 215.3 secs Computing kpt #: 199 total cpu time spent up to now is 216.3 secs Computing kpt #: 200 total cpu time spent up to now is 217.5 secs Computing kpt #: 201 total cpu time spent up to now is 218.4 secs Computing kpt #: 202 total cpu time spent up to now is 219.4 secs Computing kpt #: 203 total cpu time spent up to now is 220.4 secs Computing kpt #: 204 total cpu time spent up to now is 221.4 secs Computing kpt #: 205 total cpu time spent up to now is 222.4 secs Computing kpt #: 206 total cpu time spent up to now is 223.4 secs Computing kpt #: 207 total cpu time spent up to now is 224.4 secs Computing kpt #: 208 total cpu time spent up to now is 225.4 secs Computing kpt #: 209 total cpu time spent up to now is 226.4 secs Computing kpt #: 210 total cpu time spent up to now is 227.4 secs Computing kpt #: 211 total cpu time spent up to now is 228.5 secs Computing kpt #: 212 total cpu time spent up to now is 229.6 secs Computing kpt #: 213 total cpu time spent up to now is 230.7 secs Computing kpt #: 214 total cpu time spent up to now is 231.9 secs Computing kpt #: 215 total cpu time spent up to now is 232.9 secs Computing kpt #: 216 total cpu time spent up to now is 234.0 secs Computing kpt #: 217 total cpu time spent up to now is 235.0 secs Computing kpt #: 218 total cpu time spent up to now is 236.0 secs Computing kpt #: 219 total cpu time spent up to now is 237.0 secs Computing kpt #: 220 total cpu time spent up to now is 238.0 secs Computing kpt #: 221 total cpu time spent up to now is 239.0 secs Computing kpt #: 222 total cpu time spent up to now is 240.0 secs Computing kpt #: 223 total cpu time spent up to now is 241.0 secs Computing kpt #: 224 total cpu time spent up to now is 242.0 secs Computing kpt #: 225 total cpu time spent up to now is 243.0 secs Computing kpt #: 226 total cpu time spent up to now is 244.0 secs Computing kpt #: 227 total cpu time spent up to now is 245.1 secs Computing kpt #: 228 total cpu time spent up to now is 246.2 secs Computing kpt #: 229 total cpu time spent up to now is 247.4 secs Computing kpt #: 230 total cpu time spent up to now is 248.4 secs Computing kpt #: 231 total cpu time spent up to now is 249.5 secs Computing kpt #: 232 total cpu time spent up to now is 250.5 secs Computing kpt #: 233 total cpu time spent up to now is 251.4 secs Computing kpt #: 234 total cpu time spent up to now is 252.5 secs Computing kpt #: 235 total cpu time spent up to now is 253.6 secs Computing kpt #: 236 total cpu time spent up to now is 254.7 secs Computing kpt #: 237 total cpu time spent up to now is 255.7 secs Computing kpt #: 238 total cpu time spent up to now is 256.7 secs Computing kpt #: 239 total cpu time spent up to now is 257.9 secs Computing kpt #: 240 total cpu time spent up to now is 258.9 secs Computing kpt #: 241 total cpu time spent up to now is 259.9 secs Computing kpt #: 242 total cpu time spent up to now is 260.9 secs Computing kpt #: 243 total cpu time spent up to now is 262.0 secs Computing kpt #: 244 total cpu time spent up to now is 263.1 secs Computing kpt #: 245 total cpu time spent up to now is 264.1 secs Computing kpt #: 246 total cpu time spent up to now is 265.4 secs Computing kpt #: 247 total cpu time spent up to now is 266.8 secs Computing kpt #: 248 total cpu time spent up to now is 268.0 secs Computing kpt #: 249 total cpu time spent up to now is 269.1 secs Computing kpt #: 250 total cpu time spent up to now is 270.2 secs Computing kpt #: 251 total cpu time spent up to now is 271.2 secs Computing kpt #: 252 total cpu time spent up to now is 272.3 secs Computing kpt #: 253 total cpu time spent up to now is 273.4 secs Computing kpt #: 254 total cpu time spent up to now is 274.5 secs Computing kpt #: 255 total cpu time spent up to now is 275.5 secs Computing kpt #: 256 total cpu time spent up to now is 276.6 secs Computing kpt #: 257 total cpu time spent up to now is 277.6 secs Computing kpt #: 258 total cpu time spent up to now is 278.7 secs Computing kpt #: 259 total cpu time spent up to now is 279.7 secs Computing kpt #: 260 total cpu time spent up to now is 280.7 secs Computing kpt #: 261 total cpu time spent up to now is 281.7 secs Computing kpt #: 262 total cpu time spent up to now is 282.9 secs Computing kpt #: 263 total cpu time spent up to now is 284.0 secs Computing kpt #: 264 total cpu time spent up to now is 285.2 secs Computing kpt #: 265 total cpu time spent up to now is 286.3 secs Computing kpt #: 266 total cpu time spent up to now is 287.5 secs Computing kpt #: 267 total cpu time spent up to now is 288.7 secs Computing kpt #: 268 total cpu time spent up to now is 289.8 secs Computing kpt #: 269 total cpu time spent up to now is 291.0 secs Computing kpt #: 270 total cpu time spent up to now is 292.1 secs Computing kpt #: 271 total cpu time spent up to now is 293.2 secs Computing kpt #: 272 total cpu time spent up to now is 294.4 secs Computing kpt #: 273 total cpu time spent up to now is 295.6 secs Computing kpt #: 274 total cpu time spent up to now is 296.7 secs Computing kpt #: 275 total cpu time spent up to now is 297.8 secs Computing kpt #: 276 total cpu time spent up to now is 298.9 secs Computing kpt #: 277 total cpu time spent up to now is 300.0 secs ethr = 1.92E-08, avg # of iterations = 20.7 total cpu time spent up to now is 300.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5905 PWs) bands (ev): -6.7739 -6.7739 -4.3097 -4.3097 -4.3079 -4.3079 -4.2922 -4.2922 -2.2088 -2.2088 -0.6208 -0.6208 -0.5917 -0.5917 -0.5058 -0.5058 -0.4564 -0.4564 -0.3154 -0.3154 -0.2659 -0.2659 -0.2246 -0.2246 -0.1375 -0.1375 -0.1185 -0.1185 -0.0967 -0.0967 -0.0176 -0.0176 1.5983 1.5983 2.1515 2.1515 2.1569 2.1569 2.4265 2.4265 2.8588 2.8588 3.9895 3.9895 4.0566 4.0566 6.0946 6.0946 6.3494 6.3494 6.4621 6.4621 7.5440 7.5440 7.6012 7.6012 8.1011 8.1011 9.3736 9.3736 9.4223 9.4223 k = 0.0000 0.0000 0.0212 ( 5912 PWs) bands (ev): -6.7729 -6.7729 -4.3117 -4.3112 -4.3094 -4.3093 -4.2921 -4.2917 -2.2072 -2.2070 -0.6223 -0.6194 -0.5942 -0.5901 -0.5072 -0.5048 -0.4623 -0.4506 -0.3175 -0.3136 -0.2687 -0.2663 -0.2306 -0.2168 -0.1465 -0.1287 -0.1199 -0.1172 -0.0976 -0.0971 -0.0241 -0.0064 1.5967 1.5999 2.1429 2.1450 2.1599 2.1630 2.4254 2.4386 2.8586 2.8627 3.9858 3.9917 4.0555 4.0563 6.0808 6.0902 6.3368 6.3385 6.4520 6.4607 7.5490 7.5507 7.6191 7.6199 8.1052 8.1101 9.3719 9.3770 9.4217 9.4241 k = 0.0000 0.0000 0.0424 ( 5912 PWs) bands (ev): -6.7700 -6.7699 -4.3178 -4.3170 -4.3129 -4.3128 -4.2916 -4.2909 -2.2023 -2.2018 -0.6240 -0.6183 -0.5975 -0.5892 -0.5087 -0.5042 -0.4681 -0.4451 -0.3198 -0.3123 -0.2752 -0.2684 -0.2334 -0.2089 -0.1551 -0.1251 -0.1177 -0.1162 -0.0991 -0.0980 -0.0248 0.0082 1.5950 1.6013 2.1289 2.1363 2.1645 2.1655 2.4360 2.4600 2.8617 2.8696 3.9791 3.9920 4.0539 4.0565 6.0453 6.0659 6.3022 6.3112 6.4343 6.4482 7.5648 7.5684 7.6696 7.6717 8.1227 8.1326 9.3724 9.3815 9.4224 9.4275 k = 0.0000 0.0000 0.0637 ( 5906 PWs) bands (ev): -6.7650 -6.7650 -4.3274 -4.3265 -4.3182 -4.3181 -4.2912 -4.2905 -2.1940 -2.1933 -0.6259 -0.6174 -0.6014 -0.5892 -0.5105 -0.5044 -0.4732 -0.4401 -0.3225 -0.3118 -0.2838 -0.2713 -0.2338 -0.2019 -0.1632 -0.1285 -0.1154 -0.1128 -0.0988 -0.0983 -0.0201 0.0249 1.5931 1.6024 2.1148 2.1273 2.1642 2.1682 2.4570 2.4882 2.8674 2.8785 3.9676 3.9877 4.0557 4.0605 5.9822 6.0149 6.2578 6.2791 6.4121 6.4274 7.5897 7.5952 7.7438 7.7481 8.1548 8.1697 9.3750 9.3861 9.4250 9.4334 k = 0.0000 0.0000 0.0849 ( 5902 PWs) bands (ev): -6.7581 -6.7580 -4.3404 -4.3394 -4.3254 -4.3253 -4.2911 -4.2904 -2.1825 -2.1816 -0.6281 -0.6173 -0.6056 -0.5899 -0.5124 -0.5056 -0.4772 -0.4358 -0.3254 -0.3129 -0.2917 -0.2744 -0.2331 -0.1962 -0.1708 -0.1342 -0.1150 -0.1121 -0.0993 -0.0927 -0.0112 0.0426 1.5905 1.6024 2.1025 2.1195 2.1616 2.1718 2.4860 2.5215 2.8744 2.8880 3.9513 3.9775 4.0639 4.0700 5.8909 5.9324 6.2166 6.2502 6.3865 6.4002 7.6209 7.6284 7.8322 7.8396 8.2030 8.2227 9.3787 9.3899 9.4309 9.4428 k = 0.0000 0.0000 0.1061 ( 5904 PWs) bands (ev): -6.7492 -6.7491 -4.3564 -4.3555 -4.3345 -4.3344 -4.2913 -4.2906 -2.1680 -2.1669 -0.6306 -0.6191 -0.6086 -0.5912 -0.5145 -0.5081 -0.4798 -0.4323 -0.3286 -0.3173 -0.2962 -0.2775 -0.2320 -0.1918 -0.1778 -0.1409 -0.1150 -0.1131 -0.0993 -0.0855 0.0006 0.0606 1.5868 1.6010 2.0938 2.1141 2.1599 2.1760 2.5209 2.5583 2.8810 2.8965 3.9330 3.9640 4.0786 4.0849 5.7773 5.8237 6.1801 6.2244 6.3585 6.3682 7.6557 7.6648 7.9269 7.9384 8.2686 8.2927 9.3819 9.3925 9.4421 9.4564 k = 0.0000 0.0000 0.1273 ( 5906 PWs) bands (ev): -6.7384 -6.7383 -4.3754 -4.3744 -4.3455 -4.3454 -4.2918 -4.2911 -2.1506 -2.1494 -0.6335 -0.6239 -0.6094 -0.5931 -0.5169 -0.5119 -0.4808 -0.4297 -0.3320 -0.3242 -0.2972 -0.2803 -0.2311 -0.1885 -0.1842 -0.1481 -0.1153 -0.1142 -0.0987 -0.0786 0.0140 0.0781 1.5817 1.5973 2.0900 2.1124 2.1607 2.1817 2.5598 2.5977 2.8856 2.9022 3.9161 3.9512 4.0984 4.1043 5.6487 5.6981 6.1430 6.1978 6.3299 6.3337 7.6915 7.7020 8.0220 8.0384 8.3525 8.3802 9.3834 9.3940 9.4598 9.4745 k = 0.0000 0.0000 0.1485 ( 5898 PWs) bands (ev): -6.7256 -6.7255 -4.3971 -4.3961 -4.3581 -4.3580 -4.2926 -4.2920 -2.1306 -2.1292 -0.6370 -0.6308 -0.6090 -0.5952 -0.5193 -0.5164 -0.4807 -0.4282 -0.3354 -0.3314 -0.2964 -0.2829 -0.2307 -0.1898 -0.1862 -0.1552 -0.1160 -0.1150 -0.0975 -0.0726 0.0279 0.0944 1.5748 1.5910 2.0919 2.1150 2.1655 2.1890 2.6014 2.6387 2.8870 2.9042 3.9039 3.9423 4.1220 4.1272 5.5111 5.5628 6.1006 6.1653 6.3004 6.3028 7.7271 7.7383 8.1137 8.1355 8.4541 8.4845 9.3830 9.3946 9.4839 9.4971 k = 0.0000 0.0000 0.1697 ( 5902 PWs) bands (ev): -6.7110 -6.7108 -4.4213 -4.4203 -4.3723 -4.3722 -4.2938 -4.2932 -2.1080 -2.1066 -0.6411 -0.6388 -0.6081 -0.5976 -0.5220 -0.5211 -0.4800 -0.4278 -0.3390 -0.3377 -0.2949 -0.2851 -0.2308 -0.1945 -0.1846 -0.1619 -0.1170 -0.1156 -0.0959 -0.0677 0.0413 0.1090 1.5658 1.5816 2.1004 2.1221 2.1750 2.1978 2.6446 2.6805 2.8850 2.9020 3.8990 3.9403 4.1485 4.1527 5.3687 5.4227 6.0504 6.1228 6.2714 6.2783 7.7618 7.7732 8.1990 8.2267 8.5717 8.6039 9.3814 9.3950 9.5136 9.5238 k = 0.0000 0.0000 0.1910 ( 5904 PWs) bands (ev): -6.6944 -6.6942 -4.4477 -4.4468 -4.3878 -4.3877 -4.2954 -4.2948 -2.0832 -2.0817 -0.6475 -0.6459 -0.6070 -0.6000 -0.5257 -0.5249 -0.4787 -0.4286 -0.3429 -0.3424 -0.2929 -0.2869 -0.2316 -0.1983 -0.1837 -0.1682 -0.1184 -0.1162 -0.0939 -0.0638 0.0535 0.1213 1.5549 1.5693 2.1162 2.1330 2.1901 2.2071 2.6886 2.7225 2.8809 2.8967 3.9031 3.9466 4.1766 4.1795 5.2249 5.2815 5.9921 6.0691 6.2478 6.2567 7.7956 7.8069 8.2765 8.3099 8.7028 8.7357 9.3793 9.3960 9.5477 9.5543 k = 0.0000 0.0000 0.2122 ( 5908 PWs) bands (ev): -6.6760 -6.6757 -4.4762 -4.4752 -4.4047 -4.4045 -4.2975 -4.2969 -2.0563 -2.0548 -0.6568 -0.6513 -0.6058 -0.6024 -0.5301 -0.5279 -0.4773 -0.4303 -0.3469 -0.3459 -0.2906 -0.2885 -0.2331 -0.2012 -0.1833 -0.1739 -0.1201 -0.1167 -0.0917 -0.0610 0.0638 0.1310 1.5420 1.5541 2.1395 2.1458 2.2115 2.2149 2.7325 2.7632 2.8779 2.8908 3.9170 3.9620 4.2045 4.2055 5.0829 5.1427 5.9263 6.0059 6.2282 6.2372 7.8289 7.8397 8.3455 8.3843 8.8435 8.8755 9.3783 9.3996 9.5854 9.5881 k = 0.0000 0.0000 0.2334 ( 5904 PWs) bands (ev): -6.6557 -6.6554 -4.5064 -4.5054 -4.4225 -4.4223 -4.3001 -4.2995 -2.0276 -2.0262 -0.6665 -0.6574 -0.6046 -0.6045 -0.5340 -0.5309 -0.4756 -0.4328 -0.3500 -0.3491 -0.2897 -0.2879 -0.2351 -0.2032 -0.1840 -0.1786 -0.1221 -0.1171 -0.0892 -0.0592 0.0720 0.1378 1.5273 1.5364 2.1577 2.1707 2.2190 2.2400 2.7748 2.8004 2.8817 2.8886 3.9402 3.9861 4.2277 4.2288 4.9470 5.0104 5.8542 5.9353 6.2108 6.2191 7.8621 7.8722 8.4061 8.4496 8.9874 9.0158 9.3821 9.4111 9.6246 9.6256 k = 0.0000 0.0000 0.2546 ( 5912 PWs) bands (ev): -6.6336 -6.6333 -4.5381 -4.5371 -4.4413 -4.4411 -4.3033 -4.3027 -1.9972 -1.9959 -0.6765 -0.6642 -0.6064 -0.6034 -0.5376 -0.5341 -0.4739 -0.4360 -0.3523 -0.3522 -0.2907 -0.2850 -0.2375 -0.2046 -0.1869 -0.1810 -0.1244 -0.1176 -0.0865 -0.0586 0.0777 0.1417 1.5111 1.5165 2.1655 2.2068 2.2194 2.2764 2.8132 2.8314 2.8962 2.8990 3.9718 4.0181 4.2402 4.2435 4.8240 4.8911 5.7773 5.8591 6.1945 6.2016 7.8955 7.9049 8.4585 8.5059 9.1199 9.1393 9.4026 9.4449 9.6631 9.6674 k = 0.0000 0.0000 0.2758 ( 5904 PWs) bands (ev): -6.6098 -6.6095 -4.5710 -4.5700 -4.4607 -4.4605 -4.3071 -4.3065 -1.9653 -1.9642 -0.6866 -0.6714 -0.6080 -0.6020 -0.5408 -0.5372 -0.4722 -0.4397 -0.3552 -0.3543 -0.2915 -0.2819 -0.2400 -0.2056 -0.1912 -0.1819 -0.1271 -0.1181 -0.0837 -0.0589 0.0808 0.1426 1.4933 1.4947 2.1668 2.2037 2.2587 2.3208 2.8467 2.8594 2.9182 2.9298 4.0104 4.0568 4.2337 4.2370 4.7258 4.7946 5.6965 5.7787 6.1785 6.1844 7.9295 7.9381 8.5037 8.5541 9.2080 9.2173 9.4697 9.5266 9.7030 9.7101 k = 0.0000 0.0000 0.2970 ( 5914 PWs) bands (ev): -6.5842 -6.5839 -4.6050 -4.6040 -4.4807 -4.4805 -4.3118 -4.3112 -1.9321 -1.9313 -0.6969 -0.6791 -0.6095 -0.6007 -0.5436 -0.5403 -0.4704 -0.4437 -0.3579 -0.3561 -0.2921 -0.2787 -0.2425 -0.2062 -0.1957 -0.1825 -0.1301 -0.1188 -0.0807 -0.0602 0.0815 0.1405 1.4711 1.4742 2.1604 2.1841 2.3133 2.3727 2.8801 2.8930 2.9524 2.9676 4.0545 4.1004 4.1954 4.1972 4.6672 4.7323 5.6131 5.6954 6.1623 6.1670 7.9644 7.9721 8.5424 8.5947 9.2372 9.2455 9.5933 9.6559 9.7434 9.7528 k = 0.0000 0.0000 0.3183 ( 5910 PWs) bands (ev): -6.5570 -6.5566 -4.6399 -4.6388 -4.5010 -4.5008 -4.3172 -4.3166 -1.8977 -1.8973 -0.7073 -0.6871 -0.6108 -0.5994 -0.5460 -0.5434 -0.4686 -0.4481 -0.3604 -0.3578 -0.2925 -0.2753 -0.2449 -0.2068 -0.2002 -0.1831 -0.1334 -0.1195 -0.0777 -0.0623 0.0797 0.1359 1.4457 1.4536 2.1467 2.1569 2.3754 2.4317 2.9207 2.9362 2.9924 3.0079 4.1019 4.1116 4.1281 4.1518 4.6514 4.7080 5.5283 5.6102 6.1458 6.1493 8.0001 8.0069 8.5754 8.6287 9.2361 9.2474 9.7375 9.7817 9.7962 9.8051 k = 0.0000 0.0000 0.3395 ( 5918 PWs) bands (ev): -6.5281 -6.5277 -4.6754 -4.6743 -4.5215 -4.5213 -4.3236 -4.3230 -1.8623 -1.8622 -0.7176 -0.6953 -0.6119 -0.5980 -0.5480 -0.5465 -0.4670 -0.4526 -0.3628 -0.3595 -0.2927 -0.2718 -0.2471 -0.2072 -0.2045 -0.1839 -0.1370 -0.1204 -0.0746 -0.0653 0.0758 0.1289 1.4186 1.4313 2.1250 2.1276 2.4442 2.4969 2.9711 2.9875 3.0344 3.0503 4.0081 4.0320 4.1549 4.2008 4.6656 4.7130 5.4434 5.5243 6.1288 6.1312 8.0369 8.0428 8.6034 8.6567 9.2224 9.2367 9.8207 9.8279 9.8866 9.9458 k = 0.0000 0.0000 0.3607 ( 5922 PWs) bands (ev): -6.4977 -6.4972 -4.7114 -4.7103 -4.5420 -4.5417 -4.3309 -4.3303 -1.8265 -1.8259 -0.7279 -0.7037 -0.6128 -0.5966 -0.5498 -0.5495 -0.4653 -0.4574 -0.3649 -0.3614 -0.2928 -0.2684 -0.2490 -0.2087 -0.2076 -0.1846 -0.1409 -0.1216 -0.0716 -0.0690 0.0699 0.1198 1.3896 1.4071 2.0914 2.1055 2.5187 2.5674 3.0283 3.0390 3.0788 3.0995 3.8931 3.9263 4.2080 4.2533 4.6956 4.7348 5.3602 5.4392 6.1113 6.1125 8.0747 8.0797 8.6267 8.6794 9.2018 9.2186 9.8552 9.8643 10.0048 10.0622 k = 0.0000 0.0000 0.3819 ( 5926 PWs) bands (ev): -6.4657 -6.4652 -4.7477 -4.7466 -4.5624 -4.5620 -4.3393 -4.3386 -1.7900 -1.7887 -0.7383 -0.7123 -0.6136 -0.5952 -0.5524 -0.5514 -0.4638 -0.4623 -0.3668 -0.3635 -0.2928 -0.2652 -0.2505 -0.2128 -0.2080 -0.1855 -0.1450 -0.1229 -0.0733 -0.0688 0.0624 0.1091 1.3586 1.3809 2.0590 2.0832 2.5979 2.6420 3.0776 3.0794 3.1346 3.1647 3.7789 3.8201 4.2619 4.3066 4.7323 4.7633 5.2817 5.3567 6.0932 6.0934 8.1135 8.1175 8.6459 8.6972 9.1761 9.1949 9.8835 9.8923 10.0910 10.1110 k = 0.0000 0.0000 0.4031 ( 5918 PWs) bands (ev): -6.4323 -6.4318 -4.7843 -4.7832 -4.5824 -4.5820 -4.3488 -4.3481 -1.7529 -1.7508 -0.7485 -0.7209 -0.6143 -0.5937 -0.5552 -0.5526 -0.4673 -0.4623 -0.3686 -0.3658 -0.2927 -0.2626 -0.2513 -0.2169 -0.2084 -0.1863 -0.1493 -0.1246 -0.0780 -0.0661 0.0537 0.0972 1.3258 1.3525 2.0299 2.0630 2.6800 2.7186 3.0983 3.1095 3.2102 3.2450 3.6754 3.7232 4.3158 4.3598 4.7694 4.7901 5.2125 5.2800 6.0738 6.0747 8.1532 8.1561 8.6610 8.7104 9.1460 9.1663 9.9022 9.9100 10.0963 10.1420 k = 0.0000 0.0000 0.4243 ( 5920 PWs) bands (ev): -6.3975 -6.3969 -4.8209 -4.8198 -4.6019 -4.6015 -4.3594 -4.3587 -1.7153 -1.7122 -0.7588 -0.7296 -0.6149 -0.5922 -0.5579 -0.5538 -0.4723 -0.4610 -0.3702 -0.3684 -0.2926 -0.2610 -0.2510 -0.2210 -0.2088 -0.1872 -0.1537 -0.1266 -0.0831 -0.0637 0.0439 0.0843 1.2914 1.3219 2.0061 2.0465 2.7618 2.7934 3.0997 3.1171 3.2990 3.3352 3.5947 3.6459 4.3686 4.4121 4.8003 4.8051 5.1608 5.2142 6.0538 6.0559 8.1936 8.1952 8.6722 8.7191 9.1119 9.1330 9.9079 9.9148 10.0874 10.1473 k = 0.0000 0.0000 0.4456 ( 5906 PWs) bands (ev): -6.3613 -6.3608 -4.8576 -4.8565 -4.6207 -4.6203 -4.3711 -4.3704 -1.6773 -1.6732 -0.7691 -0.7384 -0.6153 -0.5907 -0.5605 -0.5547 -0.4774 -0.4597 -0.3715 -0.3713 -0.2923 -0.2608 -0.2494 -0.2250 -0.2091 -0.1881 -0.1580 -0.1289 -0.0884 -0.0617 0.0336 0.0710 1.2559 1.2896 1.9885 2.0349 2.8351 2.8569 3.0827 3.1024 3.3962 3.4319 3.5495 3.5982 4.4195 4.4627 4.7978 4.8162 5.1366 5.1678 6.0336 6.0368 8.2344 8.2346 8.6791 8.7232 9.0739 9.0951 9.8995 9.9050 10.0852 10.1411 k = 0.0000 0.0000 0.4668 ( 5906 PWs) bands (ev): -6.3240 -6.3234 -4.8943 -4.8931 -4.6388 -4.6384 -4.3841 -4.3833 -1.6391 -1.6338 -0.7794 -0.7473 -0.6157 -0.5892 -0.5631 -0.5556 -0.4825 -0.4585 -0.3745 -0.3728 -0.2921 -0.2615 -0.2469 -0.2291 -0.2094 -0.1890 -0.1624 -0.1315 -0.0939 -0.0601 0.0228 0.0574 1.2198 1.2560 1.9778 2.0289 2.8730 2.8809 3.0712 3.0908 3.4998 3.5283 3.5433 3.5884 4.4675 4.5109 4.7662 4.8081 5.1426 5.1500 6.0134 6.0176 8.2736 8.2752 8.6816 8.7224 9.0320 9.0526 9.8788 9.8815 10.0861 10.1378 k = 0.0000 0.0000 0.4880 ( 5902 PWs) bands (ev): -6.2855 -6.2848 -4.9308 -4.9296 -4.6560 -4.6555 -4.3982 -4.3975 -1.6007 -1.5940 -0.7897 -0.7563 -0.6160 -0.5877 -0.5656 -0.5563 -0.4875 -0.4574 -0.3780 -0.3739 -0.2918 -0.2625 -0.2442 -0.2332 -0.2097 -0.1898 -0.1667 -0.1345 -0.0995 -0.0592 0.0119 0.0438 1.1840 1.2222 1.9742 2.0288 2.8346 2.8383 3.1067 3.1206 3.5667 3.5776 3.6094 3.6572 4.5110 4.5560 4.7203 4.7764 5.1611 5.1702 5.9932 5.9986 8.3115 8.3152 8.6791 8.7164 8.9866 9.0055 9.8464 9.8484 10.0868 10.1354 k = 0.0000 0.0000 0.5092 ( 5898 PWs) bands (ev): -6.2459 -6.2452 -4.9672 -4.9659 -4.6721 -4.6716 -4.4135 -4.4127 -1.5622 -1.5540 -0.8002 -0.7654 -0.6163 -0.5862 -0.5681 -0.5570 -0.4923 -0.4564 -0.3820 -0.3749 -0.2915 -0.2636 -0.2415 -0.2374 -0.2098 -0.1906 -0.1708 -0.1376 -0.1050 -0.0591 0.0011 0.0306 1.1493 1.1889 1.9774 2.0346 2.7450 2.7558 3.1696 3.1733 3.6100 3.6111 3.7228 3.7670 4.5465 4.5974 4.6741 4.7321 5.1916 5.2095 5.9734 5.9799 8.3469 8.3534 8.6709 8.7045 8.9384 8.9545 9.8017 9.8097 10.0857 10.1324 k = 0.0000 0.0000 0.5304 ( 5890 PWs) bands (ev): -6.2053 -6.2046 -5.0034 -5.0021 -4.6870 -4.6864 -4.4299 -4.4291 -1.5238 -1.5140 -0.8109 -0.7748 -0.6164 -0.5847 -0.5704 -0.5577 -0.4968 -0.4553 -0.3864 -0.3758 -0.2912 -0.2648 -0.2416 -0.2391 -0.2097 -0.1913 -0.1746 -0.1409 -0.1106 -0.0597 -0.0096 0.0179 1.1166 1.1574 1.9872 2.0462 2.6394 2.6557 3.2253 3.2316 3.6551 3.6701 3.8399 3.8833 4.5616 4.6338 4.6474 4.6868 5.2321 5.2544 5.9542 5.9618 8.3776 8.3878 8.6560 8.6857 8.8890 8.9009 9.7493 9.7638 10.0831 10.1290 k = 0.0000 0.0000 0.5516 ( 5890 PWs) bands (ev): -6.1640 -6.1632 -5.0395 -5.0382 -4.7006 -4.7000 -4.4473 -4.4464 -1.4856 -1.4739 -0.8218 -0.7844 -0.6165 -0.5832 -0.5728 -0.5583 -0.5010 -0.4543 -0.3913 -0.3768 -0.2909 -0.2659 -0.2459 -0.2371 -0.2093 -0.1919 -0.1782 -0.1442 -0.1161 -0.0612 -0.0201 0.0059 1.0867 1.1284 2.0031 2.0632 2.5282 2.5489 3.2673 3.2809 3.7130 3.7398 3.9599 4.0031 4.5454 4.6409 4.6560 4.6719 5.2773 5.3018 5.9358 5.9444 8.3996 8.4147 8.6332 8.6594 8.8418 8.8478 9.6912 9.7119 10.0800 10.1257 k = 0.0000 0.0000 0.5729 ( 5894 PWs) bands (ev): -6.1218 -6.1210 -5.0754 -5.0741 -4.7128 -4.7122 -4.4657 -4.4648 -1.4477 -1.4340 -0.8330 -0.7943 -0.6165 -0.5818 -0.5752 -0.5590 -0.5048 -0.4533 -0.3967 -0.3778 -0.2907 -0.2668 -0.2502 -0.2354 -0.2087 -0.1923 -0.1815 -0.1474 -0.1215 -0.0636 -0.0303 -0.0054 1.0604 1.1031 2.0247 2.0854 2.4157 2.4400 3.2957 3.3123 3.7816 3.8163 4.0816 4.1253 4.5243 4.6139 4.6776 4.6979 5.3243 5.3498 5.9184 5.9280 8.4067 8.4274 8.6013 8.6245 8.8015 8.8028 9.6299 9.6560 10.0773 10.1230 k = 0.0000 0.0000 0.5941 ( 5890 PWs) bands (ev): -6.0790 -6.0782 -5.1113 -5.1099 -4.7235 -4.7229 -4.4848 -4.4839 -1.4102 -1.3944 -0.8445 -0.8046 -0.6164 -0.5803 -0.5776 -0.5596 -0.5081 -0.4521 -0.4026 -0.3790 -0.2906 -0.2676 -0.2544 -0.2342 -0.2078 -0.1926 -0.1845 -0.1504 -0.1268 -0.0669 -0.0402 -0.0159 1.0385 1.0820 2.0516 2.1123 2.3041 2.3312 3.3092 3.3243 3.8570 3.8953 4.2040 4.2488 4.5155 4.6010 4.6986 4.7210 5.3713 5.3973 5.9023 5.9126 8.3911 8.4162 8.5588 8.5803 8.7714 8.7799 9.5682 9.5983 10.0756 10.1214 k = 0.0000 0.0000 0.6153 ( 5896 PWs) bands (ev): -6.0357 -6.0348 -5.1471 -5.1457 -4.7326 -4.7319 -4.5047 -4.5037 -1.3733 -1.3551 -0.8564 -0.8154 -0.6162 -0.5800 -0.5789 -0.5602 -0.5108 -0.4508 -0.4091 -0.3804 -0.2905 -0.2680 -0.2585 -0.2334 -0.2067 -0.1927 -0.1871 -0.1531 -0.1319 -0.0708 -0.0498 -0.0258 1.0215 1.0659 2.0834 2.1415 2.1968 2.2242 3.3077 3.3178 3.9339 3.9722 4.3253 4.3727 4.5247 4.6076 4.7160 4.7401 5.4175 5.4436 5.8876 5.8984 8.3494 8.3750 8.5045 8.5253 8.7648 8.7770 9.5087 9.5413 10.0751 10.1211 k = 0.0000 0.0000 0.6365 ( 5900 PWs) bands (ev): -5.9920 -5.9911 -5.1829 -5.1815 -4.7400 -4.7393 -4.5250 -4.5240 -1.3371 -1.3165 -0.8689 -0.8267 -0.6159 -0.5824 -0.5776 -0.5609 -0.5128 -0.4494 -0.4160 -0.3820 -0.2904 -0.2681 -0.2624 -0.2329 -0.2054 -0.1925 -0.1894 -0.1553 -0.1368 -0.0753 -0.0593 -0.0352 1.0100 1.0554 2.0837 2.1126 2.1269 2.1836 3.2919 3.2949 4.0077 4.0434 4.4427 4.4956 4.5533 4.6358 4.7295 4.7570 5.4621 5.4883 5.8745 5.8854 8.2854 8.3087 8.4381 8.4584 8.7788 8.7912 9.4534 9.4871 10.0760 10.1220 k = 0.0000 0.0000 0.6577 ( 5908 PWs) bands (ev): -5.9481 -5.9470 -5.2188 -5.2174 -4.7456 -4.7448 -4.5456 -4.5446 -1.3018 -1.2787 -0.8819 -0.8387 -0.6155 -0.5849 -0.5763 -0.5615 -0.5142 -0.4477 -0.4233 -0.3841 -0.2904 -0.2677 -0.2660 -0.2328 -0.2041 -0.1922 -0.1914 -0.1572 -0.1413 -0.0800 -0.0686 -0.0441 1.0044 1.0508 1.9808 2.0170 2.1616 2.2229 3.2584 3.2632 4.0755 4.1070 4.5494 4.5957 4.6182 4.6849 4.7418 4.7769 5.5048 5.5309 5.8629 5.8734 8.2065 8.2263 8.3605 8.3804 8.8054 8.8164 9.4036 9.4371 10.0781 10.1240 k = 0.0000 0.0000 0.6789 ( 5900 PWs) bands (ev): -5.9039 -5.9029 -5.2549 -5.2534 -4.7494 -4.7485 -4.5664 -4.5653 -1.2675 -1.2417 -0.8956 -0.8514 -0.6150 -0.5874 -0.5750 -0.5622 -0.5147 -0.4458 -0.4310 -0.3866 -0.2904 -0.2694 -0.2669 -0.2330 -0.2029 -0.1930 -0.1915 -0.1585 -0.1455 -0.0846 -0.0776 -0.0526 1.0050 1.0524 1.8808 1.9190 2.2064 2.2669 3.2109 3.2235 4.1368 4.1634 4.6292 4.6449 4.7303 4.7517 4.7650 4.8146 5.5451 5.5713 5.8528 5.8623 8.1191 8.1357 8.2737 8.2932 8.8387 8.8476 9.3595 9.3919 10.0811 10.1269 k = 0.0000 0.0000 0.7002 ( 5898 PWs) bands (ev): -5.8598 -5.8587 -5.2912 -5.2898 -4.7512 -4.7504 -4.5870 -4.5859 -1.2342 -1.2058 -0.9100 -0.8650 -0.6143 -0.5899 -0.5738 -0.5628 -0.5145 -0.4435 -0.4389 -0.3895 -0.2903 -0.2724 -0.2656 -0.2334 -0.2020 -0.1943 -0.1906 -0.1596 -0.1490 -0.0890 -0.0865 -0.0607 1.0122 1.0605 1.7846 1.8248 2.2551 2.3147 3.1552 3.1749 4.1927 4.2143 4.6652 4.6723 4.8010 4.8317 4.8513 4.8844 5.5830 5.6093 5.8441 5.8519 8.0286 8.0424 8.1802 8.1995 8.8752 8.8818 9.3208 9.3512 10.0848 10.1304 k = 0.0000 0.0000 0.7214 ( 5888 PWs) bands (ev): -5.8158 -5.8146 -5.3280 -5.3265 -4.7511 -4.7502 -4.6073 -4.6062 -1.2022 -1.1712 -0.9252 -0.8797 -0.6135 -0.5923 -0.5727 -0.5634 -0.5134 -0.4469 -0.4410 -0.3929 -0.2901 -0.2750 -0.2638 -0.2342 -0.2013 -0.1952 -0.1894 -0.1608 -0.1515 -0.0951 -0.0930 -0.0684 1.0260 1.0752 1.6928 1.7348 2.3073 2.3660 3.0935 3.1195 4.2445 4.2618 4.6696 4.6734 4.8744 4.9184 4.9536 4.9729 5.6181 5.6448 5.8366 5.8418 7.9394 7.9512 8.0836 8.1027 8.9129 8.9172 9.2865 9.3145 10.0890 10.1343 k = 0.0000 0.0000 0.7426 ( 5888 PWs) bands (ev): -5.7720 -5.7708 -5.3651 -5.3637 -4.7490 -4.7481 -4.6269 -4.6258 -1.1715 -1.1379 -0.9414 -0.8955 -0.6125 -0.5947 -0.5716 -0.5641 -0.5116 -0.4549 -0.4381 -0.3967 -0.2899 -0.2774 -0.2615 -0.2353 -0.2009 -0.1958 -0.1879 -0.1628 -0.1523 -0.1034 -0.0963 -0.0755 1.0465 1.0964 1.6056 1.6494 2.3628 2.4203 3.0277 3.0591 4.2936 4.3071 4.6588 4.6607 4.9560 5.0056 5.0461 5.0621 5.6505 5.6776 5.8300 5.8317 7.8560 7.8664 7.9878 8.0065 8.9508 8.9527 9.2555 9.2807 10.0936 10.1385 k = 0.0000 0.0000 0.7638 ( 5880 PWs) bands (ev): -5.7286 -5.7273 -5.4029 -5.4014 -4.7449 -4.7439 -4.6458 -4.6447 -1.1422 -1.1061 -0.9586 -0.9125 -0.6114 -0.5971 -0.5706 -0.5647 -0.5089 -0.4627 -0.4349 -0.4008 -0.2894 -0.2795 -0.2588 -0.2367 -0.2007 -0.1963 -0.1862 -0.1654 -0.1515 -0.1113 -0.0988 -0.0820 1.0738 1.1242 1.5234 1.5688 2.4214 2.4775 2.9593 2.9953 4.3407 4.3511 4.6393 4.6401 5.0364 5.0883 5.1247 5.1425 5.6799 5.7075 5.8212 5.8241 7.7827 7.7924 7.8969 7.9150 8.9876 8.9880 9.2266 9.2489 10.0984 10.1427 k = 0.0000 0.0000 0.7850 ( 5878 PWs) bands (ev): -5.6856 -5.6843 -5.4412 -5.4397 -4.7388 -4.7378 -4.6636 -4.6625 -1.1143 -1.0760 -0.9769 -0.9310 -0.6101 -0.5993 -0.5697 -0.5653 -0.5055 -0.4704 -0.4313 -0.4052 -0.2888 -0.2813 -0.2558 -0.2385 -0.2005 -0.1968 -0.1842 -0.1683 -0.1493 -0.1187 -0.1004 -0.0877 1.1079 1.1586 1.4465 1.4932 2.4827 2.5373 2.8895 2.9295 4.3861 4.3940 4.6139 4.6140 5.1094 5.1619 5.1858 5.2086 5.7063 5.7344 5.8099 5.8183 7.7238 7.7335 7.8153 7.8325 9.0215 9.0243 9.1989 9.2182 10.1033 10.1421 k = 0.0000 0.0000 0.8062 ( 5862 PWs) bands (ev): -5.6432 -5.6419 -5.4802 -5.4787 -4.7307 -4.7297 -4.6802 -4.6791 -1.0878 -1.0475 -0.9964 -0.9510 -0.6087 -0.6014 -0.5689 -0.5660 -0.5012 -0.4776 -0.4274 -0.4097 -0.2879 -0.2830 -0.2526 -0.2407 -0.2001 -0.1975 -0.1820 -0.1712 -0.1462 -0.1255 -0.1010 -0.0924 1.1486 1.1993 1.3750 1.4230 2.5465 2.5994 2.8192 2.8626 4.4299 4.4357 4.5833 4.5842 5.1703 5.2217 5.2265 5.2561 5.7298 5.7577 5.7976 5.8118 7.6834 7.6938 7.7476 7.7636 9.0541 9.0594 9.1714 9.1878 10.1084 10.1337 k = 0.0000 0.0000 0.8275 ( 5844 PWs) bands (ev): -5.6014 -5.6000 -5.5199 -5.5184 -4.7207 -4.7197 -4.6953 -4.6943 -1.0628 -1.0208 -1.0172 -0.9725 -0.6071 -0.6034 -0.5680 -0.5666 -0.4963 -0.4844 -0.4232 -0.4143 -0.2869 -0.2844 -0.2494 -0.2433 -0.1996 -0.1982 -0.1795 -0.1741 -0.1421 -0.1318 -0.1005 -0.0962 1.1959 1.2462 1.3092 1.3583 2.6124 2.6634 2.7492 2.7955 4.4719 4.4760 4.5490 4.5508 5.2152 5.2450 5.2637 5.2819 5.7503 5.7770 5.7838 5.8035 7.6648 7.6763 7.6979 7.7125 9.0852 9.0932 9.1437 9.1572 10.1138 10.1263 k = 0.0000 0.0000 0.8487 ( 5840 PWs) bands (ev): -5.5603 -5.5603 -5.5589 -5.5589 -4.7089 -4.7089 -4.7078 -4.7078 -1.0393 -1.0393 -0.9958 -0.9958 -0.6053 -0.6053 -0.5673 -0.5673 -0.4906 -0.4906 -0.4188 -0.4188 -0.2858 -0.2858 -0.2462 -0.2462 -0.1989 -0.1989 -0.1769 -0.1769 -0.1373 -0.1373 -0.0988 -0.0988 1.2495 1.2495 1.2993 1.2993 2.6801 2.6801 2.7289 2.7289 4.5117 4.5117 4.5146 4.5146 5.2409 5.2409 5.2844 5.2844 5.7682 5.7682 5.7922 5.7922 7.6697 7.6697 7.6827 7.6827 9.1150 9.1150 9.1257 9.1257 10.1197 10.1197 k = 0.0000 0.0000 0.8487 ( 5840 PWs) bands (ev): -5.5603 -5.5603 -5.5589 -5.5589 -4.7089 -4.7089 -4.7078 -4.7078 -1.0393 -1.0393 -0.9958 -0.9958 -0.6053 -0.6053 -0.5673 -0.5673 -0.4906 -0.4906 -0.4188 -0.4188 -0.2858 -0.2858 -0.2462 -0.2462 -0.1989 -0.1989 -0.1769 -0.1769 -0.1373 -0.1373 -0.0988 -0.0988 1.2495 1.2495 1.2993 1.2993 2.6801 2.6801 2.7289 2.7289 4.5117 4.5117 4.5146 4.5146 5.2409 5.2409 5.2844 5.2844 5.7682 5.7682 5.7922 5.7922 7.6697 7.6697 7.6827 7.6827 9.1150 9.1150 9.1257 9.1257 10.1197 10.1197 k =-0.0121 0.0166 0.8487 ( 5846 PWs) bands (ev): -5.5604 -5.5604 -5.5590 -5.5590 -4.7092 -4.7092 -4.7081 -4.7081 -1.0391 -1.0391 -0.9956 -0.9956 -0.6056 -0.6056 -0.5668 -0.5668 -0.4912 -0.4912 -0.4174 -0.4174 -0.2860 -0.2860 -0.2455 -0.2455 -0.2008 -0.2008 -0.1750 -0.1750 -0.1364 -0.1364 -0.0973 -0.0973 1.2498 1.2498 1.2995 1.2995 2.6806 2.6806 2.7294 2.7294 4.5069 4.5069 4.5116 4.5116 5.2399 5.2399 5.2835 5.2835 5.7634 5.7634 5.7878 5.7878 7.6735 7.6735 7.6867 7.6867 9.1231 9.1231 9.1347 9.1347 10.1177 10.1177 k =-0.0242 0.0331 0.8487 ( 5850 PWs) bands (ev): -5.5608 -5.5608 -5.5594 -5.5594 -4.7099 -4.7099 -4.7089 -4.7089 -1.0384 -1.0384 -0.9951 -0.9951 -0.6063 -0.6063 -0.5656 -0.5656 -0.4926 -0.4926 -0.4133 -0.4133 -0.2865 -0.2865 -0.2433 -0.2433 -0.2050 -0.2050 -0.1712 -0.1712 -0.1331 -0.1331 -0.0926 -0.0926 1.2508 1.2508 1.3003 1.3003 2.6820 2.6820 2.7309 2.7309 4.4936 4.4936 4.5016 4.5016 5.2369 5.2369 5.2808 5.2808 5.7493 5.7493 5.7749 5.7749 7.6848 7.6848 7.6988 7.6988 9.1471 9.1471 9.1611 9.1611 10.1114 10.1114 k =-0.0362 0.0497 0.8487 ( 5862 PWs) bands (ev): -5.5615 -5.5615 -5.5601 -5.5601 -4.7112 -4.7112 -4.7101 -4.7101 -1.0373 -1.0373 -0.9943 -0.9943 -0.6073 -0.6073 -0.5639 -0.5639 -0.4942 -0.4942 -0.4074 -0.4074 -0.2872 -0.2872 -0.2401 -0.2401 -0.2095 -0.2095 -0.1679 -0.1679 -0.1264 -0.1264 -0.0850 -0.0850 1.2524 1.2524 1.3015 1.3015 2.6844 2.6844 2.7333 2.7333 4.4728 4.4728 4.4844 4.4844 5.2318 5.2318 5.2764 5.2764 5.7264 5.7264 5.7540 5.7540 7.7036 7.7036 7.7188 7.7188 9.1861 9.1861 9.2032 9.2032 10.1004 10.1004 k =-0.0483 0.0663 0.8487 ( 5860 PWs) bands (ev): -5.5626 -5.5626 -5.5612 -5.5612 -4.7127 -4.7127 -4.7116 -4.7116 -1.0358 -1.0358 -0.9933 -0.9933 -0.6084 -0.6084 -0.5622 -0.5622 -0.4954 -0.4954 -0.4003 -0.4003 -0.2878 -0.2878 -0.2364 -0.2364 -0.2136 -0.2136 -0.1662 -0.1662 -0.1157 -0.1157 -0.0743 -0.0743 1.2548 1.2548 1.3034 1.3034 2.6878 2.6878 2.7367 2.7367 4.4449 4.4449 4.4602 4.4602 5.2247 5.2247 5.2703 5.2703 5.6959 5.6959 5.7261 5.7261 7.7297 7.7297 7.7462 7.7462 9.2386 9.2386 9.2590 9.2590 10.0837 10.0837 k =-0.0604 0.0829 0.8487 ( 5868 PWs) bands (ev): -5.5640 -5.5640 -5.5626 -5.5626 -4.7145 -4.7145 -4.7134 -4.7134 -1.0340 -1.0340 -0.9921 -0.9921 -0.6095 -0.6095 -0.5609 -0.5609 -0.4955 -0.4955 -0.3929 -0.3929 -0.2881 -0.2881 -0.2333 -0.2333 -0.2162 -0.2162 -0.1658 -0.1658 -0.1013 -0.1013 -0.0605 -0.0605 1.2580 1.2580 1.3058 1.3058 2.6920 2.6920 2.7409 2.7409 4.4106 4.4106 4.4296 4.4296 5.2155 5.2155 5.2626 5.2626 5.6588 5.6588 5.6923 5.6923 7.7626 7.7626 7.7807 7.7807 9.3020 9.3020 9.3255 9.3255 10.0609 10.0609 k =-0.0725 0.0994 0.8487 ( 5876 PWs) bands (ev): -5.5660 -5.5660 -5.5646 -5.5646 -4.7164 -4.7164 -4.7153 -4.7153 -1.0321 -1.0321 -0.9907 -0.9907 -0.6105 -0.6105 -0.5603 -0.5603 -0.4945 -0.4945 -0.3856 -0.3856 -0.2879 -0.2879 -0.2323 -0.2323 -0.2162 -0.2162 -0.1662 -0.1662 -0.0836 -0.0836 -0.0437 -0.0437 1.2620 1.2620 1.3088 1.3088 2.6970 2.6970 2.7460 2.7460 4.3706 4.3706 4.3932 4.3932 5.2042 5.2042 5.2533 5.2533 5.6164 5.6164 5.6538 5.6538 7.8021 7.8021 7.8216 7.8216 9.3727 9.3727 9.3990 9.3990 10.0314 10.0314 k =-0.0846 0.1160 0.8487 ( 5876 PWs) bands (ev): -5.5684 -5.5684 -5.5671 -5.5671 -4.7181 -4.7181 -4.7170 -4.7170 -1.0300 -1.0300 -0.9893 -0.9893 -0.6112 -0.6112 -0.5604 -0.5604 -0.4922 -0.4922 -0.3789 -0.3789 -0.2872 -0.2872 -0.2337 -0.2337 -0.2135 -0.2135 -0.1670 -0.1670 -0.0629 -0.0629 -0.0238 -0.0238 1.2670 1.2670 1.3126 1.3126 2.7029 2.7029 2.7519 2.7519 4.3258 4.3258 4.3520 4.3520 5.1908 5.1908 5.2425 5.2425 5.5701 5.5701 5.6121 5.6121 7.8475 7.8475 7.8684 7.8684 9.4464 9.4464 9.4744 9.4744 9.9961 9.9961 k =-0.0967 0.1326 0.8487 ( 5874 PWs) bands (ev): -5.5716 -5.5716 -5.5702 -5.5702 -4.7195 -4.7195 -4.7184 -4.7184 -1.0278 -1.0278 -0.9879 -0.9879 -0.6118 -0.6118 -0.5612 -0.5612 -0.4890 -0.4890 -0.3730 -0.3730 -0.2859 -0.2859 -0.2361 -0.2361 -0.2096 -0.2096 -0.1679 -0.1679 -0.0394 -0.0394 -0.0010 -0.0010 1.2732 1.2732 1.3173 1.3173 2.7095 2.7095 2.7585 2.7585 4.2770 4.2770 4.3068 4.3068 5.1751 5.1751 5.2303 5.2303 5.5212 5.5212 5.5683 5.5683 7.8981 7.8981 7.9204 7.9204 9.5169 9.5169 9.5450 9.5450 9.9569 9.9569 k =-0.1087 0.1491 0.8487 ( 5878 PWs) bands (ev): -5.5754 -5.5754 -5.5741 -5.5741 -4.7204 -4.7204 -4.7192 -4.7192 -1.0258 -1.0258 -0.9866 -0.9866 -0.6121 -0.6121 -0.5625 -0.5625 -0.4852 -0.4852 -0.3683 -0.3683 -0.2840 -0.2840 -0.2388 -0.2388 -0.2056 -0.2056 -0.1689 -0.1689 -0.0135 -0.0135 0.0244 0.0244 1.2806 1.2806 1.3231 1.3231 2.7167 2.7167 2.7657 2.7657 4.2252 4.2252 4.2584 4.2584 5.1571 5.1571 5.2167 5.2167 5.4709 5.4709 5.5238 5.5238 7.9532 7.9532 7.9768 7.9768 9.5752 9.5752 9.6008 9.6008 9.9186 9.9186 k =-0.1208 0.1657 0.8487 ( 5882 PWs) bands (ev): -5.5801 -5.5801 -5.5788 -5.5788 -4.7205 -4.7205 -4.7193 -4.7193 -1.0238 -1.0238 -0.9854 -0.9854 -0.6123 -0.6123 -0.5640 -0.5640 -0.4811 -0.4811 -0.3646 -0.3646 -0.2817 -0.2817 -0.2414 -0.2414 -0.2018 -0.2018 -0.1698 -0.1698 0.0144 0.0144 0.0520 0.0520 1.2895 1.2895 1.3301 1.3301 2.7245 2.7245 2.7735 2.7735 4.1714 4.1714 4.2079 4.2079 5.1366 5.1366 5.2016 5.2016 5.4202 5.4202 5.4796 5.4796 8.0119 8.0119 8.0367 8.0367 9.6083 9.6083 9.6293 9.6293 9.8895 9.8895 k =-0.1329 0.1823 0.8487 ( 5890 PWs) bands (ev): -5.5857 -5.5857 -5.5844 -5.5844 -4.7197 -4.7197 -4.7185 -4.7185 -1.0220 -1.0220 -0.9843 -0.9843 -0.6122 -0.6122 -0.5656 -0.5656 -0.4769 -0.4769 -0.3618 -0.3618 -0.2790 -0.2790 -0.2440 -0.2440 -0.1983 -0.1983 -0.1705 -0.1705 0.0438 0.0438 0.0812 0.0812 1.3003 1.3003 1.3386 1.3386 2.7328 2.7328 2.7817 2.7817 4.1166 4.1166 4.1561 4.1561 5.1136 5.1136 5.1848 5.1848 5.3704 5.3704 5.4367 5.4367 8.0734 8.0734 8.0992 8.0992 9.6034 9.6034 9.6227 9.6227 9.8769 9.8769 k =-0.1329 0.1823 0.8487 ( 5890 PWs) bands (ev): -5.5857 -5.5857 -5.5844 -5.5844 -4.7197 -4.7197 -4.7185 -4.7185 -1.0220 -1.0220 -0.9843 -0.9843 -0.6122 -0.6122 -0.5656 -0.5656 -0.4769 -0.4769 -0.3618 -0.3618 -0.2790 -0.2790 -0.2440 -0.2440 -0.1983 -0.1983 -0.1705 -0.1705 0.0438 0.0438 0.0812 0.0812 1.3003 1.3003 1.3386 1.3386 2.7328 2.7328 2.7817 2.7817 4.1166 4.1166 4.1561 4.1561 5.1136 5.1136 5.1848 5.1848 5.3704 5.3704 5.4367 5.4367 8.0734 8.0734 8.0992 8.0992 9.6034 9.6034 9.6227 9.6227 9.8769 9.8769 k =-0.1416 0.1943 0.8338 ( 5882 PWs) bands (ev): -5.6116 -5.6103 -5.5693 -5.5680 -4.7326 -4.7314 -4.7034 -4.7023 -1.0330 -1.0104 -0.9949 -0.9721 -0.6126 -0.6117 -0.5690 -0.5645 -0.4772 -0.4708 -0.3616 -0.3593 -0.2778 -0.2758 -0.2470 -0.2442 -0.1966 -0.1959 -0.1722 -0.1695 0.0573 0.0665 0.1040 0.1099 1.2836 1.3196 1.3386 1.3751 2.6964 2.7468 2.7819 2.8288 4.0526 4.0911 4.1045 4.1401 5.0735 5.0870 5.1690 5.1741 5.3188 5.3318 5.4165 5.4333 8.1161 8.1280 8.1416 8.1557 9.5521 9.5711 9.6041 9.6225 9.8652 9.8867 k =-0.1504 0.2063 0.8190 ( 5889 PWs) bands (ev): -5.6368 -5.6355 -5.5553 -5.5540 -4.7453 -4.7441 -4.6847 -4.6836 -1.0442 -1.0116 -0.9941 -0.9612 -0.6129 -0.6110 -0.5721 -0.5632 -0.4777 -0.4653 -0.3618 -0.3572 -0.2768 -0.2725 -0.2498 -0.2441 -0.1953 -0.1939 -0.1734 -0.1685 0.0644 0.0810 0.1362 0.1456 1.2748 1.3080 1.3778 1.4126 2.6618 2.7136 2.8296 2.8741 3.9889 4.0325 4.0843 4.1225 5.0137 5.0314 5.1416 5.1478 5.2785 5.2872 5.4251 5.4454 8.1664 8.1868 8.1917 8.2166 9.4787 9.5007 9.6006 9.6199 9.8529 9.8970 k =-0.1591 0.2182 0.8042 ( 5888 PWs) bands (ev): -5.6610 -5.6598 -5.5437 -5.5424 -4.7577 -4.7565 -4.6638 -4.6627 -1.0555 -1.0227 -0.9847 -0.9517 -0.6132 -0.6104 -0.5749 -0.5616 -0.4783 -0.4604 -0.3625 -0.3554 -0.2759 -0.2692 -0.2523 -0.2439 -0.1946 -0.1922 -0.1738 -0.1675 0.0670 0.0890 0.1755 0.1859 1.2740 1.3040 1.4179 1.4509 2.6293 2.6822 2.8752 2.9169 3.9265 3.9723 4.0649 4.1029 4.9432 4.9615 5.0795 5.0965 5.2627 5.2682 5.4426 5.4631 8.2225 8.2464 8.2491 8.2801 9.3935 9.4173 9.5976 9.6172 9.8318 9.8820 k =-0.1679 0.2302 0.7893 ( 5886 PWs) bands (ev): -5.6843 -5.6831 -5.5342 -5.5330 -4.7697 -4.7686 -4.6409 -4.6398 -1.0668 -1.0348 -0.9755 -0.9435 -0.6135 -0.6097 -0.5775 -0.5599 -0.4790 -0.4560 -0.3634 -0.3539 -0.2753 -0.2661 -0.2545 -0.2433 -0.1945 -0.1909 -0.1734 -0.1665 0.0659 0.0925 0.2190 0.2297 1.2814 1.3079 1.4587 1.4896 2.5989 2.6528 2.9179 2.9562 3.8664 3.9132 4.0441 4.0812 4.8668 4.8848 5.0002 5.0232 5.2610 5.2677 5.4632 5.4830 8.2824 8.3065 8.3100 8.3438 9.3032 9.3274 9.5968 9.6162 9.8010 9.8499 k =-0.1766 0.2422 0.7745 ( 5892 PWs) bands (ev): -5.7066 -5.7054 -5.5269 -5.5257 -4.7814 -4.7803 -4.6163 -4.6152 -1.0782 -1.0471 -0.9671 -0.9365 -0.6139 -0.6091 -0.5797 -0.5580 -0.4799 -0.4523 -0.3645 -0.3528 -0.2750 -0.2633 -0.2561 -0.2425 -0.1950 -0.1899 -0.1725 -0.1655 0.0614 0.0922 0.2657 0.2762 1.2968 1.3194 1.4998 1.5287 2.5707 2.6253 2.9566 2.9909 3.8094 3.8562 4.0218 4.0570 4.7871 4.8048 4.9151 4.9413 5.2653 5.2722 5.4849 5.5040 8.3430 8.3655 8.3713 8.4061 9.2128 9.2360 9.5988 9.6182 9.7622 9.8091 k =-0.1853 0.2542 0.7597 ( 5889 PWs) bands (ev): -5.7278 -5.7266 -5.5213 -5.5202 -4.7927 -4.7916 -4.5904 -4.5893 -1.0895 -1.0595 -0.9597 -0.9305 -0.6142 -0.6085 -0.5815 -0.5558 -0.4810 -0.4491 -0.3656 -0.3520 -0.2750 -0.2613 -0.2568 -0.2414 -0.1957 -0.1891 -0.1710 -0.1644 0.0539 0.0887 0.3146 0.3249 1.3198 1.3385 1.5412 1.5678 2.5447 2.5999 2.9904 3.0199 3.7564 3.8018 3.9976 4.0301 4.7061 4.7238 4.8291 4.8576 5.2711 5.2779 5.5069 5.5253 8.3978 8.4170 8.4347 8.4669 9.1273 9.1483 9.6026 9.6234 9.7195 9.7635 k =-0.1941 0.2662 0.7448 ( 5889 PWs) bands (ev): -5.7479 -5.7467 -5.5174 -5.5163 -4.8035 -4.8024 -4.5636 -4.5625 -1.1008 -1.0718 -0.9530 -0.9254 -0.6146 -0.6081 -0.5829 -0.5535 -0.4821 -0.4465 -0.3667 -0.3515 -0.2755 -0.2608 -0.2560 -0.2400 -0.1966 -0.1886 -0.1692 -0.1631 0.0439 0.0822 0.3651 0.3752 1.3497 1.3645 1.5825 1.6069 2.5211 2.5765 3.0182 3.0420 3.7079 3.7503 3.9710 3.9999 4.6253 4.6435 4.7456 4.7757 5.2769 5.2834 5.5290 5.5468 8.4366 8.4549 8.4995 8.5290 9.0528 9.0701 9.5999 9.6277 9.6836 9.7218 k =-0.2028 0.2782 0.7300 ( 5885 PWs) bands (ev): -5.7668 -5.7657 -5.5148 -5.5138 -4.8137 -4.8127 -4.5363 -4.5352 -1.1120 -1.0841 -0.9471 -0.9212 -0.6149 -0.6078 -0.5841 -0.5510 -0.4834 -0.4445 -0.3678 -0.3513 -0.2766 -0.2609 -0.2544 -0.2384 -0.1976 -0.1882 -0.1674 -0.1615 0.0321 0.0733 0.4167 0.4266 1.3859 1.3969 1.6236 1.6457 2.4999 2.5553 3.0388 3.0568 3.6640 3.7017 3.9415 3.9658 4.5463 4.5654 4.6671 4.6985 5.2821 5.2884 5.5509 5.5682 8.4520 8.4691 8.5649 8.5934 8.9957 9.0088 9.5721 9.6083 9.6799 9.7063 k =-0.2116 0.2902 0.7152 ( 5895 PWs) bands (ev): -5.7845 -5.7833 -5.5133 -5.5124 -4.8234 -4.8224 -4.5089 -4.5078 -1.1231 -1.0963 -0.9418 -0.9176 -0.6153 -0.6075 -0.5850 -0.5483 -0.4847 -0.4429 -0.3688 -0.3515 -0.2781 -0.2611 -0.2528 -0.2364 -0.1984 -0.1880 -0.1659 -0.1595 0.0188 0.0624 0.4687 0.4785 1.4273 1.4349 1.6643 1.6841 2.4811 2.5362 3.0512 3.0642 3.6243 3.6556 3.9082 3.9273 4.4709 4.4914 4.5959 4.6280 5.2864 5.2927 5.5725 5.5895 8.4398 8.4543 8.6292 8.6582 8.9593 8.9719 9.5245 9.5611 9.7055 9.7244 k =-0.2203 0.3022 0.7003 ( 5896 PWs) bands (ev): -5.8009 -5.7998 -5.5128 -5.5119 -4.8325 -4.8315 -4.4819 -4.4808 -1.1339 -1.1082 -0.9371 -0.9147 -0.6156 -0.6073 -0.5856 -0.5454 -0.4861 -0.4418 -0.3696 -0.3519 -0.2800 -0.2611 -0.2514 -0.2340 -0.1992 -0.1878 -0.1647 -0.1570 0.0047 0.0502 0.5205 0.5303 1.4724 1.4782 1.7043 1.7219 2.4647 2.5192 3.0539 3.0663 3.5873 3.6109 3.8699 3.8841 4.4010 4.4230 4.5334 4.5661 5.2897 5.2961 5.5937 5.6106 8.4008 8.4134 8.6904 8.7211 8.9425 8.9592 9.4718 9.5061 9.7450 9.7608 k =-0.2290 0.3141 0.6855 ( 5892 PWs) bands (ev): -5.8160 -5.8149 -5.5129 -5.5120 -4.8410 -4.8399 -4.4555 -4.4545 -1.1443 -1.1198 -0.9328 -0.9124 -0.6160 -0.6071 -0.5862 -0.5424 -0.4876 -0.4410 -0.3704 -0.3527 -0.2822 -0.2611 -0.2503 -0.2313 -0.1998 -0.1878 -0.1638 -0.1540 -0.0096 0.0370 0.5715 0.5812 1.5195 1.5264 1.7433 1.7590 2.4508 2.5042 3.0474 3.0644 3.5505 3.5669 3.8253 3.8369 4.3383 4.3623 4.4808 4.5140 5.2922 5.2987 5.6144 5.6313 8.3425 8.3544 8.7464 8.7800 8.9411 8.9623 9.4194 9.4508 9.7945 9.8089 k =-0.2378 0.3261 0.6707 ( 5894 PWs) bands (ev): -5.8297 -5.8286 -5.5136 -5.5127 -4.8487 -4.8477 -4.4304 -4.4293 -1.1543 -1.1309 -0.9291 -0.9105 -0.6163 -0.6069 -0.5867 -0.5392 -0.4890 -0.4406 -0.3710 -0.3537 -0.2848 -0.2609 -0.2495 -0.2282 -0.2002 -0.1877 -0.1631 -0.1507 -0.0238 0.0234 0.6209 0.6306 1.5679 1.5780 1.7812 1.7952 2.4392 2.4911 3.0348 3.0586 3.5099 3.5238 3.7741 3.7868 4.2842 4.3109 4.4383 4.4721 5.2939 5.3005 5.6346 5.6516 8.2745 8.2859 8.7950 8.8327 8.9496 8.9738 9.3698 9.3978 9.8523 9.8662 k =-0.2465 0.3381 0.6558 ( 5892 PWs) bands (ev): -5.8421 -5.8411 -5.5146 -5.5138 -4.8558 -4.8547 -4.4067 -4.4056 -1.1637 -1.1414 -0.9258 -0.9090 -0.6166 -0.6066 -0.5872 -0.5358 -0.4905 -0.4406 -0.3715 -0.3550 -0.2874 -0.2608 -0.2489 -0.2248 -0.2005 -0.1877 -0.1625 -0.1471 -0.0374 0.0098 0.6681 0.6778 1.6170 1.6309 1.8174 1.8304 2.4301 2.4800 3.0193 3.0498 3.4623 3.4814 3.7180 3.7345 4.2392 4.2692 4.4058 4.4401 5.2949 5.3016 5.6540 5.6713 8.2035 8.2141 8.8337 8.8758 8.9650 8.9904 9.3244 9.3487 9.9165 9.9305 k =-0.2553 0.3501 0.6410 ( 5900 PWs) bands (ev): -5.8531 -5.8521 -5.5158 -5.5150 -4.8621 -4.8610 -4.3849 -4.3838 -1.1725 -1.1511 -0.9228 -0.9080 -0.6168 -0.6062 -0.5878 -0.5324 -0.4920 -0.4408 -0.3719 -0.3565 -0.2901 -0.2607 -0.2486 -0.2212 -0.2007 -0.1877 -0.1621 -0.1434 -0.0503 -0.0036 0.7123 0.7219 1.6656 1.6837 1.8518 1.8643 2.4235 2.4708 3.0030 3.0399 3.4092 3.4369 3.6598 3.6811 4.2027 4.2369 4.3822 4.4173 5.2953 5.3021 5.6724 5.6900 8.1341 8.1437 8.8612 8.9053 8.9875 9.0111 9.2842 9.3047 9.9851 9.9995 k =-0.2640 0.3621 0.6261 ( 5898 PWs) bands (ev): -5.8627 -5.8616 -5.5171 -5.5163 -4.8676 -4.8666 -4.3653 -4.3642 -1.1804 -1.1600 -0.9202 -0.9073 -0.6170 -0.6057 -0.5885 -0.5289 -0.4936 -0.4411 -0.3721 -0.3582 -0.2926 -0.2607 -0.2483 -0.2174 -0.2008 -0.1877 -0.1617 -0.1396 -0.0619 -0.0164 0.7527 0.7622 1.7123 1.7346 1.8837 1.8965 2.4194 2.4632 2.9883 3.0309 3.3523 3.3889 3.6025 3.6291 4.1739 4.2126 4.3663 4.4022 5.2953 5.3022 5.6894 5.7075 8.0693 8.0777 8.8782 8.9208 9.0151 9.0348 9.2498 9.2665 10.0558 10.0708 k =-0.2728 0.3741 0.6113 ( 5901 PWs) bands (ev): -5.8708 -5.8698 -5.5184 -5.5176 -4.8723 -4.8713 -4.3482 -4.3471 -1.1874 -1.1677 -0.9179 -0.9069 -0.6172 -0.6052 -0.5892 -0.5254 -0.4952 -0.4417 -0.3722 -0.3600 -0.2950 -0.2606 -0.2481 -0.2136 -0.2008 -0.1876 -0.1614 -0.1359 -0.0721 -0.0283 0.7886 0.7980 1.7557 1.7820 1.9126 1.9262 2.4178 2.4573 2.9769 3.0246 3.2933 3.3377 3.5490 3.5808 4.1515 4.1948 4.3564 4.3933 5.2950 5.3020 5.7048 5.7234 8.0113 8.0183 8.8870 8.9267 9.0430 9.0590 9.2213 9.2344 10.1262 10.1416 k =-0.2815 0.3861 0.5965 ( 5892 PWs) bands (ev): -5.8775 -5.8765 -5.5195 -5.5188 -4.8762 -4.8751 -4.3339 -4.3327 -1.1932 -1.1743 -0.9158 -0.9067 -0.6174 -0.6047 -0.5899 -0.5219 -0.4969 -0.4422 -0.3722 -0.3618 -0.2970 -0.2606 -0.2480 -0.2100 -0.2008 -0.1874 -0.1612 -0.1325 -0.0805 -0.0391 0.8193 0.8285 1.7940 1.8240 1.9380 1.9525 2.4186 2.4527 2.9706 3.0228 3.2341 3.2847 3.5020 3.5385 4.1344 4.1820 4.3510 4.3889 5.2946 5.3016 5.7182 5.7373 7.9617 7.9673 8.8906 8.9273 9.0676 9.0817 9.1983 9.2086 10.1932 10.2091 k =-0.2902 0.3981 0.5816 ( 5894 PWs) bands (ev): -5.8827 -5.8817 -5.5205 -5.5198 -4.8792 -4.8782 -4.3224 -4.3213 -1.1979 -1.1796 -0.9142 -0.9068 -0.6175 -0.6041 -0.5907 -0.5186 -0.4987 -0.4428 -0.3720 -0.3635 -0.2987 -0.2606 -0.2479 -0.2068 -0.2008 -0.1871 -0.1611 -0.1296 -0.0868 -0.0485 0.8439 0.8529 1.8259 1.8590 1.9590 1.9742 2.4217 2.4491 2.9707 3.0267 3.1774 3.2322 3.4635 3.5037 4.1220 4.1730 4.3485 4.3872 5.2941 5.3011 5.7292 5.7487 7.9218 7.9261 8.8912 8.9252 9.0877 9.1013 9.1801 9.1888 10.2532 10.2697 k =-0.2990 0.4100 0.5668 ( 5898 PWs) bands (ev): -5.8864 -5.8854 -5.5212 -5.5205 -4.8814 -4.8804 -4.3142 -4.3130 -1.2014 -1.1834 -0.9128 -0.9070 -0.6176 -0.6036 -0.5913 -0.5156 -0.5005 -0.4433 -0.3718 -0.3649 -0.3000 -0.2606 -0.2478 -0.2042 -0.2008 -0.1868 -0.1610 -0.1277 -0.0908 -0.0561 0.8620 0.8708 1.8499 1.8854 1.9747 1.9903 2.4262 2.4461 2.9784 3.0367 3.1271 3.1829 3.4350 3.4780 4.1135 4.1670 4.3477 4.3871 5.2937 5.3006 5.7373 5.7572 7.8927 7.8957 8.8904 8.9223 9.1031 9.1172 9.1659 9.1744 10.3020 10.3193 k =-0.3077 0.4220 0.5520 ( 5905 PWs) bands (ev): -5.8886 -5.8877 -5.5216 -5.5210 -4.8827 -4.8817 -4.3092 -4.3080 -1.2035 -1.1858 -0.9118 -0.9073 -0.6176 -0.6033 -0.5917 -0.5133 -0.5021 -0.4436 -0.3715 -0.3659 -0.3007 -0.2606 -0.2478 -0.2025 -0.2010 -0.1866 -0.1609 -0.1268 -0.0926 -0.0612 0.8730 0.8817 1.8648 1.9018 1.9845 2.0001 2.4312 2.4430 2.9932 3.0470 3.0927 3.1398 3.4175 3.4621 4.1085 4.1636 4.3476 4.3874 5.2934 5.3003 5.7423 5.7625 7.8751 7.8769 8.8894 8.9200 9.1138 9.1284 9.1561 9.1646 10.3345 10.3527 k =-0.3165 0.4340 0.5371 ( 5909 PWs) bands (ev): -5.8894 -5.8884 -5.5218 -5.5211 -4.8831 -4.8821 -4.3075 -4.3063 -1.2042 -1.1866 -0.9115 -0.9074 -0.6177 -0.6032 -0.5919 -0.5124 -0.5028 -0.4437 -0.3714 -0.3663 -0.3010 -0.2606 -0.2478 -0.2016 -0.2013 -0.1865 -0.1609 -0.1265 -0.0930 -0.0630 0.8767 0.8854 1.8699 1.9074 1.9878 2.0034 2.4340 2.4411 3.0051 3.0425 3.0931 3.1140 3.4116 3.4567 4.1069 4.1625 4.3476 4.3876 5.2933 5.3002 5.7440 5.7643 7.8692 7.8705 8.8891 8.9192 9.1181 9.1329 9.1525 9.1604 10.3460 10.3647 k =-0.3165 0.4340 0.5371 ( 5909 PWs) bands (ev): -5.8894 -5.8884 -5.5218 -5.5211 -4.8831 -4.8821 -4.3075 -4.3063 -1.2042 -1.1866 -0.9115 -0.9074 -0.6177 -0.6032 -0.5919 -0.5124 -0.5028 -0.4437 -0.3714 -0.3663 -0.3010 -0.2606 -0.2478 -0.2016 -0.2013 -0.1865 -0.1609 -0.1265 -0.0930 -0.0630 0.8767 0.8854 1.8699 1.9074 1.9878 2.0034 2.4340 2.4411 3.0051 3.0425 3.0931 3.1140 3.4116 3.4567 4.1069 4.1625 4.3476 4.3876 5.2933 5.3002 5.7440 5.7643 7.8692 7.8705 8.8891 8.9192 9.1181 9.1329 9.1525 9.1604 10.3460 10.3647 k =-0.3077 0.4220 0.5222 ( 5913 PWs) bands (ev): -5.9079 -5.9069 -5.4875 -5.4868 -4.8938 -4.8928 -4.3052 -4.3041 -1.2232 -1.2076 -0.9034 -0.8995 -0.6192 -0.6051 -0.5921 -0.5092 -0.5087 -0.4416 -0.3720 -0.3663 -0.2994 -0.2608 -0.2504 -0.2026 -0.2021 -0.1868 -0.1587 -0.1242 -0.0895 -0.0653 0.8882 0.8993 1.8557 1.8883 2.0346 2.0483 2.4043 2.4138 2.9704 3.0071 3.0784 3.0939 3.3394 3.3866 4.1288 4.1617 4.3676 4.3877 5.3147 5.3196 5.7611 5.7804 7.9041 7.9073 8.9054 8.9314 9.1106 9.1245 9.2289 9.2362 10.4598 10.4796 k =-0.2989 0.4099 0.5073 ( 5909 PWs) bands (ev): -5.9297 -5.9288 -5.4521 -5.4513 -4.8999 -4.8989 -4.3030 -4.3018 -1.2442 -1.2305 -0.8953 -0.8916 -0.6208 -0.6068 -0.5920 -0.5150 -0.5063 -0.4395 -0.3728 -0.3665 -0.2979 -0.2605 -0.2534 -0.2044 -0.2030 -0.1859 -0.1566 -0.1217 -0.0854 -0.0673 0.8885 0.9020 1.8430 1.8699 2.0966 2.1076 2.3765 2.3883 2.9374 2.9738 3.0593 3.0703 3.2679 3.3172 4.1496 4.1603 4.3986 4.3987 5.3300 5.3327 5.7730 5.7914 7.9393 7.9444 8.9171 8.9383 9.0974 9.1096 9.3032 9.3098 10.5821 10.6031 k =-0.2901 0.3978 0.4924 ( 5923 PWs) bands (ev): -5.9547 -5.9538 -5.4155 -5.4147 -4.9013 -4.9004 -4.3010 -4.2997 -1.2671 -1.2554 -0.8872 -0.8835 -0.6224 -0.6084 -0.5915 -0.5216 -0.5037 -0.4374 -0.3737 -0.3670 -0.2968 -0.2599 -0.2565 -0.2066 -0.2041 -0.1842 -0.1549 -0.1191 -0.0807 -0.0691 0.8790 0.8949 1.8315 1.8524 2.1716 2.1795 2.3515 2.3649 2.9068 2.9434 3.0356 3.0431 3.1975 3.2489 4.1612 4.1691 4.4199 4.4373 5.3386 5.3389 5.7795 5.7970 7.9743 7.9816 8.9262 8.9422 9.0828 9.0926 9.3745 9.3805 10.7091 10.7318 k =-0.2813 0.3858 0.4775 ( 5919 PWs) bands (ev): -5.9826 -5.9817 -5.3778 -5.3770 -4.8985 -4.8976 -4.2989 -4.2977 -1.2919 -1.2821 -0.8790 -0.8754 -0.6239 -0.6097 -0.5907 -0.5280 -0.5014 -0.4354 -0.3745 -0.3678 -0.2960 -0.2595 -0.2589 -0.2091 -0.2053 -0.1816 -0.1535 -0.1162 -0.0758 -0.0707 0.8617 0.8798 1.8209 1.8354 2.2572 2.2587 2.3331 2.3444 2.8787 2.9163 3.0077 3.0130 3.1284 3.1819 4.1654 4.1876 4.4503 4.4815 5.3381 5.3402 5.7806 5.7973 8.0088 8.0183 8.9351 8.9455 9.0697 9.0769 9.4427 9.4482 10.8339 10.8615 k =-0.2725 0.3737 0.4625 ( 5921 PWs) bands (ev): -6.0130 -6.0121 -5.3391 -5.3383 -4.8916 -4.8907 -4.2970 -4.2958 -1.3187 -1.3107 -0.8708 -0.8670 -0.6255 -0.6107 -0.5896 -0.5341 -0.4996 -0.4333 -0.3752 -0.3687 -0.2958 -0.2619 -0.2578 -0.2119 -0.2065 -0.1787 -0.1526 -0.1132 -0.0722 -0.0705 0.8382 0.8583 1.8108 1.8190 2.2961 2.3224 2.3559 2.3691 2.8532 2.8927 2.9763 2.9806 3.0610 3.1167 4.1731 4.2054 4.4882 4.5302 5.3298 5.3345 5.7764 5.7925 8.0425 8.0543 8.9460 8.9507 9.0604 9.0647 9.5071 9.5123 10.9150 10.9435 k =-0.2637 0.3617 0.4476 ( 5925 PWs) bands (ev): -6.0455 -6.0446 -5.2995 -5.2987 -4.8811 -4.8803 -4.2953 -4.2940 -1.3473 -1.3409 -0.8624 -0.8584 -0.6270 -0.6114 -0.5884 -0.5396 -0.4983 -0.4311 -0.3758 -0.3699 -0.2963 -0.2636 -0.2565 -0.2148 -0.2077 -0.1754 -0.1521 -0.1103 -0.0737 -0.0652 0.8102 0.8321 1.8006 1.8027 2.2850 2.3090 2.4557 2.4644 2.8301 2.8727 2.9423 2.9471 2.9961 3.0538 4.1836 4.2225 4.5323 4.5825 5.3140 5.3212 5.7673 5.7833 8.0756 8.0895 8.9599 8.9604 9.0564 9.0580 9.5670 9.5720 10.8810 10.8947 k =-0.2549 0.3496 0.4327 ( 5919 PWs) bands (ev): -6.0796 -6.0788 -5.2591 -5.2582 -4.8674 -4.8666 -4.2936 -4.2923 -1.3776 -1.3727 -0.8538 -0.8496 -0.6284 -0.6118 -0.5872 -0.5442 -0.4974 -0.4290 -0.3762 -0.3712 -0.2973 -0.2645 -0.2552 -0.2178 -0.2089 -0.1719 -0.1519 -0.1075 -0.0751 -0.0599 0.7788 0.8023 1.7865 1.7900 2.2738 2.2966 2.5621 2.5688 2.8090 2.8566 2.9068 2.9120 2.9359 2.9940 4.1959 4.2385 4.5814 4.6381 5.2907 5.3005 5.7541 5.7704 8.1081 8.1238 8.9744 8.9796 9.0579 9.0589 9.6212 9.6262 10.8017 10.8140 k =-0.2461 0.3376 0.4178 ( 5915 PWs) bands (ev): -6.1150 -6.1142 -5.2179 -5.2170 -4.8508 -4.8500 -4.2921 -4.2908 -1.4095 -1.4060 -0.8451 -0.8406 -0.6297 -0.6120 -0.5863 -0.5477 -0.4969 -0.4268 -0.3764 -0.3725 -0.2988 -0.2648 -0.2538 -0.2208 -0.2099 -0.1683 -0.1519 -0.1050 -0.0765 -0.0546 0.7450 0.7701 1.7702 1.7786 2.2659 2.2865 2.6697 2.6732 2.7915 2.8448 2.8673 2.8706 2.8927 2.9396 4.2088 4.2530 4.6346 4.6967 5.2600 5.2724 5.7377 5.7550 8.1403 8.1574 8.9952 9.0038 9.0655 9.0684 9.6683 9.6732 10.6988 10.7118 k =-0.2373 0.3255 0.4029 ( 5917 PWs) bands (ev): -6.1513 -6.1506 -5.1760 -5.1751 -4.8318 -4.8311 -4.2907 -4.2894 -1.4429 -1.4406 -0.8362 -0.8312 -0.6309 -0.6118 -0.5857 -0.5498 -0.4969 -0.4247 -0.3764 -0.3740 -0.3003 -0.2647 -0.2525 -0.2239 -0.2108 -0.1647 -0.1522 -0.1028 -0.0779 -0.0496 0.7096 0.7361 1.7539 1.7663 2.2616 2.2785 2.7332 2.7597 2.7913 2.8352 2.8429 2.8431 2.8668 2.9025 4.2213 4.2651 4.6914 4.7579 5.2224 5.2373 5.7192 5.7384 8.1727 8.1909 9.0224 9.0326 9.0817 9.0851 9.7061 9.7110 10.5825 10.5964 k =-0.2285 0.3135 0.3879 ( 5917 PWs) bands (ev): -6.1882 -6.1875 -5.1336 -5.1326 -4.8107 -4.8100 -4.2895 -4.2881 -1.4776 -1.4762 -0.8270 -0.8215 -0.6319 -0.6115 -0.5855 -0.5504 -0.4971 -0.4227 -0.3763 -0.3754 -0.3017 -0.2643 -0.2513 -0.2268 -0.2116 -0.1612 -0.1527 -0.1010 -0.0795 -0.0449 0.6731 0.7011 1.7377 1.7531 2.2605 2.2719 2.7117 2.7571 2.7662 2.8144 2.8343 2.8473 2.9383 2.9522 4.2320 4.2738 4.7510 4.8216 5.1783 5.1957 5.7002 5.7222 8.2059 8.2246 9.0559 9.0646 9.1073 9.1088 9.7314 9.7363 10.4604 10.4752 k =-0.2198 0.3014 0.3730 ( 5897 PWs) bands (ev): -6.2253 -6.2246 -5.0907 -5.0897 -4.7879 -4.7873 -4.2883 -4.2870 -1.5134 -1.5129 -0.8176 -0.8114 -0.6327 -0.6108 -0.5858 -0.5495 -0.4976 -0.4208 -0.3768 -0.3760 -0.3028 -0.2639 -0.2504 -0.2292 -0.2122 -0.1577 -0.1532 -0.0995 -0.0811 -0.0405 0.6361 0.6654 1.7216 1.7391 2.2616 2.2657 2.6682 2.7236 2.7258 2.7902 2.8256 2.8364 3.0570 3.0634 4.2397 4.2781 4.8131 4.8876 5.1286 5.1483 5.6821 5.7080 8.2402 8.2590 9.0949 9.0991 9.1394 9.1422 9.7396 9.7449 10.3403 10.3556 k =-0.2110 0.2893 0.3581 ( 5905 PWs) bands (ev): -6.2623 -6.2616 -5.0474 -5.0464 -4.7637 -4.7631 -4.2874 -4.2860 -1.5503 -1.5502 -0.8080 -0.8010 -0.6335 -0.6100 -0.5864 -0.5474 -0.4984 -0.4193 -0.3781 -0.3756 -0.3033 -0.2635 -0.2502 -0.2311 -0.2128 -0.1544 -0.1540 -0.0984 -0.0828 -0.0366 0.5988 0.6295 1.7060 1.7246 2.2592 2.2639 2.6188 2.6789 2.6965 2.7653 2.8247 2.8314 3.1808 3.1855 4.2434 4.2770 4.8771 4.9556 5.0741 5.0962 5.6665 5.6975 8.2760 8.2947 9.1361 9.1384 9.1762 9.1847 9.7242 9.7301 10.2307 10.2459 k =-0.2022 0.2773 0.3432 ( 5897 PWs) bands (ev): -6.2990 -6.2984 -5.0039 -5.0029 -4.7385 -4.7378 -4.2866 -4.2852 -1.5884 -1.5877 -0.7982 -0.7903 -0.6340 -0.6089 -0.5869 -0.5443 -0.4993 -0.4181 -0.3792 -0.3750 -0.3034 -0.2633 -0.2508 -0.2318 -0.2131 -0.1548 -0.1512 -0.0977 -0.0847 -0.0333 0.5614 0.5936 1.6909 1.7100 2.2512 2.2660 2.5691 2.6314 2.6741 2.7453 2.8276 2.8313 3.3070 3.3112 4.2422 4.2700 4.9419 5.0150 5.0264 5.0412 5.6550 5.6920 8.3134 8.3318 9.1764 9.1849 9.2186 9.2318 9.6781 9.6851 10.1403 10.1546 k =-0.1934 0.2652 0.3282 ( 5895 PWs) bands (ev): -6.3351 -6.3346 -4.9602 -4.9592 -4.7123 -4.7118 -4.2859 -4.2845 -1.6268 -1.6257 -0.7881 -0.7792 -0.6343 -0.6077 -0.5871 -0.5404 -0.5003 -0.4173 -0.3800 -0.3741 -0.3028 -0.2633 -0.2525 -0.2314 -0.2132 -0.1558 -0.1481 -0.0972 -0.0867 -0.0305 0.5242 0.5579 1.6766 1.6954 2.2410 2.2664 2.5209 2.5852 2.6570 2.7310 2.8332 2.8350 3.4344 3.4384 4.2355 4.2565 4.9550 4.9727 5.0191 5.0974 5.6487 5.6928 8.3525 8.3703 9.2199 9.2330 9.2654 9.2807 9.5997 9.6077 10.0729 10.0855 k =-0.1846 0.2532 0.3133 ( 5899 PWs) bands (ev): -6.3706 -6.3701 -4.9166 -4.9155 -4.6857 -4.6851 -4.2853 -4.2840 -1.6656 -1.6640 -0.7777 -0.7677 -0.6346 -0.6065 -0.5870 -0.5361 -0.5013 -0.4170 -0.3806 -0.3731 -0.3016 -0.2636 -0.2551 -0.2300 -0.2131 -0.1568 -0.1452 -0.0970 -0.0888 -0.0284 0.4874 0.5226 1.6633 1.6812 2.2283 2.2638 2.4749 2.5409 2.6460 2.7225 2.8412 2.8419 3.5619 3.5660 4.2232 4.2368 4.8934 4.9173 5.0833 5.1705 5.6486 5.7007 8.3929 8.4100 9.2653 9.2800 9.3155 9.3275 9.4979 9.5048 10.0236 10.0346 k =-0.1758 0.2411 0.2984 ( 5895 PWs) bands (ev): -6.4051 -6.4046 -4.8731 -4.8720 -4.6587 -4.6581 -4.2849 -4.2836 -1.7043 -1.7025 -0.7671 -0.7559 -0.6346 -0.6051 -0.5864 -0.5315 -0.5022 -0.4170 -0.3808 -0.3717 -0.2998 -0.2640 -0.2581 -0.2278 -0.2129 -0.1580 -0.1424 -0.0970 -0.0910 -0.0268 0.4510 0.4879 1.6512 1.6676 2.2131 2.2575 2.4315 2.4988 2.6415 2.7191 2.8511 2.8512 3.6883 3.6923 4.2055 4.2114 4.8327 4.8582 5.1528 5.2451 5.6552 5.7158 8.4339 8.4503 9.3057 9.3202 9.3503 9.3677 9.3896 9.4069 9.9842 9.9952 k =-0.1670 0.2291 0.2835 ( 5895 PWs) bands (ev): -6.4387 -6.4382 -4.8298 -4.8288 -4.6316 -4.6310 -4.2846 -4.2833 -1.7430 -1.7409 -0.7563 -0.7439 -0.6346 -0.6038 -0.5852 -0.5266 -0.5031 -0.4175 -0.3807 -0.3700 -0.2975 -0.2646 -0.2615 -0.2250 -0.2125 -0.1592 -0.1397 -0.0972 -0.0933 -0.0260 0.4152 0.4537 1.6404 1.6550 2.1956 2.2475 2.3908 2.4592 2.6428 2.7200 2.8625 2.8625 3.8117 3.8154 4.1812 4.1834 4.7756 4.8019 5.2235 5.3207 5.6685 5.7382 8.4742 8.4899 9.2353 9.2561 9.3603 9.3616 9.4218 9.4231 9.9104 9.9636 k =-0.1582 0.2170 0.2686 ( 5901 PWs) bands (ev): -6.4710 -6.4706 -4.7870 -4.7859 -4.6046 -4.6040 -4.2845 -4.2832 -1.7814 -1.7792 -0.7454 -0.7316 -0.6345 -0.6025 -0.5835 -0.5217 -0.5038 -0.4182 -0.3804 -0.3680 -0.2948 -0.2652 -0.2650 -0.2218 -0.2120 -0.1605 -0.1371 -0.0976 -0.0957 -0.0259 0.3799 0.4203 1.6310 1.6433 2.1766 2.2344 2.3531 2.4222 2.6487 2.7238 2.8749 2.8752 3.9291 3.9315 4.1476 4.1584 4.7262 4.7526 5.2948 5.3972 5.6884 5.7674 8.5115 8.5266 9.1131 9.1320 9.3774 9.3869 9.4542 9.4750 9.7653 9.8160 k =-0.1494 0.2050 0.2536 ( 5905 PWs) bands (ev): -6.5021 -6.5017 -4.7448 -4.7437 -4.5779 -4.5773 -4.2844 -4.2831 -1.8192 -1.8169 -0.7343 -0.7192 -0.6342 -0.6013 -0.5812 -0.5169 -0.5044 -0.4192 -0.3799 -0.3655 -0.2917 -0.2685 -0.2657 -0.2182 -0.2115 -0.1618 -0.1346 -0.0982 -0.0980 -0.0264 0.3453 0.3876 1.6231 1.6329 2.1567 2.2192 2.3183 2.3879 2.6574 2.7290 2.8876 2.8885 4.0323 4.0346 4.1125 4.1342 4.6912 4.7166 5.3663 5.4744 5.7142 5.8027 8.5414 8.5557 8.9943 9.0128 9.3719 9.3857 9.4789 9.5235 9.6296 9.6656 k =-0.1406 0.1929 0.2387 ( 5913 PWs) bands (ev): -6.5318 -6.5315 -4.7034 -4.7023 -4.5517 -4.5511 -4.2844 -4.2832 -1.8565 -1.8541 -0.7231 -0.7067 -0.6339 -0.6002 -0.5783 -0.5122 -0.5047 -0.4202 -0.3791 -0.3625 -0.2888 -0.2721 -0.2658 -0.2142 -0.2109 -0.1633 -0.1322 -0.1007 -0.0987 -0.0275 0.3115 0.3558 1.6167 1.6236 2.1368 2.2030 2.2866 2.3564 2.6670 2.7343 2.9000 2.9018 4.0747 4.0815 4.1220 4.1388 4.6813 4.7037 5.4378 5.5520 5.7452 5.8434 8.5538 8.5675 8.8908 8.9091 9.3424 9.3550 9.4266 9.4955 9.5769 9.5920 k =-0.1319 0.1808 0.2238 ( 5909 PWs) bands (ev): -6.5601 -6.5597 -4.6629 -4.6618 -4.5262 -4.5256 -4.2846 -4.2833 -1.8928 -1.8905 -0.7120 -0.6943 -0.6334 -0.5993 -0.5748 -0.5077 -0.5048 -0.4213 -0.3782 -0.3588 -0.2864 -0.2756 -0.2647 -0.2103 -0.2097 -0.1647 -0.1298 -0.1032 -0.0993 -0.0294 0.2783 0.3247 1.6117 1.6157 2.1175 2.1867 2.2581 2.3277 2.6756 2.7380 2.9116 2.9146 4.0413 4.0640 4.1752 4.1775 4.7087 4.7256 5.5088 5.6296 5.7804 5.8885 8.5309 8.5446 8.8189 8.8363 9.2945 9.2974 9.3053 9.3575 9.6020 9.6272 k =-0.1231 0.1688 0.2089 ( 5909 PWs) bands (ev): -6.5868 -6.5865 -4.6235 -4.6225 -4.5014 -4.5009 -4.2848 -4.2835 -1.9282 -1.9258 -0.7009 -0.6822 -0.6328 -0.5985 -0.5708 -0.5046 -0.5037 -0.4222 -0.3770 -0.3546 -0.2852 -0.2790 -0.2622 -0.2097 -0.2049 -0.1662 -0.1274 -0.1056 -0.1000 -0.0318 0.2460 0.2946 1.6081 1.6090 2.0995 2.1712 2.2328 2.3018 2.6815 2.7389 2.9215 2.9259 4.0103 4.0404 4.1893 4.1939 4.7759 4.7868 5.5792 5.7069 5.8192 5.9371 8.4640 8.4780 8.7823 8.7980 9.1633 9.2155 9.2419 9.2471 9.6321 9.6599 k =-0.1143 0.1567 0.1940 ( 5907 PWs) bands (ev): -6.6119 -6.6116 -4.5855 -4.5844 -4.4777 -4.4772 -4.2850 -4.2838 -1.9623 -1.9600 -0.6900 -0.6704 -0.6321 -0.5979 -0.5663 -0.5042 -0.5000 -0.4230 -0.3756 -0.3497 -0.2852 -0.2824 -0.2581 -0.2091 -0.1998 -0.1677 -0.1252 -0.1079 -0.1008 -0.0349 0.2146 0.2653 1.6035 1.6057 2.0835 2.1571 2.2107 2.2787 2.6833 2.7360 2.9292 2.9353 3.9837 4.0192 4.1778 4.1866 4.8728 4.8788 5.6485 5.7835 5.8604 5.9883 8.3705 8.3848 8.7551 8.7685 9.0318 9.0817 9.1934 9.1969 9.6551 9.6818 k =-0.1055 0.1447 0.1790 ( 5913 PWs) bands (ev): -6.6354 -6.6351 -4.5490 -4.5480 -4.4551 -4.4546 -4.2854 -4.2842 -1.9950 -1.9928 -0.6794 -0.6593 -0.6311 -0.5975 -0.5612 -0.5036 -0.4969 -0.4237 -0.3737 -0.3441 -0.2860 -0.2855 -0.2529 -0.2084 -0.1943 -0.1693 -0.1231 -0.1100 -0.1015 -0.0387 0.1840 0.2368 1.5992 1.6044 2.0698 2.1450 2.1920 2.2583 2.6799 2.7282 2.9341 2.9421 3.9626 4.0023 4.1548 4.1656 4.9870 4.9896 5.7165 5.8590 5.9034 6.0412 8.2684 8.2826 8.7102 8.7207 8.9057 8.9527 9.1671 9.1677 9.6673 9.6904 k =-0.0967 0.1326 0.1641 ( 5917 PWs) bands (ev): -6.6571 -6.6569 -4.5142 -4.5133 -4.4338 -4.4332 -4.2858 -4.2846 -2.0262 -2.0240 -0.6693 -0.6490 -0.6300 -0.5971 -0.5558 -0.5030 -0.4941 -0.4242 -0.3712 -0.3380 -0.2886 -0.2872 -0.2472 -0.2075 -0.1887 -0.1705 -0.1214 -0.1116 -0.1023 -0.0430 0.1544 0.2093 1.5959 1.6039 2.0591 2.1353 2.1764 2.2406 2.6706 2.7153 2.9358 2.9457 3.9477 3.9902 4.1284 4.1400 5.1104 5.1106 5.7829 5.9320 5.9480 6.0947 8.1662 8.1800 8.6378 8.6456 8.7861 8.8302 9.1638 9.1658 9.6674 9.6850 k =-0.0879 0.1206 0.1492 ( 5917 PWs) bands (ev): -6.6771 -6.6769 -4.4814 -4.4805 -4.4138 -4.4132 -4.2862 -4.2850 -2.0555 -2.0535 -0.6598 -0.6399 -0.6286 -0.5967 -0.5499 -0.5023 -0.4918 -0.4246 -0.3679 -0.3313 -0.2913 -0.2885 -0.2416 -0.2060 -0.1836 -0.1709 -0.1204 -0.1124 -0.1031 -0.0479 0.1258 0.1827 1.5936 1.6040 2.0518 2.1282 2.1641 2.2254 2.6553 2.6971 2.9341 2.9460 3.9389 3.9832 4.1032 4.1146 5.2366 5.2382 5.8473 5.9886 6.0070 6.1481 8.0677 8.0808 8.5425 8.5484 8.6738 8.7150 9.1791 9.1826 9.6557 9.6670 k =-0.0791 0.1085 0.1343 ( 5919 PWs) bands (ev): -6.6953 -6.6951 -4.4509 -4.4500 -4.3954 -4.3947 -4.2867 -4.2855 -2.0828 -2.0810 -0.6511 -0.6321 -0.6267 -0.5962 -0.5438 -0.5018 -0.4898 -0.4251 -0.3636 -0.3244 -0.2938 -0.2897 -0.2367 -0.2037 -0.1810 -0.1684 -0.1205 -0.1119 -0.1039 -0.0534 0.0986 0.1570 1.5921 1.6043 2.0481 2.1238 2.1550 2.2126 2.6343 2.6740 2.9291 2.9429 3.9359 3.9806 4.0815 4.0924 5.3643 5.3676 5.9096 6.0323 6.0756 6.2002 7.9748 7.9872 8.4328 8.4373 8.5695 8.6076 9.2052 9.2094 9.6341 9.6389 k =-0.0703 0.0964 0.1194 ( 5915 PWs) bands (ev): -6.7117 -6.7115 -4.4227 -4.4219 -4.3785 -4.3779 -4.2872 -4.2861 -2.1080 -2.1063 -0.6436 -0.6259 -0.6241 -0.5954 -0.5374 -0.5015 -0.4880 -0.4260 -0.3581 -0.3176 -0.2958 -0.2904 -0.2332 -0.1999 -0.1817 -0.1624 -0.1212 -0.1105 -0.1048 -0.0595 0.0727 0.1323 1.5913 1.6048 2.0484 2.1221 2.1490 2.2018 2.6084 2.6468 2.9213 2.9364 3.9377 3.9814 4.0646 4.0746 5.4911 5.4961 5.9697 6.0743 6.1414 6.2501 7.8889 7.9003 8.3150 8.3187 8.4740 8.5088 9.2361 9.2403 9.6042 9.6051 k =-0.0615 0.0844 0.1044 ( 5927 PWs) bands (ev): -6.7262 -6.7260 -4.3972 -4.3965 -4.3633 -4.3626 -4.2878 -4.2867 -2.1307 -2.1292 -0.6376 -0.6215 -0.6206 -0.5943 -0.5312 -0.5014 -0.4861 -0.4274 -0.3514 -0.3115 -0.2967 -0.2906 -0.2313 -0.1946 -0.1839 -0.1547 -0.1220 -0.1087 -0.1057 -0.0662 0.0486 0.1086 1.5911 1.6051 2.0527 2.1228 2.1462 2.1929 2.5787 2.6162 2.9113 2.9272 3.9430 3.9844 4.0529 4.0617 5.6144 5.6214 6.0277 6.1146 6.2034 6.2968 7.8109 7.8213 8.1937 8.1969 8.3880 8.4192 9.2680 9.2718 9.5663 9.5716 k =-0.0527 0.0723 0.0895 ( 5907 PWs) bands (ev): -6.7388 -6.7387 -4.3745 -4.3739 -4.3499 -4.3491 -4.2884 -4.2873 -2.1509 -2.1495 -0.6332 -0.6188 -0.6161 -0.5927 -0.5251 -0.5015 -0.4839 -0.4295 -0.3440 -0.3081 -0.2948 -0.2897 -0.2308 -0.1879 -0.1870 -0.1463 -0.1227 -0.1068 -0.1067 -0.0735 0.0268 0.0859 1.5913 1.6051 2.0611 2.1255 2.1465 2.1854 2.5467 2.5836 2.9000 2.9160 3.9506 3.9880 4.0466 4.0535 5.7313 5.7407 6.0842 6.1535 6.2608 6.3393 7.7417 7.7509 8.0727 8.0755 8.3121 8.3395 9.2986 9.3013 9.5284 9.5364 k =-0.0440 0.0603 0.0746 ( 5905 PWs) bands (ev): -6.7495 -6.7494 -4.3549 -4.3544 -4.3382 -4.3374 -4.2890 -4.2880 -2.1683 -2.1671 -0.6301 -0.6174 -0.6111 -0.5912 -0.5197 -0.5019 -0.4812 -0.4323 -0.3364 -0.3078 -0.2899 -0.2875 -0.2313 -0.1910 -0.1803 -0.1377 -0.1230 -0.1078 -0.1047 -0.0814 0.0077 0.0643 1.5919 1.6047 2.0731 2.1292 2.1497 2.1792 2.5142 2.5501 2.8883 2.9036 3.9591 3.9909 4.0450 4.0496 5.8378 5.8502 6.1401 6.1916 6.3128 6.3767 7.6820 7.6899 7.9553 7.9578 8.2469 8.2703 9.3261 9.3274 9.4932 9.5019 k =-0.0352 0.0482 0.0597 ( 5909 PWs) bands (ev): -6.7583 -6.7582 -4.3386 -4.3383 -4.3283 -4.3276 -4.2898 -4.2888 -2.1827 -2.1818 -0.6277 -0.6171 -0.6061 -0.5899 -0.5152 -0.5024 -0.4777 -0.4359 -0.3296 -0.3089 -0.2838 -0.2833 -0.2324 -0.1959 -0.1723 -0.1295 -0.1229 -0.1093 -0.1027 -0.0893 -0.0078 0.0440 1.5928 1.6039 2.0882 2.1334 2.1551 2.1737 2.4831 2.5171 2.8774 2.8911 3.9675 3.9926 4.0469 4.0491 5.9289 5.9445 6.1964 6.2302 6.3587 6.4082 7.6324 7.6388 7.8456 7.8477 8.1932 8.2122 9.3483 9.3493 9.4635 9.4705 k =-0.0264 0.0362 0.0448 ( 5909 PWs) bands (ev): -6.7651 -6.7651 -4.3258 -4.3256 -4.3202 -4.3196 -4.2906 -4.2897 -2.1941 -2.1934 -0.6257 -0.6175 -0.6015 -0.5892 -0.5116 -0.5031 -0.4732 -0.4402 -0.3242 -0.3104 -0.2778 -0.2775 -0.2333 -0.2018 -0.1639 -0.1233 -0.1223 -0.1120 -0.1008 -0.0956 -0.0188 0.0251 1.5939 1.6027 2.1056 2.1381 2.1609 2.1687 2.4560 2.4862 2.8683 2.8795 3.9750 3.9932 4.0504 4.0507 6.0003 6.0175 6.2523 6.2703 6.3978 6.4331 7.5934 7.5983 7.7484 7.7501 8.1514 8.1659 9.3628 9.3667 9.4415 9.4449 k =-0.0176 0.0241 0.0298 ( 5909 PWs) bands (ev): -6.7700 -6.7700 -4.3166 -4.3165 -4.3139 -4.3135 -4.2915 -4.2907 -2.2023 -2.2018 -0.6239 -0.6183 -0.5975 -0.5892 -0.5091 -0.5039 -0.4680 -0.4452 -0.3203 -0.3120 -0.2725 -0.2712 -0.2332 -0.2089 -0.1553 -0.1221 -0.1213 -0.1158 -0.0989 -0.0978 -0.0245 0.0081 1.5952 1.6014 2.1238 2.1431 2.1639 2.1643 2.4358 2.4593 2.8618 2.8697 3.9812 3.9929 4.0533 4.0538 6.0507 6.0656 6.3022 6.3090 6.4292 6.4510 7.5655 7.5688 7.6704 7.6716 8.1219 8.1317 9.3698 9.3760 9.4282 9.4290 k =-0.0088 0.0121 0.0149 ( 5911 PWs) bands (ev): -6.7729 -6.7729 -4.3115 -4.3112 -4.3095 -4.3095 -4.2921 -4.2916 -2.2072 -2.2070 -0.6223 -0.6195 -0.5942 -0.5901 -0.5072 -0.5048 -0.4623 -0.4506 -0.3175 -0.3136 -0.2682 -0.2668 -0.2305 -0.2169 -0.1465 -0.1287 -0.1200 -0.1173 -0.0975 -0.0971 -0.0240 -0.0065 1.5967 1.5998 2.1407 2.1481 2.1592 2.1630 2.4254 2.4385 2.8586 2.8627 3.9860 3.9917 4.0555 4.0560 6.0815 6.0900 6.3371 6.3384 6.4514 6.4613 7.5490 7.5506 7.6190 7.6197 8.1051 8.1100 9.3718 9.3766 9.4223 9.4241 k = 0.0000 0.0000 0.0000 ( 5905 PWs) bands (ev): -6.7739 -6.7739 -4.3097 -4.3097 -4.3079 -4.3079 -4.2922 -4.2922 -2.2088 -2.2088 -0.6208 -0.6208 -0.5917 -0.5917 -0.5058 -0.5058 -0.4564 -0.4564 -0.3154 -0.3154 -0.2659 -0.2659 -0.2246 -0.2246 -0.1375 -0.1375 -0.1185 -0.1185 -0.0967 -0.0967 -0.0176 -0.0176 1.5983 1.5983 2.1515 2.1515 2.1569 2.1569 2.4265 2.4265 2.8588 2.8588 3.9895 3.9895 4.0566 4.0566 6.0946 6.0946 6.3494 6.3494 6.4621 6.4621 7.5440 7.5440 7.6012 7.6012 8.1011 8.1011 9.3736 9.3736 9.4223 9.4223 k = 0.0000 0.0000 0.0000 ( 5905 PWs) bands (ev): -6.7739 -6.7739 -4.3097 -4.3097 -4.3079 -4.3079 -4.2922 -4.2922 -2.2088 -2.2088 -0.6208 -0.6208 -0.5917 -0.5917 -0.5058 -0.5058 -0.4564 -0.4564 -0.3154 -0.3154 -0.2659 -0.2659 -0.2246 -0.2246 -0.1375 -0.1375 -0.1185 -0.1185 -0.0967 -0.0967 -0.0176 -0.0176 1.5983 1.5983 2.1515 2.1515 2.1569 2.1569 2.4265 2.4265 2.8588 2.8588 3.9895 3.9895 4.0566 4.0566 6.0946 6.0946 6.3494 6.3494 6.4621 6.4621 7.5440 7.5440 7.6012 7.6012 8.1011 8.1011 9.3736 9.3736 9.4223 9.4223 k = 0.0172 0.0126 0.0000 ( 5913 PWs) bands (ev): -6.7728 -6.7728 -4.3098 -4.3098 -4.3080 -4.3080 -4.2965 -4.2965 -2.2048 -2.2048 -0.6207 -0.6207 -0.5917 -0.5917 -0.5064 -0.5064 -0.4563 -0.4563 -0.3152 -0.3152 -0.2677 -0.2677 -0.2241 -0.2241 -0.1385 -0.1385 -0.1183 -0.1183 -0.0970 -0.0970 -0.0167 -0.0167 1.5978 1.5978 2.1529 2.1529 2.1585 2.1585 2.4288 2.4288 2.8623 2.8623 3.9909 3.9909 4.0581 4.0581 6.0886 6.0886 6.3447 6.3447 6.4435 6.4435 7.5450 7.5450 7.6220 7.6220 8.1038 8.1038 9.3764 9.3764 9.4244 9.4244 k = 0.0345 0.0251 0.0000 ( 5914 PWs) bands (ev): -6.7695 -6.7695 -4.3109 -4.3109 -4.3087 -4.3087 -4.3082 -4.3082 -2.1929 -2.1929 -0.6204 -0.6204 -0.5918 -0.5918 -0.5079 -0.5079 -0.4562 -0.4562 -0.3144 -0.3144 -0.2727 -0.2727 -0.2227 -0.2227 -0.1412 -0.1412 -0.1179 -0.1179 -0.0977 -0.0977 -0.0140 -0.0140 1.5963 1.5963 2.1572 2.1572 2.1632 2.1632 2.4358 2.4358 2.8726 2.8726 3.9954 3.9954 4.0625 4.0625 6.0704 6.0704 6.3309 6.3309 6.3921 6.3921 7.5481 7.5481 7.6804 7.6804 8.1117 8.1117 9.3843 9.3843 9.4302 9.4302 k = 0.0517 0.0377 0.0000 ( 5914 PWs) bands (ev): -6.7641 -6.7641 -4.3307 -4.3307 -4.3104 -4.3104 -4.3088 -4.3088 -2.1735 -2.1735 -0.6200 -0.6200 -0.5920 -0.5920 -0.5104 -0.5104 -0.4559 -0.4559 -0.3133 -0.3133 -0.2801 -0.2801 -0.2212 -0.2212 -0.1449 -0.1449 -0.1177 -0.1177 -0.0988 -0.0988 -0.0099 -0.0099 1.5942 1.5942 2.1644 2.1644 2.1709 2.1709 2.4473 2.4473 2.8896 2.8896 4.0028 4.0028 4.0698 4.0698 6.0384 6.0384 6.3081 6.3081 6.3186 6.3186 7.5533 7.5533 7.7676 7.7676 8.1250 8.1250 9.3960 9.3960 9.4384 9.4384 k = 0.0690 0.0503 0.0000 ( 5914 PWs) bands (ev): -6.7564 -6.7564 -4.3595 -4.3595 -4.3111 -4.3111 -4.3094 -4.3094 -2.1473 -2.1473 -0.6194 -0.6194 -0.5922 -0.5922 -0.5138 -0.5138 -0.4557 -0.4557 -0.3118 -0.3118 -0.2891 -0.2891 -0.2200 -0.2200 -0.1491 -0.1491 -0.1178 -0.1178 -0.1004 -0.1004 -0.0048 -0.0048 1.5917 1.5917 2.1744 2.1744 2.1817 2.1817 2.4631 2.4631 2.9128 2.9128 4.0130 4.0130 4.0800 4.0800 5.9900 5.9900 6.2349 6.2349 6.2772 6.2772 7.5606 7.5606 7.8742 7.8742 8.1434 8.1434 9.4089 9.4089 9.4469 9.4469 k = 0.0862 0.0629 0.0000 ( 5922 PWs) bands (ev): -6.7466 -6.7466 -4.3953 -4.3953 -4.3119 -4.3119 -4.3103 -4.3103 -2.1148 -2.1148 -0.6187 -0.6187 -0.5926 -0.5926 -0.5183 -0.5183 -0.4555 -0.4555 -0.3111 -0.3111 -0.2980 -0.2980 -0.2194 -0.2194 -0.1533 -0.1533 -0.1183 -0.1183 -0.1023 -0.1023 0.0009 0.0009 1.5893 1.5893 2.1871 2.1871 2.1953 2.1953 2.4832 2.4832 2.9420 2.9420 4.0260 4.0260 4.0930 4.0930 5.9213 5.9213 6.1526 6.1526 6.2387 6.2387 7.5701 7.5701 7.9930 7.9930 8.1670 8.1670 9.4190 9.4190 9.4523 9.4523 k = 0.1034 0.0754 0.0000 ( 5930 PWs) bands (ev): -6.7345 -6.7345 -4.4373 -4.4373 -4.3129 -4.3129 -4.3113 -4.3113 -2.0771 -2.0771 -0.6181 -0.6181 -0.5932 -0.5932 -0.5237 -0.5237 -0.4554 -0.4554 -0.3159 -0.3159 -0.3016 -0.3016 -0.2195 -0.2195 -0.1571 -0.1571 -0.1191 -0.1191 -0.1046 -0.1046 0.0068 0.0068 1.5874 1.5874 2.2026 2.2026 2.2118 2.2118 2.5070 2.5070 2.9764 2.9764 4.0418 4.0418 4.1086 4.1086 5.8312 5.8312 6.0779 6.0779 6.1936 6.1936 7.5819 7.5819 8.1187 8.1187 8.1956 8.1956 9.4179 9.4179 9.4499 9.4499 k = 0.1207 0.0880 0.0000 ( 5918 PWs) bands (ev): -6.7203 -6.7203 -4.4847 -4.4847 -4.3140 -4.3140 -4.3124 -4.3124 -2.0349 -2.0349 -0.6178 -0.6178 -0.5941 -0.5941 -0.5297 -0.5297 -0.4556 -0.4556 -0.3262 -0.3262 -0.2994 -0.2994 -0.2204 -0.2204 -0.1604 -0.1604 -0.1202 -0.1202 -0.1071 -0.1071 0.0126 0.0126 1.5866 1.5866 2.2207 2.2207 2.2310 2.2310 2.5345 2.5345 3.0156 3.0156 4.0600 4.0600 4.1269 4.1269 5.7241 5.7241 6.0103 6.0103 6.1429 6.1429 7.5961 7.5961 8.2285 8.2285 8.2475 8.2475 9.3784 9.3784 9.4250 9.4250 k = 0.1379 0.1006 0.0000 ( 5922 PWs) bands (ev): -6.7040 -6.7040 -4.5368 -4.5368 -4.3153 -4.3153 -4.3138 -4.3138 -1.9891 -1.9891 -0.6182 -0.6182 -0.5953 -0.5953 -0.5361 -0.5361 -0.4560 -0.4560 -0.3377 -0.3377 -0.2955 -0.2955 -0.2222 -0.2222 -0.1630 -0.1630 -0.1216 -0.1216 -0.1099 -0.1099 0.0181 0.0181 1.5874 1.5874 2.2414 2.2414 2.2527 2.2527 2.5650 2.5650 3.0590 3.0590 4.0807 4.0807 4.1475 4.1475 5.6064 5.6064 5.9465 5.9465 6.0874 6.0874 7.6126 7.6126 8.2668 8.2668 8.3743 8.3743 9.3180 9.3180 9.3962 9.3962 k = 0.1552 0.1131 0.0000 ( 5902 PWs) bands (ev): -6.6855 -6.6855 -4.5928 -4.5928 -4.3167 -4.3167 -4.3152 -4.3152 -1.9405 -1.9405 -0.6201 -0.6201 -0.5966 -0.5966 -0.5424 -0.5424 -0.4568 -0.4568 -0.3490 -0.3490 -0.2906 -0.2906 -0.2245 -0.2245 -0.1648 -0.1648 -0.1232 -0.1232 -0.1127 -0.1127 0.0231 0.0231 1.5903 1.5903 2.2645 2.2645 2.2769 2.2769 2.5983 2.5983 3.1060 3.1060 4.1036 4.1036 4.1703 4.1703 5.4831 5.4831 5.8837 5.8837 6.0281 6.0281 7.6316 7.6316 8.3093 8.3093 8.4942 8.4942 9.2595 9.2595 9.3486 9.3486 k = 0.1724 0.1257 0.0000 ( 5890 PWs) bands (ev): -6.6648 -6.6648 -4.6521 -4.6521 -4.3182 -4.3182 -4.3167 -4.3167 -1.8900 -1.8900 -0.6248 -0.6248 -0.5975 -0.5975 -0.5479 -0.5479 -0.4580 -0.4580 -0.3598 -0.3598 -0.2852 -0.2852 -0.2274 -0.2274 -0.1661 -0.1661 -0.1251 -0.1251 -0.1156 -0.1156 0.0276 0.0276 1.5959 1.5959 2.2899 2.2899 2.3033 2.3033 2.6337 2.6337 3.1561 3.1561 4.1285 4.1285 4.1950 4.1950 5.3573 5.3573 5.8209 5.8209 5.9661 5.9661 7.6532 7.6532 8.3560 8.3560 8.5979 8.5979 9.2137 9.2137 9.2814 9.2814 k = 0.1897 0.1383 0.0000 ( 5886 PWs) bands (ev): -6.6420 -6.6420 -4.7141 -4.7141 -4.3198 -4.3198 -4.3183 -4.3183 -1.8381 -1.8381 -0.6332 -0.6332 -0.5975 -0.5975 -0.5521 -0.5521 -0.4597 -0.4597 -0.3699 -0.3699 -0.2793 -0.2793 -0.2306 -0.2306 -0.1667 -0.1667 -0.1273 -0.1273 -0.1184 -0.1184 0.0314 0.0314 1.6045 1.6045 2.3173 2.3173 2.3317 2.3317 2.6706 2.6706 3.2085 3.2085 4.1551 4.1551 4.2215 4.2215 5.2310 5.2310 5.7579 5.7579 5.9022 5.9022 7.6773 7.6773 8.4066 8.4066 8.6697 8.6697 9.1874 9.1874 9.2061 9.2061 k = 0.2069 0.1509 0.0000 ( 5898 PWs) bands (ev): -6.6171 -6.6171 -4.7782 -4.7782 -4.3214 -4.3214 -4.3200 -4.3200 -1.7856 -1.7856 -0.6453 -0.6453 -0.5966 -0.5966 -0.5548 -0.5548 -0.4619 -0.4619 -0.3793 -0.3793 -0.2733 -0.2733 -0.2338 -0.2338 -0.1668 -0.1668 -0.1297 -0.1297 -0.1210 -0.1210 0.0346 0.0346 1.6165 1.6165 2.3467 2.3467 2.3621 2.3621 2.7083 2.7083 3.2629 3.2629 4.1830 4.1830 4.2492 4.2492 5.1057 5.1057 5.6949 5.6949 5.8372 5.8372 7.7040 7.7040 8.4606 8.4606 8.6934 8.6934 9.0978 9.0978 9.1158 9.1158 k = 0.2241 0.1634 0.0000 ( 5882 PWs) bands (ev): -6.5901 -6.5901 -4.8439 -4.8439 -4.3231 -4.3231 -4.3218 -4.3218 -1.7330 -1.7330 -0.6608 -0.6608 -0.5951 -0.5951 -0.5561 -0.5561 -0.4645 -0.4645 -0.3879 -0.3879 -0.2676 -0.2676 -0.2366 -0.2366 -0.1664 -0.1664 -0.1322 -0.1322 -0.1231 -0.1231 0.0370 0.0370 1.6324 1.6324 2.3779 2.3779 2.3940 2.3940 2.7461 2.7461 3.3185 3.3185 4.2120 4.2120 4.2778 4.2778 4.9826 4.9826 5.6325 5.6325 5.7721 5.7721 7.7331 7.7331 8.5174 8.5174 8.6710 8.6710 8.9924 8.9924 9.0097 9.0097 k = 0.2414 0.1760 0.0000 ( 5902 PWs) bands (ev): -6.5611 -6.5611 -4.9109 -4.9109 -4.3248 -4.3248 -4.3236 -4.3236 -1.6807 -1.6807 -0.6788 -0.6788 -0.5931 -0.5931 -0.5563 -0.5563 -0.4676 -0.4676 -0.3959 -0.3959 -0.2628 -0.2628 -0.2385 -0.2385 -0.1657 -0.1657 -0.1347 -0.1347 -0.1247 -0.1247 0.0387 0.0387 1.6524 1.6524 2.4104 2.4104 2.4273 2.4273 2.7830 2.7830 3.3749 3.3749 4.2415 4.2415 4.3066 4.3066 4.8627 4.8627 5.5713 5.5713 5.7078 5.7078 7.7647 7.7647 8.5759 8.5759 8.6201 8.6201 8.8815 8.8815 8.8981 8.8981 k = 0.2586 0.1886 0.0000 ( 5902 PWs) bands (ev): -6.5299 -6.5299 -4.9787 -4.9787 -4.3265 -4.3265 -4.3254 -4.3254 -1.6292 -1.6292 -0.6989 -0.6989 -0.5908 -0.5908 -0.5557 -0.5557 -0.4710 -0.4710 -0.4035 -0.4035 -0.2599 -0.2599 -0.2388 -0.2388 -0.1647 -0.1647 -0.1371 -0.1371 -0.1254 -0.1254 0.0398 0.0398 1.6769 1.6769 2.4442 2.4442 2.4617 2.4617 2.8179 2.8179 3.4315 3.4315 4.2709 4.2709 4.3351 4.3351 4.7472 4.7472 5.5122 5.5122 5.6450 5.6450 7.7986 7.7986 8.5552 8.5552 8.6335 8.6335 8.7684 8.7684 8.7842 8.7842 k = 0.2759 0.2011 0.0000 ( 5902 PWs) bands (ev): -6.4967 -6.4967 -5.0470 -5.0470 -4.3282 -4.3282 -4.3271 -4.3271 -1.5788 -1.5788 -0.7205 -0.7205 -0.5882 -0.5882 -0.5544 -0.5544 -0.4748 -0.4748 -0.4107 -0.4107 -0.2591 -0.2591 -0.2373 -0.2373 -0.1638 -0.1638 -0.1393 -0.1393 -0.1250 -0.1250 0.0400 0.0400 1.7059 1.7059 2.4789 2.4789 2.4969 2.4969 2.8495 2.8495 3.4878 3.4878 4.2999 4.2999 4.3621 4.3621 4.6374 4.6374 5.4560 5.4560 5.5847 5.5847 7.8346 7.8346 8.4846 8.4846 8.6508 8.6508 8.6663 8.6663 8.6941 8.6941 k = 0.2931 0.2137 0.0000 ( 5902 PWs) bands (ev): -6.4615 -6.4615 -5.1156 -5.1156 -4.3299 -4.3299 -4.3289 -4.3289 -1.5298 -1.5298 -0.7434 -0.7434 -0.5855 -0.5855 -0.5526 -0.5526 -0.4788 -0.4788 -0.4178 -0.4178 -0.2598 -0.2598 -0.2349 -0.2349 -0.1631 -0.1631 -0.1412 -0.1412 -0.1229 -0.1229 0.0396 0.0396 1.7397 1.7397 2.5141 2.5141 2.5325 2.5325 2.8765 2.8765 3.5433 3.5433 4.3275 4.3275 4.3856 4.3856 4.5360 4.5360 5.4038 5.4038 5.5277 5.5277 7.8723 7.8723 8.4123 8.4123 8.5415 8.5415 8.5561 8.5561 8.7255 8.7255 k = 0.3103 0.2263 0.0000 ( 5902 PWs) bands (ev): -6.4242 -6.4242 -5.1842 -5.1842 -4.3315 -4.3315 -4.3306 -4.3306 -1.4823 -1.4823 -0.7672 -0.7672 -0.5825 -0.5825 -0.5504 -0.5504 -0.4831 -0.4831 -0.4248 -0.4248 -0.2610 -0.2610 -0.2328 -0.2328 -0.1628 -0.1628 -0.1430 -0.1430 -0.1188 -0.1188 0.0385 0.0385 1.7783 1.7783 2.5495 2.5495 2.5681 2.5681 2.8973 2.8973 3.5973 3.5973 4.3532 4.3532 4.3926 4.3926 4.4563 4.4563 5.3565 5.3565 5.4748 5.4748 7.9109 7.9109 8.3407 8.3407 8.4330 8.4330 8.4470 8.4470 8.7239 8.7239 k = 0.3276 0.2389 0.0000 ( 5898 PWs) bands (ev): -6.3850 -6.3850 -5.2527 -5.2527 -4.3331 -4.3331 -4.3322 -4.3322 -1.4364 -1.4364 -0.7918 -0.7918 -0.5793 -0.5793 -0.5477 -0.5477 -0.4874 -0.4874 -0.4318 -0.4318 -0.2621 -0.2621 -0.2315 -0.2315 -0.1629 -0.1629 -0.1447 -0.1447 -0.1127 -0.1127 0.0368 0.0368 1.8218 1.8218 2.5846 2.5846 2.6033 2.6033 2.9101 2.9101 3.6494 3.6494 4.3351 4.3351 4.3767 4.3767 4.4461 4.4461 5.3152 5.3152 5.4269 5.4269 7.9494 7.9494 8.2711 8.2711 8.3289 8.3289 8.3427 8.3427 8.6786 8.6786 k = 0.3448 0.2514 0.0000 ( 5894 PWs) bands (ev): -6.3439 -6.3439 -5.3207 -5.3207 -4.3345 -4.3345 -4.3337 -4.3337 -1.3923 -1.3923 -0.8170 -0.8170 -0.5760 -0.5760 -0.5448 -0.5448 -0.4919 -0.4919 -0.4388 -0.4388 -0.2630 -0.2630 -0.2312 -0.2312 -0.1633 -0.1633 -0.1464 -0.1464 -0.1049 -0.1049 0.0343 0.0343 1.8701 1.8701 2.6190 2.6190 2.6377 2.6377 2.9132 2.9132 3.6991 3.6991 4.2623 4.2623 4.3964 4.3964 4.4579 4.4579 5.2807 5.2807 5.3847 5.3847 7.9859 7.9859 8.2033 8.2033 8.2307 8.2307 8.2456 8.2456 8.6132 8.6132 k = 0.3621 0.2640 0.0000 ( 5874 PWs) bands (ev): -6.3008 -6.3008 -5.3881 -5.3881 -4.3359 -4.3359 -4.3351 -4.3351 -1.3499 -1.3499 -0.8427 -0.8427 -0.5724 -0.5724 -0.5416 -0.5416 -0.4963 -0.4963 -0.4459 -0.4459 -0.2634 -0.2634 -0.2317 -0.2317 -0.1636 -0.1636 -0.1481 -0.1481 -0.0959 -0.0959 0.0312 0.0312 1.9230 1.9230 2.6520 2.6520 2.6706 2.6706 2.9054 2.9054 3.7458 3.7458 4.1976 4.1976 4.4124 4.4124 4.4679 4.4679 5.2536 5.2536 5.3486 5.3486 8.0172 8.0172 8.1307 8.1307 8.1408 8.1408 8.1635 8.1635 8.5501 8.5501 k = 0.3793 0.2766 0.0000 ( 5878 PWs) bands (ev): -6.2558 -6.2558 -5.4548 -5.4548 -4.3371 -4.3371 -4.3364 -4.3364 -1.3093 -1.3093 -0.8689 -0.8689 -0.5687 -0.5687 -0.5383 -0.5383 -0.5008 -0.5008 -0.4530 -0.4530 -0.2634 -0.2634 -0.2331 -0.2331 -0.1638 -0.1638 -0.1498 -0.1498 -0.0861 -0.0861 0.0274 0.0274 1.9804 1.9804 2.6828 2.6828 2.7015 2.7015 2.8860 2.8860 3.7892 3.7892 4.1440 4.1440 4.4244 4.4244 4.4736 4.4736 5.2340 5.2340 5.3188 5.3188 8.0374 8.0374 8.0506 8.0506 8.0584 8.0584 8.1037 8.1037 8.5024 8.5024 k = 0.3966 0.2891 0.0000 ( 5870 PWs) bands (ev): -6.2090 -6.2090 -5.5207 -5.5207 -4.3382 -4.3382 -4.3376 -4.3376 -1.2704 -1.2704 -0.8956 -0.8956 -0.5649 -0.5649 -0.5349 -0.5349 -0.5050 -0.5050 -0.4600 -0.4600 -0.2629 -0.2629 -0.2351 -0.2351 -0.1638 -0.1638 -0.1515 -0.1515 -0.0759 -0.0759 0.0230 0.0230 2.0420 2.0420 2.7103 2.7103 2.7297 2.7297 2.8556 2.8556 3.8288 3.8288 4.1014 4.1014 4.4325 4.4325 4.4748 4.4748 5.2217 5.2217 5.2951 5.2951 7.9754 7.9754 7.9826 7.9826 8.0374 8.0374 8.0618 8.0618 8.4791 8.4791 k = 0.4138 0.3017 0.0000 ( 5878 PWs) bands (ev): -6.1604 -6.1604 -5.5855 -5.5855 -4.3391 -4.3391 -4.3386 -4.3386 -1.2331 -1.2331 -0.9227 -0.9227 -0.5609 -0.5609 -0.5317 -0.5317 -0.5087 -0.5087 -0.4670 -0.4670 -0.2621 -0.2621 -0.2376 -0.2376 -0.1636 -0.1636 -0.1531 -0.1531 -0.0655 -0.0655 0.0179 0.0179 2.1074 2.1074 2.7307 2.7307 2.7547 2.7547 2.8181 2.8181 3.8644 3.8644 4.0688 4.0688 4.4373 4.4373 4.4723 4.4723 5.2157 5.2157 5.2771 5.2771 7.9096 7.9096 7.9159 7.9159 8.0070 8.0070 8.0417 8.0417 8.4837 8.4837 k = 0.4310 0.3143 0.0000 ( 5890 PWs) bands (ev): -6.1100 -6.1100 -5.6493 -5.6493 -4.3399 -4.3399 -4.3395 -4.3395 -1.1973 -1.1973 -0.9503 -0.9503 -0.5568 -0.5568 -0.5295 -0.5295 -0.5111 -0.5111 -0.4739 -0.4739 -0.2608 -0.2608 -0.2404 -0.2404 -0.1632 -0.1632 -0.1547 -0.1547 -0.0551 -0.0551 0.0121 0.0121 2.1761 2.1761 2.7259 2.7259 2.7756 2.7756 2.7926 2.7926 3.8958 3.8958 4.0442 4.0442 4.4395 4.4395 4.4672 4.4672 5.2145 5.2145 5.2636 5.2636 7.8542 7.8542 7.8595 7.8595 7.9761 7.9761 8.0186 8.0186 8.5126 8.5126 k = 0.4483 0.3268 0.0000 ( 5902 PWs) bands (ev): -6.0579 -6.0579 -5.7119 -5.7119 -4.3405 -4.3405 -4.3402 -4.3402 -1.1629 -1.1629 -0.9784 -0.9784 -0.5525 -0.5525 -0.5295 -0.5295 -0.5111 -0.5111 -0.4806 -0.4806 -0.2591 -0.2591 -0.2433 -0.2433 -0.1627 -0.1627 -0.1561 -0.1561 -0.0450 -0.0450 0.0057 0.0057 2.2476 2.2476 2.6787 2.6787 2.7919 2.7919 2.7977 2.7977 3.9229 3.9229 4.0255 4.0255 4.4403 4.4403 4.4607 4.4607 5.2169 5.2169 5.2535 5.2535 7.8103 7.8103 7.8144 7.8144 7.9528 7.9528 7.9921 7.9921 8.5591 8.5591 k = 0.4655 0.3394 0.0000 ( 5902 PWs) bands (ev): -6.0041 -6.0041 -5.7732 -5.7732 -4.3409 -4.3409 -4.3407 -4.3407 -1.1297 -1.1297 -1.0071 -1.0071 -0.5482 -0.5482 -0.5318 -0.5318 -0.5085 -0.5085 -0.4871 -0.4871 -0.2570 -0.2570 -0.2463 -0.2463 -0.1619 -0.1619 -0.1576 -0.1576 -0.0353 -0.0353 -0.0013 -0.0013 2.3211 2.3211 2.6146 2.6146 2.8044 2.8044 2.8081 2.8081 3.9459 3.9459 4.0101 4.0101 4.4408 4.4408 4.4542 4.4542 5.2214 5.2214 5.2457 5.2457 7.7786 7.7786 7.7813 7.7813 7.9382 7.9382 7.9674 7.9674 8.6177 8.6177 k = 0.4828 0.3520 0.0000 ( 5898 PWs) bands (ev): -5.9487 -5.9487 -5.8332 -5.8332 -4.3411 -4.3411 -4.3410 -4.3410 -1.0977 -1.0977 -1.0365 -1.0365 -0.5438 -0.5438 -0.5354 -0.5354 -0.5041 -0.5041 -0.4932 -0.4932 -0.2546 -0.2546 -0.2492 -0.2492 -0.1610 -0.1610 -0.1588 -0.1588 -0.0259 -0.0259 -0.0089 -0.0089 2.3958 2.3958 2.5442 2.5442 2.8128 2.8128 2.8147 2.8147 3.9653 3.9653 3.9962 3.9962 4.4420 4.4420 4.4486 4.4486 5.2270 5.2270 5.2391 5.2391 7.7596 7.7596 7.7610 7.7610 7.9327 7.9327 7.9480 7.9480 8.6849 8.6849 k = 0.5000 0.3646 0.0000 ( 5902 PWs) bands (ev): -5.8917 -5.8917 -5.8917 -5.8917 -4.3412 -4.3412 -4.3412 -4.3412 -1.0666 -1.0666 -1.0666 -1.0666 -0.5395 -0.5395 -0.5395 -0.5395 -0.4990 -0.4990 -0.4990 -0.4990 -0.2520 -0.2520 -0.2520 -0.2520 -0.1600 -0.1600 -0.1600 -0.1600 -0.0171 -0.0171 -0.0171 -0.0171 2.4706 2.4706 2.4706 2.4706 2.8164 2.8164 2.8164 2.8164 3.9817 3.9817 3.9817 3.9817 4.4445 4.4445 4.4445 4.4445 5.2329 5.2329 5.2329 5.2329 7.7536 7.7536 7.7536 7.7536 7.9361 7.9361 7.9361 7.9361 8.7587 8.7587 k = 0.5000 0.3646 0.0000 ( 5902 PWs) bands (ev): -5.8917 -5.8917 -5.8917 -5.8917 -4.3412 -4.3412 -4.3412 -4.3412 -1.0666 -1.0666 -1.0666 -1.0666 -0.5395 -0.5395 -0.5395 -0.5395 -0.4990 -0.4990 -0.4990 -0.4990 -0.2520 -0.2520 -0.2520 -0.2520 -0.1600 -0.1600 -0.1600 -0.1600 -0.0171 -0.0171 -0.0171 -0.0171 2.4706 2.4706 2.4706 2.4706 2.8164 2.8164 2.8164 2.8164 3.9817 3.9817 3.9817 3.9817 4.4445 4.4445 4.4445 4.4445 5.2329 5.2329 5.2329 5.2329 7.7536 7.7536 7.7536 7.7536 7.9361 7.9361 7.9361 7.9361 8.7587 8.7587 k = 0.4913 0.3765 0.0148 ( 5906 PWs) bands (ev): -5.8913 -5.8912 -5.8908 -5.8908 -4.3437 -4.3436 -4.3411 -4.3410 -1.0684 -1.0660 -1.0660 -1.0646 -0.5438 -0.5434 -0.5371 -0.5352 -0.5069 -0.5047 -0.4925 -0.4887 -0.2573 -0.2538 -0.2499 -0.2472 -0.1655 -0.1602 -0.1598 -0.1547 -0.0211 -0.0178 -0.0153 -0.0092 2.4590 2.4659 2.4686 2.4740 2.8122 2.8154 2.8158 2.8261 3.9717 3.9762 3.9802 3.9864 4.4388 4.4404 4.4519 4.4532 5.2266 5.2296 5.2337 5.2355 7.7389 7.7474 7.7573 7.7588 7.9408 7.9425 7.9466 7.9559 8.7634 8.7637 k = 0.4825 0.3885 0.0297 ( 5902 PWs) bands (ev): -5.8902 -5.8901 -5.8882 -5.8881 -4.3510 -4.3509 -4.3408 -4.3407 -1.0703 -1.0649 -1.0639 -1.0615 -0.5482 -0.5478 -0.5380 -0.5312 -0.5108 -0.5094 -0.4853 -0.4773 -0.2628 -0.2553 -0.2475 -0.2428 -0.1707 -0.1605 -0.1597 -0.1502 -0.0244 -0.0138 -0.0129 0.0037 2.4402 2.4544 2.4598 2.4686 2.8121 2.8136 2.8152 2.8405 3.9519 3.9599 3.9773 3.9902 4.4295 4.4328 4.4684 4.4710 5.2112 5.2171 5.2375 5.2411 7.7128 7.7254 7.7696 7.7727 7.9567 7.9600 7.9820 7.9963 8.7781 8.7787 k = 0.4738 0.4005 0.0445 ( 5910 PWs) bands (ev): -5.8883 -5.8881 -5.8838 -5.8837 -4.3631 -4.3629 -4.3403 -4.3401 -1.0722 -1.0640 -1.0602 -1.0570 -0.5529 -0.5523 -0.5422 -0.5278 -0.5127 -0.5103 -0.4775 -0.4653 -0.2684 -0.2565 -0.2450 -0.2391 -0.1753 -0.1608 -0.1597 -0.1472 -0.0284 -0.0129 -0.0007 0.0215 2.4156 2.4365 2.4447 2.4551 2.8082 2.8098 2.8229 2.8582 3.9225 3.9337 3.9743 3.9939 4.4148 4.4199 4.4940 4.4981 5.1868 5.1958 5.2446 5.2499 7.6847 7.6986 7.7906 7.7952 7.9834 7.9882 8.0307 8.0471 8.8030 8.8038 k = 0.4650 0.4125 0.0593 ( 5910 PWs) bands (ev): -5.8857 -5.8855 -5.8777 -5.8775 -4.3797 -4.3794 -4.3396 -4.3394 -1.0744 -1.0633 -1.0552 -1.0512 -0.5579 -0.5566 -0.5477 -0.5266 -0.5133 -0.5075 -0.4692 -0.4532 -0.2738 -0.2572 -0.2424 -0.2358 -0.1792 -0.1612 -0.1598 -0.1457 -0.0329 -0.0126 0.0192 0.0442 2.3866 2.4125 2.4237 2.4348 2.8024 2.8044 2.8358 2.8780 3.8855 3.8995 3.9714 3.9978 4.3946 4.4015 4.5268 4.5324 5.1543 5.1663 5.2550 5.2621 7.6591 7.6732 7.8202 7.8265 8.0207 8.0268 8.0861 8.1033 8.8383 8.8391 k = 0.4563 0.4245 0.0742 ( 5910 PWs) bands (ev): -5.8824 -5.8822 -5.8698 -5.8696 -4.4004 -4.4001 -4.3387 -4.3384 -1.0767 -1.0630 -1.0489 -1.0442 -0.5634 -0.5606 -0.5529 -0.5278 -0.5107 -0.5039 -0.4605 -0.4413 -0.2790 -0.2576 -0.2399 -0.2330 -0.1826 -0.1616 -0.1599 -0.1455 -0.0379 -0.0130 0.0463 0.0718 2.3542 2.3833 2.3974 2.4091 2.7948 2.7973 2.8522 2.8992 3.8428 3.8589 3.9685 4.0017 4.3687 4.3776 4.5652 4.5724 5.1146 5.1294 5.2688 5.2778 7.6377 7.6514 7.8582 7.8662 8.0679 8.0753 8.1446 8.1621 8.8842 8.8850 k = 0.4476 0.4365 0.0890 ( 5906 PWs) bands (ev): -5.8786 -5.8783 -5.8602 -5.8600 -4.4250 -4.4246 -4.3377 -4.3373 -1.0793 -1.0632 -1.0416 -1.0363 -0.5693 -0.5642 -0.5573 -0.5299 -0.5065 -0.5001 -0.4517 -0.4301 -0.2838 -0.2576 -0.2377 -0.2303 -0.1854 -0.1620 -0.1601 -0.1461 -0.0433 -0.0139 0.0802 0.1046 2.3195 2.3495 2.3665 2.3794 2.7855 2.7884 2.8711 2.9210 3.7956 3.8135 3.9657 4.0058 4.3371 4.3480 4.6079 4.6164 5.0686 5.0863 5.2861 5.2970 7.6213 7.6343 7.9043 7.9142 8.1245 8.1328 8.2044 8.2218 8.9409 8.9415 k = 0.4388 0.4485 0.1038 ( 5900 PWs) bands (ev): -5.8744 -5.8740 -5.8489 -5.8486 -4.4530 -4.4525 -4.3364 -4.3360 -1.0822 -1.0639 -1.0335 -1.0277 -0.5750 -0.5676 -0.5611 -0.5321 -0.5017 -0.4964 -0.4428 -0.4196 -0.2882 -0.2572 -0.2361 -0.2276 -0.1879 -0.1625 -0.1605 -0.1470 -0.0491 -0.0155 0.1205 0.1426 2.2831 2.3120 2.3318 2.3469 2.7743 2.7776 2.8916 2.9431 3.7451 3.7644 3.9631 4.0101 4.2999 4.3130 4.6538 4.6631 5.0176 5.0380 5.3070 5.3197 7.6099 7.6222 7.9584 7.9701 8.1897 8.1988 8.2641 8.2813 9.0084 9.0084 k = 0.4301 0.4605 0.1187 ( 5898 PWs) bands (ev): -5.8698 -5.8694 -5.8358 -5.8356 -4.4838 -4.4832 -4.3350 -4.3345 -1.0855 -1.0651 -1.0249 -1.0187 -0.5805 -0.5706 -0.5646 -0.5340 -0.4965 -0.4930 -0.4339 -0.4103 -0.2922 -0.2565 -0.2351 -0.2248 -0.1899 -0.1630 -0.1610 -0.1480 -0.0550 -0.0176 0.1664 0.1859 2.2457 2.2718 2.2942 2.3123 2.7612 2.7649 2.9131 2.9651 3.6922 3.7125 3.9610 4.0147 4.2574 4.2726 4.7018 4.7110 4.9634 4.9860 5.3313 5.3458 7.6037 7.6152 8.0198 8.0335 8.2627 8.2722 8.3231 8.3400 9.0853 9.0862 k = 0.4213 0.4724 0.1335 ( 5896 PWs) bands (ev): -5.8650 -5.8645 -5.8211 -5.8208 -4.5170 -4.5164 -4.3334 -4.3328 -1.0892 -1.0671 -1.0159 -1.0095 -0.5856 -0.5735 -0.5678 -0.5353 -0.4913 -0.4900 -0.4253 -0.4020 -0.2956 -0.2555 -0.2348 -0.2219 -0.1918 -0.1636 -0.1618 -0.1487 -0.0611 -0.0202 0.2176 0.2342 2.2077 2.2297 2.2545 2.2766 2.7460 2.7501 2.9352 2.9867 3.6376 3.6588 3.9597 4.0200 4.2099 4.2272 4.7500 4.7569 4.9094 4.9322 5.3587 5.3749 7.6024 7.6131 8.0881 8.1038 8.3424 8.3521 8.3811 8.3977 9.1715 9.1737 k = 0.4126 0.4844 0.1484 ( 5890 PWs) bands (ev): -5.8602 -5.8597 -5.8047 -5.8044 -4.5520 -4.5514 -4.3317 -4.3310 -1.0934 -1.0699 -1.0067 -1.0002 -0.5902 -0.5761 -0.5708 -0.5361 -0.4874 -0.4860 -0.4170 -0.3950 -0.2985 -0.2542 -0.2353 -0.2191 -0.1934 -0.1641 -0.1627 -0.1490 -0.0672 -0.0233 0.2735 0.2872 2.1697 2.1864 2.2136 2.2404 2.7288 2.7333 2.9574 3.0077 3.5821 3.6037 3.9595 4.0262 4.1579 4.1773 4.7843 4.7925 4.8726 4.8833 5.3890 5.4067 7.6057 7.6157 8.1626 8.1804 8.4277 8.4373 8.4380 8.4543 9.2659 9.2699 k = 0.4039 0.4964 0.1632 ( 5894 PWs) bands (ev): -5.8556 -5.8550 -5.7867 -5.7863 -4.5883 -4.5876 -4.3298 -4.3291 -1.0982 -1.0736 -0.9974 -0.9909 -0.5943 -0.5787 -0.5736 -0.5363 -0.4852 -0.4809 -0.4090 -0.3890 -0.3010 -0.2528 -0.2366 -0.2163 -0.1949 -0.1647 -0.1640 -0.1488 -0.0731 -0.0269 0.3333 0.3445 2.1321 2.1430 2.1726 2.2041 2.7095 2.7142 2.9793 3.0277 3.5262 3.5481 3.9606 4.0336 4.1019 4.1231 4.7541 4.7899 4.8789 4.8923 5.4217 5.4407 7.6135 7.6227 8.2425 8.2623 8.4935 8.5098 8.5178 8.5267 9.3676 9.3739 k = 0.3951 0.5084 0.1780 ( 5888 PWs) bands (ev): -5.8514 -5.8508 -5.7670 -5.7666 -4.6252 -4.6244 -4.3278 -4.3271 -1.1038 -1.0784 -0.9882 -0.9818 -0.5980 -0.5813 -0.5763 -0.5358 -0.4837 -0.4758 -0.4015 -0.3840 -0.3029 -0.2512 -0.2385 -0.2135 -0.1962 -0.1655 -0.1653 -0.1480 -0.0786 -0.0307 0.3963 0.4052 2.0952 2.1004 2.1324 2.1684 2.6882 2.6929 3.0007 3.0464 3.4705 3.4922 3.9627 4.0420 4.0434 4.0658 4.6978 4.7404 4.9214 4.9376 5.4563 5.4764 7.6254 7.6338 8.3266 8.3487 8.5485 8.5645 8.6105 8.6184 9.4752 9.4845 k = 0.3864 0.5204 0.1929 ( 5888 PWs) bands (ev): -5.8480 -5.8474 -5.7457 -5.7453 -4.6621 -4.6613 -4.3257 -4.3249 -1.1101 -1.0843 -0.9791 -0.9728 -0.6013 -0.5838 -0.5788 -0.5347 -0.4827 -0.4710 -0.3947 -0.3799 -0.3043 -0.2496 -0.2410 -0.2109 -0.1973 -0.1673 -0.1658 -0.1466 -0.0838 -0.0347 0.4616 0.4686 2.0594 2.0595 2.0940 2.1335 2.6650 2.6696 3.0212 3.0634 3.4154 3.4368 3.9575 3.9912 4.0036 4.0539 4.6376 4.6845 4.9705 4.9867 5.4922 5.5132 7.6412 7.6488 8.4139 8.4383 8.6028 8.6184 8.7042 8.7106 9.5877 9.6005 k = 0.3776 0.5324 0.2077 ( 5892 PWs) bands (ev): -5.8457 -5.8450 -5.7228 -5.7224 -4.6984 -4.6975 -4.3236 -4.3227 -1.1173 -1.0915 -0.9701 -0.9641 -0.6042 -0.5864 -0.5812 -0.5331 -0.4824 -0.4664 -0.3885 -0.3765 -0.3053 -0.2481 -0.2440 -0.2085 -0.1984 -0.1694 -0.1663 -0.1446 -0.0883 -0.0388 0.5280 0.5334 2.0216 2.0254 2.0582 2.0999 2.6400 2.6442 3.0402 3.0781 3.3616 3.3821 3.9066 3.9401 3.9846 4.0665 4.5780 4.6292 5.0200 5.0357 5.5287 5.5504 7.6605 7.6674 8.5026 8.5298 8.6568 8.6713 8.7965 8.8009 9.7037 9.7206 k = 0.3689 0.5444 0.2225 ( 5896 PWs) bands (ev): -5.8448 -5.8440 -5.6985 -5.6980 -4.7334 -4.7325 -4.3213 -4.3204 -1.1256 -1.1001 -0.9613 -0.9556 -0.6068 -0.5889 -0.5834 -0.5310 -0.4828 -0.4621 -0.3832 -0.3738 -0.3058 -0.2473 -0.2467 -0.2061 -0.1993 -0.1718 -0.1666 -0.1422 -0.0920 -0.0429 0.5941 0.5984 1.9880 1.9940 2.0259 2.0678 2.6135 2.6169 3.0572 3.0898 3.3096 3.3287 3.8404 3.8742 3.9939 4.0811 4.5209 4.5766 5.0683 5.0833 5.5652 5.5874 7.6831 7.6892 8.5903 8.6214 8.7113 8.7235 8.8844 8.8861 9.8221 9.8434 k = 0.3602 0.5564 0.2374 ( 5886 PWs) bands (ev): -5.8456 -5.8448 -5.6725 -5.6720 -4.7665 -4.7655 -4.3191 -4.3181 -1.1351 -1.1102 -0.9527 -0.9472 -0.6090 -0.5915 -0.5855 -0.5284 -0.4840 -0.4582 -0.3788 -0.3715 -0.3059 -0.2506 -0.2455 -0.2041 -0.2001 -0.1745 -0.1667 -0.1394 -0.0949 -0.0469 0.6582 0.6619 1.9603 1.9661 1.9979 2.0375 2.5857 2.5882 3.0716 3.0973 3.2604 3.2770 3.7712 3.8065 4.0073 4.0976 4.4680 4.5279 5.1145 5.1287 5.6010 5.6233 7.7087 7.7139 8.6725 8.7095 8.7690 8.7764 8.9625 8.9641 9.9414 9.9464 k = 0.3514 0.5683 0.2522 ( 5886 PWs) bands (ev): -5.8487 -5.8478 -5.6452 -5.6446 -4.7970 -4.7961 -4.3167 -4.3157 -1.1458 -1.1219 -0.9442 -0.9390 -0.6110 -0.5940 -0.5873 -0.5255 -0.4861 -0.4547 -0.3754 -0.3697 -0.3056 -0.2537 -0.2447 -0.2023 -0.2006 -0.1774 -0.1665 -0.1366 -0.0967 -0.0507 0.7184 0.7220 1.9404 1.9423 1.9757 2.0091 2.5570 2.5581 3.0827 3.0988 3.2155 3.2273 3.7004 3.7376 4.0235 4.1153 4.4211 4.4845 5.1581 5.1712 5.6353 5.6576 7.7371 7.7412 8.7423 8.7842 8.8347 8.8377 9.0263 9.0316 10.0140 10.0312 k = 0.3427 0.5803 0.2670 ( 5904 PWs) bands (ev): -5.8543 -5.8533 -5.6164 -5.6158 -4.8244 -4.8235 -4.3144 -4.3134 -1.1580 -1.1354 -0.9359 -0.9310 -0.6128 -0.5964 -0.5889 -0.5224 -0.4890 -0.4515 -0.3731 -0.3684 -0.3049 -0.2564 -0.2444 -0.2011 -0.2011 -0.1802 -0.1659 -0.1338 -0.0975 -0.0543 0.7725 0.7765 1.9218 1.9299 1.9622 1.9832 2.5273 2.5278 3.0895 3.0910 3.1779 3.1803 3.6286 3.6678 4.0422 4.1330 4.3825 4.4477 5.1983 5.2101 5.6674 5.6895 7.7677 7.7708 8.7956 8.8356 8.9105 8.9150 9.0743 9.0832 10.0812 10.0969 k = 0.3339 0.5923 0.2819 ( 5909 PWs) bands (ev): -5.8627 -5.8618 -5.5862 -5.5856 -4.8482 -4.8472 -4.3121 -4.3110 -1.1717 -1.1506 -0.9277 -0.9231 -0.6145 -0.5988 -0.5902 -0.5191 -0.4928 -0.4486 -0.3718 -0.3674 -0.3038 -0.2585 -0.2448 -0.2013 -0.2005 -0.1829 -0.1647 -0.1312 -0.0971 -0.0576 0.8181 0.8231 1.9031 1.9291 1.9610 1.9617 2.4960 2.4984 3.0705 3.0896 3.1378 3.1509 3.5563 3.5975 4.0628 4.1484 4.3552 4.4185 5.2346 5.2450 5.6967 5.7183 7.8005 7.8022 8.8358 8.8725 8.9912 8.9977 9.1049 9.1167 10.1566 10.1727 k = 0.3252 0.6043 0.2967 ( 5905 PWs) bands (ev): -5.8744 -5.8734 -5.5546 -5.5540 -4.8679 -4.8669 -4.3098 -4.3086 -1.1871 -1.1676 -0.9196 -0.9153 -0.6161 -0.6010 -0.5912 -0.5157 -0.4974 -0.4460 -0.3713 -0.3667 -0.3025 -0.2599 -0.2459 -0.2014 -0.2005 -0.1851 -0.1630 -0.1288 -0.0956 -0.0605 0.8533 0.8599 1.8857 1.9248 1.9597 1.9744 2.4647 2.4694 3.0397 3.0750 3.1078 3.1318 3.4839 3.5270 4.0847 4.1588 4.3429 4.3981 5.2665 5.2752 5.7224 5.7434 7.8348 7.8352 8.8664 8.8999 9.0720 9.0786 9.1199 9.1327 10.2446 10.2619 k = 0.3165 0.6163 0.3115 ( 5909 PWs) bands (ev): -5.8894 -5.8884 -5.5218 -5.5211 -4.8831 -4.8821 -4.3075 -4.3063 -1.2042 -1.1866 -0.9115 -0.9074 -0.6177 -0.6032 -0.5919 -0.5124 -0.5028 -0.4437 -0.3714 -0.3663 -0.3010 -0.2606 -0.2478 -0.2016 -0.2013 -0.1865 -0.1609 -0.1265 -0.0930 -0.0630 0.8767 0.8854 1.8699 1.9074 1.9878 2.0034 2.4340 2.4411 3.0051 3.0425 3.0931 3.1140 3.4116 3.4567 4.1069 4.1625 4.3476 4.3876 5.2933 5.3002 5.7440 5.7643 7.8692 7.8705 8.8891 8.9192 9.1181 9.1329 9.1525 9.1604 10.3460 10.3647 k = 0.3165 0.6163 0.3115 ( 5909 PWs) bands (ev): -5.8894 -5.8884 -5.5218 -5.5211 -4.8831 -4.8821 -4.3075 -4.3063 -1.2042 -1.1866 -0.9115 -0.9074 -0.6177 -0.6032 -0.5919 -0.5124 -0.5028 -0.4437 -0.3714 -0.3663 -0.3010 -0.2606 -0.2478 -0.2016 -0.2013 -0.1865 -0.1609 -0.1265 -0.0930 -0.0630 0.8767 0.8854 1.8699 1.9074 1.9878 2.0034 2.4340 2.4411 3.0051 3.0425 3.0931 3.1140 3.4116 3.4567 4.1069 4.1625 4.3476 4.3876 5.2933 5.3002 5.7440 5.7643 7.8692 7.8705 8.8891 8.9192 9.1181 9.1329 9.1525 9.1604 10.3460 10.3647 k = 0.2978 0.6109 0.3182 ( 5911 PWs) bands (ev): -5.8994 -5.8984 -5.5048 -5.5041 -4.8871 -4.8861 -4.3069 -4.3057 -1.2138 -1.1973 -0.9074 -0.9032 -0.6183 -0.6041 -0.5921 -0.5124 -0.5042 -0.4422 -0.3721 -0.3660 -0.3002 -0.2608 -0.2490 -0.2032 -0.2004 -0.1870 -0.1595 -0.1254 -0.0926 -0.0626 0.8824 0.8933 1.8623 1.8973 2.0085 2.0242 2.4171 2.4256 2.9871 3.0236 3.0816 3.1110 3.3855 3.4334 4.1144 4.1623 4.3548 4.3876 5.2964 5.3040 5.7565 5.7756 7.8888 7.8913 8.8949 8.9230 9.1026 9.1167 9.2029 9.2115 10.3950 10.4143 k = 0.2792 0.6056 0.3248 ( 5906 PWs) bands (ev): -5.9131 -5.9122 -5.4852 -5.4845 -4.8873 -4.8863 -4.3073 -4.3061 -1.2264 -1.2111 -0.9026 -0.8978 -0.6189 -0.6052 -0.5922 -0.5163 -0.5024 -0.4398 -0.3736 -0.3657 -0.2992 -0.2609 -0.2505 -0.2054 -0.1993 -0.1875 -0.1574 -0.1239 -0.0939 -0.0595 0.8847 0.8991 1.8559 1.8876 2.0332 2.0481 2.3940 2.4046 2.9647 2.9949 3.0706 3.1077 3.3751 3.4267 4.1172 4.1614 4.3636 4.3918 5.2863 5.2962 5.7740 5.7907 7.9165 7.9208 8.8963 8.9215 9.0838 9.0979 9.2632 9.2718 10.4416 10.4621 k = 0.2606 0.6002 0.3315 ( 5902 PWs) bands (ev): -5.9290 -5.9281 -5.4651 -5.4645 -4.8833 -4.8823 -4.3087 -4.3075 -1.2415 -1.2275 -0.8974 -0.8918 -0.6193 -0.6063 -0.5925 -0.5223 -0.4988 -0.4367 -0.3755 -0.3656 -0.2982 -0.2611 -0.2523 -0.2078 -0.1981 -0.1879 -0.1550 -0.1221 -0.0955 -0.0544 0.8851 0.9030 1.8521 1.8807 2.0582 2.0715 2.3663 2.3795 2.9361 2.9525 3.0700 3.1025 3.3814 3.4344 4.1155 4.1598 4.3736 4.3997 5.2666 5.2789 5.7924 5.8056 7.9522 7.9588 8.8955 8.9172 9.0677 9.0818 9.3291 9.3384 10.4820 10.5041 k = 0.2420 0.5949 0.3381 ( 5902 PWs) bands (ev): -5.9459 -5.9451 -5.4460 -5.4455 -4.8748 -4.8738 -4.3113 -4.3101 -1.2585 -1.2459 -0.8919 -0.8856 -0.6197 -0.6074 -0.5929 -0.5290 -0.4944 -0.4333 -0.3777 -0.3658 -0.2974 -0.2619 -0.2539 -0.2104 -0.1969 -0.1880 -0.1528 -0.1205 -0.0958 -0.0483 0.8844 0.9054 1.8509 1.8765 2.0816 2.0924 2.3356 2.3522 2.8989 2.9012 3.0782 3.1024 3.4007 3.4524 4.1100 4.1569 4.3849 4.4108 5.2402 5.2546 5.8080 5.8171 7.9952 8.0047 8.8955 8.9142 9.0546 9.0683 9.4011 9.4117 10.5156 10.5394 k = 0.2234 0.5895 0.3447 ( 5909 PWs) bands (ev): -5.9630 -5.9622 -5.4290 -5.4286 -4.8617 -4.8607 -4.3153 -4.3141 -1.2770 -1.2658 -0.8865 -0.8795 -0.6199 -0.6086 -0.5933 -0.5361 -0.4895 -0.4298 -0.3800 -0.3664 -0.2968 -0.2638 -0.2548 -0.2132 -0.1958 -0.1878 -0.1510 -0.1198 -0.0935 -0.0415 0.8833 0.9067 1.8517 1.8748 2.1014 2.1096 2.3041 2.3247 2.8466 2.8544 3.0920 3.1114 3.4280 3.4769 4.1014 4.1520 4.3981 4.4250 5.2092 5.2252 5.8173 5.8232 8.0452 8.0579 8.8988 8.9164 9.0436 9.0568 9.4793 9.4918 10.5427 10.5680 k = 0.2048 0.5841 0.3514 ( 5910 PWs) bands (ev): -5.9797 -5.9790 -5.4147 -5.4143 -4.8443 -4.8433 -4.3207 -4.3195 -1.2964 -1.2865 -0.8811 -0.8737 -0.6200 -0.6097 -0.5938 -0.5433 -0.4842 -0.4262 -0.3824 -0.3672 -0.2966 -0.2666 -0.2549 -0.2161 -0.1946 -0.1873 -0.1496 -0.1203 -0.0880 -0.0344 0.8824 0.9076 1.8536 1.8746 2.1158 2.1221 2.2741 2.2991 2.7921 2.8062 3.1100 3.1289 3.4598 3.5054 4.0904 4.1449 4.4140 4.4421 5.1749 5.1926 5.8173 5.8236 8.1016 8.1178 8.9071 8.9265 9.0344 9.0468 9.5634 9.5783 10.5625 10.5888 k = 0.1861 0.5788 0.3580 ( 5914 PWs) bands (ev): -5.9956 -5.9950 -5.4031 -5.4027 -4.8229 -4.8218 -4.3276 -4.3264 -1.3163 -1.3077 -0.8760 -0.8684 -0.6200 -0.6107 -0.5944 -0.5504 -0.4787 -0.4227 -0.3848 -0.3684 -0.2966 -0.2701 -0.2545 -0.2189 -0.1934 -0.1866 -0.1487 -0.1216 -0.0801 -0.0273 0.8822 0.9082 1.8557 1.8754 2.1211 2.1306 2.2480 2.2772 2.7404 2.7577 3.1319 3.1524 3.4933 3.5354 4.0781 4.1357 4.4329 4.4618 5.1385 5.1578 5.8075 5.8174 8.1639 8.1837 8.9218 8.9452 9.0264 9.0378 9.6528 9.6704 10.5739 10.5995 k = 0.1675 0.5734 0.3646 ( 5911 PWs) bands (ev): -6.0105 -6.0100 -5.3941 -5.3938 -4.7980 -4.7969 -4.3362 -4.3350 -1.3362 -1.3287 -0.8712 -0.8636 -0.6199 -0.6117 -0.5951 -0.5573 -0.4729 -0.4194 -0.3871 -0.3698 -0.2969 -0.2739 -0.2538 -0.2218 -0.1922 -0.1857 -0.1479 -0.1232 -0.0706 -0.0203 0.8829 0.9089 1.8573 1.8762 2.1165 2.1336 2.2280 2.2609 2.6929 2.7114 3.1574 3.1798 3.5266 3.5650 4.0659 4.1251 4.4550 4.4837 5.1009 5.1221 5.7891 5.8034 8.2315 8.2551 8.9428 8.9717 9.0193 9.0300 9.7466 9.7670 10.5761 10.5990 k = 0.1489 0.5680 0.3713 ( 5899 PWs) bands (ev): -6.0242 -6.0237 -5.3875 -5.3873 -4.7704 -4.7693 -4.3465 -4.3453 -1.3556 -1.3492 -0.8667 -0.8594 -0.6197 -0.6125 -0.5957 -0.5637 -0.4671 -0.4165 -0.3893 -0.3714 -0.2973 -0.2775 -0.2529 -0.2246 -0.1910 -0.1848 -0.1473 -0.1249 -0.0602 -0.0137 0.8845 0.9098 1.8577 1.8764 2.1042 2.1293 2.2151 2.2505 2.6507 2.6690 3.1858 3.2099 3.5575 3.5920 4.0553 4.1145 4.4799 4.5073 5.0631 5.0864 5.7634 5.7817 8.3039 8.3312 8.9688 9.0033 9.0133 9.0241 9.8429 9.8664 10.5707 10.5901 k = 0.1303 0.5627 0.3779 ( 5901 PWs) bands (ev): -6.0365 -6.0361 -5.3829 -5.3827 -4.7409 -4.7398 -4.3586 -4.3574 -1.3741 -1.3686 -0.8627 -0.8558 -0.6194 -0.6133 -0.5963 -0.5698 -0.4612 -0.4141 -0.3914 -0.3732 -0.2978 -0.2810 -0.2520 -0.2273 -0.1898 -0.1839 -0.1466 -0.1267 -0.0495 -0.0075 0.8870 0.9109 1.8567 1.8754 2.0878 2.1186 2.2080 2.2446 2.6141 2.6314 3.2165 3.2417 3.5840 3.6140 4.0482 4.1052 4.5068 4.5317 5.0262 5.0519 5.7320 5.7536 8.3803 8.4111 8.9949 9.0082 9.0193 9.0410 9.9390 9.9657 10.5592 10.5758 k = 0.1117 0.5573 0.3845 ( 5899 PWs) bands (ev): -6.0473 -6.0470 -5.3798 -5.3796 -4.7102 -4.7092 -4.3725 -4.3712 -1.3910 -1.3865 -0.8591 -0.8529 -0.6190 -0.6139 -0.5969 -0.5753 -0.4554 -0.4124 -0.3929 -0.3751 -0.2983 -0.2843 -0.2509 -0.2299 -0.1887 -0.1832 -0.1458 -0.1283 -0.0389 -0.0021 0.8904 0.9121 1.8546 1.8728 2.0707 2.1036 2.2049 2.2415 2.5833 2.5992 3.2488 3.2744 3.6042 3.6290 4.0464 4.0987 4.5344 4.5557 4.9914 5.0195 5.6968 5.7206 8.4596 8.4937 9.0020 9.0054 9.0357 9.0752 10.0295 10.0594 10.5417 10.5547 k = 0.0931 0.5520 0.3912 ( 5903 PWs) bands (ev): -6.0566 -6.0563 -5.3778 -5.3776 -4.6792 -4.6782 -4.3880 -4.3868 -1.4062 -1.4024 -0.8560 -0.8506 -0.6185 -0.6144 -0.5974 -0.5803 -0.4498 -0.4119 -0.3936 -0.3771 -0.2987 -0.2872 -0.2498 -0.2324 -0.1876 -0.1826 -0.1448 -0.1300 -0.0288 0.0023 0.8943 0.9133 1.8516 1.8686 2.0551 2.0867 2.2046 2.2396 2.5580 2.5724 3.2817 3.3071 3.6165 3.6358 4.0507 4.0961 4.5612 4.5782 4.9603 4.9906 5.6602 5.6849 8.5404 8.5774 8.9991 9.0024 9.0602 9.1052 10.1047 10.1366 10.5194 10.5269 k = 0.0745 0.5466 0.3978 ( 5901 PWs) bands (ev): -6.0642 -6.0640 -5.3766 -5.3764 -4.6487 -4.6477 -4.4049 -4.4038 -1.4190 -1.4161 -0.8533 -0.8488 -0.6180 -0.6147 -0.5978 -0.5846 -0.4443 -0.4127 -0.3934 -0.3791 -0.2989 -0.2898 -0.2486 -0.2347 -0.1865 -0.1823 -0.1437 -0.1316 -0.0195 0.0057 0.8985 0.9143 1.8486 1.8633 2.0420 2.0697 2.2065 2.2380 2.5381 2.5508 3.3143 3.3386 3.6202 3.6349 4.0604 4.0973 4.5850 4.5976 4.9350 4.9661 5.6251 5.6488 8.6207 8.6599 8.9966 8.9997 9.0788 9.1262 10.1503 10.1800 10.5079 10.5135 k = 0.0558 0.5412 0.4044 ( 5905 PWs) bands (ev): -6.0702 -6.0700 -5.3759 -5.3758 -4.6197 -4.6188 -4.4228 -4.4217 -1.4293 -1.4271 -0.8511 -0.8476 -0.6175 -0.6150 -0.5979 -0.5884 -0.4391 -0.4147 -0.3924 -0.3812 -0.2989 -0.2921 -0.2473 -0.2369 -0.1855 -0.1822 -0.1425 -0.1333 -0.0112 0.0078 0.9026 0.9149 1.8459 1.8576 2.0322 2.0541 2.2102 2.2360 2.5232 2.5338 3.3454 3.3672 3.6166 3.6282 4.0734 4.1012 4.6037 4.6130 4.9173 4.9465 5.5943 5.6150 8.6976 8.7372 8.9954 8.9986 9.0875 9.1342 10.1616 10.1840 10.5110 10.5152 k = 0.0372 0.5359 0.4111 ( 5898 PWs) bands (ev): -6.0745 -6.0744 -5.3756 -5.3755 -4.5939 -4.5930 -4.4404 -4.4395 -1.4368 -1.4353 -0.8493 -0.8469 -0.6169 -0.6153 -0.5976 -0.5915 -0.4341 -0.4176 -0.3909 -0.3832 -0.2986 -0.2941 -0.2459 -0.2390 -0.1846 -0.1823 -0.1411 -0.1349 -0.0043 0.0085 0.9065 0.9149 1.8442 1.8523 2.0259 2.0409 2.2150 2.2334 2.5134 2.5211 3.3731 3.3903 3.6090 3.6182 4.0869 4.1053 4.6166 4.6232 4.9081 4.9314 5.5709 5.5864 8.7666 8.8026 8.9970 8.9995 9.0861 9.1275 10.1538 10.1680 10.5131 10.5162 k = 0.0186 0.5305 0.4177 ( 5901 PWs) bands (ev): -6.0770 -6.0770 -5.3754 -5.3754 -4.5741 -4.5736 -4.4548 -4.4542 -1.4412 -1.4405 -0.8480 -0.8468 -0.6164 -0.6156 -0.5969 -0.5939 -0.4294 -0.4211 -0.3891 -0.3852 -0.2979 -0.2957 -0.2443 -0.2409 -0.1838 -0.1826 -0.1396 -0.1365 0.0012 0.0076 0.9098 0.9141 1.8438 1.8479 2.0235 2.0311 2.2202 2.2298 2.5085 2.5126 3.3945 3.4043 3.6025 3.6081 4.0981 4.1073 4.6243 4.6280 4.9070 4.9200 5.5576 5.5659 8.8209 8.8442 9.0021 9.0028 9.0811 9.1086 10.1445 10.1514 10.5135 10.5150 k = 0.0000 0.5252 0.4243 ( 5904 PWs) bands (ev): -6.0779 -6.0779 -5.3754 -5.3754 -4.5660 -4.5660 -4.4606 -4.4606 -1.4424 -1.4424 -0.8472 -0.8472 -0.6160 -0.6160 -0.5957 -0.5957 -0.4250 -0.4250 -0.3872 -0.3872 -0.2970 -0.2970 -0.2427 -0.2427 -0.1831 -0.1831 -0.1381 -0.1381 0.0052 0.0052 0.9124 0.9124 1.8451 1.8451 2.0252 2.0252 2.2254 2.2254 2.5083 2.5083 3.4059 3.4059 3.6019 3.6019 4.1051 4.1051 4.6281 4.6281 4.9116 4.9116 5.5559 5.5559 8.8502 8.8502 9.0056 9.0056 9.0877 9.0877 10.1429 10.1429 10.5139 10.5139 k = 0.0000 0.5252 0.4243 ( 5904 PWs) bands (ev): -6.0779 -6.0779 -5.3754 -5.3754 -4.5660 -4.5660 -4.4606 -4.4606 -1.4424 -1.4424 -0.8472 -0.8472 -0.6160 -0.6160 -0.5957 -0.5957 -0.4250 -0.4250 -0.3872 -0.3872 -0.2970 -0.2970 -0.2427 -0.2427 -0.1831 -0.1831 -0.1381 -0.1381 0.0052 0.0052 0.9124 0.9124 1.8451 1.8451 2.0252 2.0252 2.2254 2.2254 2.5083 2.5083 3.4059 3.4059 3.6019 3.6019 4.1051 4.1051 4.6281 4.6281 4.9116 4.9116 5.5559 5.5559 8.8502 8.8502 9.0056 9.0056 9.0877 9.0877 10.1429 10.1429 10.5139 10.5139 k = 0.0089 0.5129 0.4395 ( 5908 PWs) bands (ev): -6.0771 -6.0771 -5.3751 -5.3750 -4.5670 -4.5670 -4.4610 -4.4609 -1.4420 -1.4413 -0.8482 -0.8463 -0.6166 -0.6153 -0.5959 -0.5954 -0.4280 -0.4225 -0.3876 -0.3869 -0.2972 -0.2967 -0.2439 -0.2415 -0.1834 -0.1829 -0.1400 -0.1364 0.0036 0.0052 0.9051 0.9088 1.8365 1.8424 2.0236 2.0247 2.2318 2.2330 2.5039 2.5087 3.4091 3.4099 3.6068 3.6080 4.1065 4.1109 4.6276 4.6322 4.9125 4.9126 5.5539 5.5564 8.8493 8.8502 8.9983 9.0007 9.0863 9.0877 10.1473 10.1492 10.5156 10.5162 k = 0.0179 0.5007 0.4547 ( 5912 PWs) bands (ev): -6.0747 -6.0746 -5.3742 -5.3741 -4.5699 -4.5698 -4.4621 -4.4620 -1.4400 -1.4386 -0.8494 -0.8455 -0.6171 -0.6146 -0.5959 -0.5948 -0.4313 -0.4203 -0.3880 -0.3865 -0.2974 -0.2963 -0.2450 -0.2402 -0.1839 -0.1829 -0.1419 -0.1348 0.0006 0.0037 0.8874 0.8945 1.8177 1.8286 2.0196 2.0214 2.2515 2.2543 2.4964 2.5059 3.4193 3.4210 3.6222 3.6247 4.1151 4.1239 4.6305 4.6398 4.9153 4.9154 5.5505 5.5554 8.8473 8.8493 8.9791 8.9840 9.0839 9.0867 10.1615 10.1649 10.5214 10.5226 k = 0.0268 0.4884 0.4698 ( 5904 PWs) bands (ev): -6.0707 -6.0706 -5.3727 -5.3725 -4.5746 -4.5744 -4.4639 -4.4637 -1.4365 -1.4343 -0.8508 -0.8449 -0.6174 -0.6138 -0.5957 -0.5940 -0.4349 -0.4186 -0.3883 -0.3861 -0.2973 -0.2958 -0.2461 -0.2389 -0.1844 -0.1829 -0.1439 -0.1333 -0.0039 0.0007 0.8605 0.8707 1.7899 1.8046 2.0113 2.0133 2.2830 2.2879 2.4882 2.5027 3.4363 3.4388 3.6466 3.6505 4.1305 4.1438 4.6368 4.6509 4.9202 4.9204 5.5455 5.5530 8.8442 8.8472 8.9498 8.9571 9.0811 9.0851 10.1831 10.1877 10.5307 10.5323 k = 0.0357 0.4762 0.4850 ( 5900 PWs) bands (ev): -6.0652 -6.0650 -5.3706 -5.3704 -4.5811 -4.5808 -4.4664 -4.4662 -1.4315 -1.4286 -0.8523 -0.8445 -0.6177 -0.6130 -0.5954 -0.5930 -0.4388 -0.4174 -0.3887 -0.3856 -0.2972 -0.2953 -0.2470 -0.2375 -0.1852 -0.1831 -0.1460 -0.1320 -0.0096 -0.0036 0.8261 0.8389 1.7544 1.7719 1.9965 1.9986 2.3244 2.3318 2.4828 2.5024 3.4594 3.4627 3.6782 3.6836 4.1523 4.1701 4.6464 4.6654 4.9275 4.9278 5.5391 5.5490 8.8392 8.8436 8.9132 8.9229 9.0784 9.0831 10.2088 10.2139 10.5408 10.5409 k = 0.0446 0.4639 0.5001 ( 5900 PWs) bands (ev): -6.0580 -6.0578 -5.3681 -5.3678 -4.5893 -4.5890 -4.4696 -4.4694 -1.4249 -1.4212 -0.8540 -0.8442 -0.6178 -0.6122 -0.5950 -0.5917 -0.4430 -0.4167 -0.3892 -0.3849 -0.2969 -0.2948 -0.2479 -0.2361 -0.1861 -0.1834 -0.1482 -0.1308 -0.0164 -0.0091 0.7859 0.8008 1.7124 1.7319 1.9735 1.9755 2.3730 2.3837 2.4837 2.5088 3.4884 3.4923 3.7144 3.7216 4.1801 4.2024 4.6590 4.6831 4.9377 4.9380 5.5310 5.5436 8.8298 8.8366 8.8745 8.8856 9.0759 9.0811 10.2353 10.2398 10.5101 10.5325 k = 0.0536 0.4517 0.5153 ( 5904 PWs) bands (ev): -6.0493 -6.0491 -5.3651 -5.3648 -4.5991 -4.5987 -4.4736 -4.4733 -1.4169 -1.4124 -0.8558 -0.8441 -0.6178 -0.6114 -0.5945 -0.5902 -0.4476 -0.4166 -0.3896 -0.3841 -0.2964 -0.2943 -0.2487 -0.2348 -0.1872 -0.1839 -0.1504 -0.1299 -0.0240 -0.0156 0.7415 0.7581 1.6650 1.6858 1.9413 1.9433 2.4262 2.4413 2.4935 2.5250 3.5227 3.5271 3.7531 3.7623 4.2130 4.2398 4.6743 4.7036 4.9514 4.9516 5.5214 5.5366 8.8053 8.8179 8.8467 8.8560 9.0737 9.0790 10.2587 10.2610 10.4380 10.4756 k = 0.0625 0.4394 0.5304 ( 5904 PWs) bands (ev): -6.0391 -6.0388 -5.3618 -5.3615 -4.6103 -4.6098 -4.4783 -4.4779 -1.4073 -1.4021 -0.8579 -0.8443 -0.6177 -0.6106 -0.5939 -0.5885 -0.4524 -0.4171 -0.3900 -0.3832 -0.2958 -0.2938 -0.2494 -0.2334 -0.1885 -0.1845 -0.1527 -0.1292 -0.0322 -0.0228 0.6945 0.7125 1.6132 1.6350 1.9004 1.9025 2.4805 2.4995 2.5159 2.5534 3.5622 3.5667 3.7922 3.8036 4.2503 4.2817 4.6921 4.7266 4.9691 4.9692 5.5102 5.5280 8.7639 8.7816 8.8339 8.8421 9.0719 9.0769 10.2697 10.2714 10.3626 10.4073 k = 0.0714 0.4272 0.5456 ( 5900 PWs) bands (ev): -6.0273 -6.0270 -5.3584 -5.3580 -4.6227 -4.6221 -4.4837 -4.4833 -1.3964 -1.3904 -0.8602 -0.8446 -0.6174 -0.6098 -0.5932 -0.5866 -0.4575 -0.4182 -0.3903 -0.3820 -0.2950 -0.2933 -0.2500 -0.2321 -0.1901 -0.1853 -0.1549 -0.1288 -0.0409 -0.0306 0.6462 0.6651 1.5581 1.5805 1.8520 1.8544 2.5323 2.5368 2.5707 2.5957 3.6066 3.6109 3.8298 3.8437 4.2911 4.3270 4.7120 4.7515 4.9910 4.9917 5.4974 5.5180 8.7187 8.7400 8.8244 8.8330 9.0704 9.0748 10.2339 10.2428 10.3282 10.3625 k = 0.0804 0.4149 0.5607 ( 5896 PWs) bands (ev): -6.0140 -6.0137 -5.3549 -5.3545 -4.6361 -4.6355 -4.4899 -4.4894 -1.3841 -1.3772 -0.8627 -0.8451 -0.6169 -0.6091 -0.5925 -0.5845 -0.4629 -0.4197 -0.3907 -0.3807 -0.2940 -0.2929 -0.2506 -0.2308 -0.1919 -0.1864 -0.1571 -0.1287 -0.0497 -0.0386 0.5976 0.6171 1.5006 1.5233 1.7979 1.8006 2.5734 2.5816 2.6353 2.6496 3.6558 3.6597 3.8644 3.8810 4.3344 4.3749 4.7337 4.7778 5.0177 5.0195 5.4830 5.5066 8.6744 8.6991 8.8150 8.8241 9.0689 9.0725 10.1489 10.1708 10.3339 10.3535 k = 0.0893 0.4027 0.5759 ( 5894 PWs) bands (ev): -5.9993 -5.9989 -5.3516 -5.3512 -4.6503 -4.6496 -4.4968 -4.4963 -1.3704 -1.3627 -0.8654 -0.8460 -0.6163 -0.6083 -0.5917 -0.5822 -0.4686 -0.4218 -0.3909 -0.3793 -0.2928 -0.2925 -0.2510 -0.2296 -0.1940 -0.1877 -0.1593 -0.1289 -0.0584 -0.0465 0.5497 0.5695 1.4415 1.4644 1.7397 1.7426 2.6164 2.6317 2.7001 2.7096 3.7096 3.7127 3.8951 3.9144 4.3794 4.4243 4.7571 4.8051 5.0492 5.0526 5.4673 5.4940 8.6328 8.6608 8.8049 8.8142 9.0671 9.0699 10.0546 10.0812 10.3429 10.3520 k = 0.0982 0.3905 0.5910 ( 5894 PWs) bands (ev): -5.9832 -5.9827 -5.3486 -5.3481 -4.6650 -4.6643 -4.5044 -4.5039 -1.3554 -1.3469 -0.8685 -0.8471 -0.6156 -0.6076 -0.5909 -0.5798 -0.4745 -0.4241 -0.3911 -0.3778 -0.2922 -0.2914 -0.2514 -0.2284 -0.1964 -0.1893 -0.1614 -0.1296 -0.0669 -0.0542 0.5030 0.5228 1.3818 1.4047 1.6788 1.6820 2.6650 2.6847 2.7638 2.7713 3.7675 3.7697 3.9210 3.9429 4.4250 4.4743 4.7821 4.8332 5.0853 5.0907 5.4505 5.4805 8.5948 8.6262 8.7938 8.8029 9.0646 9.0666 9.9579 9.9862 10.3181 10.3457 k = 0.1071 0.3782 0.6062 ( 5896 PWs) bands (ev): -5.9657 -5.9652 -5.3463 -5.3457 -4.6798 -4.6791 -4.5128 -4.5123 -1.3393 -1.3298 -0.8718 -0.8486 -0.6148 -0.6070 -0.5901 -0.5774 -0.4806 -0.4268 -0.3912 -0.3762 -0.2920 -0.2899 -0.2518 -0.2274 -0.1991 -0.1912 -0.1634 -0.1309 -0.0749 -0.0614 0.4582 0.4777 1.3221 1.3448 1.6164 1.6199 2.7183 2.7410 2.8257 2.8328 3.8291 3.8300 3.9420 3.9665 4.4705 4.5239 4.8085 4.8620 5.1253 5.1331 5.4330 5.4664 8.5610 8.5957 8.7815 8.7900 9.0609 9.0621 9.8607 9.8894 10.2462 10.2899 k = 0.1161 0.3660 0.6214 ( 5890 PWs) bands (ev): -5.9469 -5.9463 -5.3448 -5.3442 -4.6945 -4.6937 -4.5219 -4.5213 -1.3220 -1.3116 -0.8756 -0.8505 -0.6138 -0.6064 -0.5892 -0.5750 -0.4870 -0.4294 -0.3912 -0.3747 -0.2918 -0.2882 -0.2522 -0.2266 -0.2021 -0.1934 -0.1654 -0.1327 -0.0822 -0.0677 0.4157 0.4345 1.2632 1.2856 1.5535 1.5572 2.7755 2.8003 2.8852 2.8929 3.8921 3.8930 3.9583 3.9856 4.5151 4.5723 4.8365 4.8918 5.1683 5.1787 5.4152 5.4525 8.5319 8.5697 8.7678 8.7753 9.0552 9.0558 9.7638 9.7924 10.1726 10.2153 k = 0.1250 0.3537 0.6365 ( 5886 PWs) bands (ev): -5.9268 -5.9262 -5.3444 -5.3438 -4.7086 -4.7079 -4.5317 -4.5311 -1.3037 -1.2923 -0.8797 -0.8529 -0.6127 -0.6058 -0.5883 -0.5727 -0.4935 -0.4321 -0.3912 -0.3732 -0.2918 -0.2863 -0.2526 -0.2260 -0.2052 -0.1958 -0.1674 -0.1353 -0.0886 -0.0731 0.3758 0.3935 1.2059 1.2278 1.4908 1.4946 2.8356 2.8618 2.9420 2.9512 3.9512 3.9519 3.9761 4.0043 4.5584 4.6189 4.8660 4.9225 5.2132 5.2259 5.3978 5.4392 8.5074 8.5482 8.7525 8.7587 9.0468 9.0469 9.6681 9.6960 10.1039 10.1447 k = 0.1339 0.3415 0.6517 ( 5890 PWs) bands (ev): -5.9054 -5.9048 -5.3456 -5.3449 -4.7218 -4.7210 -4.5422 -4.5416 -1.2845 -1.2720 -0.8843 -0.8557 -0.6116 -0.6052 -0.5874 -0.5706 -0.5002 -0.4345 -0.3911 -0.3719 -0.2918 -0.2844 -0.2531 -0.2257 -0.2085 -0.1983 -0.1695 -0.1387 -0.0940 -0.0771 0.3386 0.3549 1.1507 1.1720 1.4289 1.4329 2.8979 2.9248 2.9962 3.0075 3.9695 3.9863 4.0305 4.0425 4.6004 4.6630 4.8969 4.9542 5.2586 5.2731 5.3815 5.4275 8.4876 8.5313 8.7355 8.7402 9.0348 9.0351 9.5741 9.6009 10.0426 10.0812 k = 0.1429 0.3292 0.6668 ( 5890 PWs) bands (ev): -5.8829 -5.8822 -5.3485 -5.3477 -4.7337 -4.7329 -4.5534 -4.5528 -1.2645 -1.2509 -0.8895 -0.8592 -0.6105 -0.6048 -0.5865 -0.5687 -0.5070 -0.4365 -0.3909 -0.3708 -0.2919 -0.2824 -0.2537 -0.2258 -0.2117 -0.2009 -0.1717 -0.1430 -0.0980 -0.0796 0.3044 0.3185 1.0983 1.1189 1.3684 1.3724 2.9615 2.9883 3.0478 3.0621 3.9721 3.9949 4.0930 4.1011 4.6416 4.7048 4.9292 4.9869 5.3031 5.3180 5.3673 5.4188 8.4724 8.5185 8.7167 8.7199 9.0187 9.0195 9.4822 9.5078 9.9911 10.0269 k = 0.1518 0.3170 0.6820 ( 5888 PWs) bands (ev): -5.8593 -5.8586 -5.3534 -5.3526 -4.7439 -4.7431 -4.5652 -4.5645 -1.2438 -1.2291 -0.8952 -0.8633 -0.6093 -0.6043 -0.5855 -0.5673 -0.5138 -0.4379 -0.3906 -0.3700 -0.2919 -0.2804 -0.2547 -0.2264 -0.2147 -0.2033 -0.1741 -0.1480 -0.1006 -0.0806 0.2729 0.2844 1.0495 1.0691 1.3096 1.3136 3.0255 3.0510 3.0972 3.1155 3.9705 3.9952 4.1507 4.1601 4.6835 4.7449 4.9625 5.0203 5.3441 5.3562 5.3570 5.4164 8.4615 8.5096 8.6963 8.6981 8.9983 8.9994 9.3929 9.4170 9.9509 9.9837 k = 0.1607 0.3047 0.6971 ( 5886 PWs) bands (ev): -5.8347 -5.8340 -5.3607 -5.3598 -4.7521 -4.7513 -4.5776 -4.5769 -1.2226 -1.2068 -0.9016 -0.8682 -0.6082 -0.6039 -0.5844 -0.5663 -0.5205 -0.4387 -0.3903 -0.3696 -0.2920 -0.2786 -0.2559 -0.2275 -0.2173 -0.2054 -0.1766 -0.1535 -0.1015 -0.0801 0.2440 0.2523 1.0048 1.0232 1.2530 1.2569 3.0885 3.1112 3.1450 3.1689 3.9660 3.9915 4.1995 4.2128 4.7281 4.7849 4.9966 5.0543 5.3458 5.3777 5.3855 5.4294 8.4546 8.5042 8.6748 8.6753 8.9736 8.9748 9.3066 9.3291 9.9229 9.9526 k = 0.1696 0.2925 0.7123 ( 5884 PWs) bands (ev): -5.8092 -5.8085 -5.3704 -5.3695 -4.7581 -4.7573 -4.5904 -4.5897 -1.2011 -1.1840 -0.9088 -0.8739 -0.6071 -0.6035 -0.5833 -0.5659 -0.5271 -0.4386 -0.3900 -0.3697 -0.2919 -0.2771 -0.2574 -0.2289 -0.2193 -0.2071 -0.1792 -0.1595 -0.1008 -0.0779 0.2174 0.2219 0.9647 0.9818 1.1989 1.2027 3.1485 3.1669 3.1927 3.2232 3.9597 3.9857 4.2358 4.2551 4.7775 4.8269 5.0311 5.0883 5.3405 5.3829 5.4194 5.4559 8.4513 8.5019 8.6524 8.6526 8.9449 8.9461 9.2239 9.2446 9.9075 9.9340 k = 0.1786 0.2802 0.7274 ( 5892 PWs) bands (ev): -5.7829 -5.7821 -5.3827 -5.3818 -4.7617 -4.7609 -4.6038 -4.6030 -1.1793 -1.1611 -0.9168 -0.8806 -0.6061 -0.6032 -0.5822 -0.5661 -0.5334 -0.4378 -0.3896 -0.3705 -0.2917 -0.2761 -0.2593 -0.2303 -0.2210 -0.2083 -0.1818 -0.1656 -0.0982 -0.0743 0.1929 0.1930 0.9300 0.9455 1.1476 1.1512 3.2023 3.2173 3.2422 3.2783 3.9527 3.9791 4.2573 4.2838 4.8332 4.8732 5.0654 5.1221 5.3377 5.3841 5.4475 5.4820 8.4513 8.5022 8.6302 8.6307 8.9134 8.9142 9.1453 9.1639 9.9042 9.9277 k = 0.1875 0.2680 0.7426 ( 5894 PWs) bands (ev): -5.7559 -5.7550 -5.3976 -5.3966 -4.7628 -4.7620 -4.6174 -4.6167 -1.1575 -1.1382 -0.9257 -0.8883 -0.6052 -0.6029 -0.5812 -0.5667 -0.5393 -0.4361 -0.3893 -0.3718 -0.2913 -0.2756 -0.2615 -0.2312 -0.2226 -0.2088 -0.1844 -0.1716 -0.0938 -0.0692 0.1653 0.1700 0.9009 0.9148 1.0995 1.1027 3.2482 3.2629 3.2941 3.3322 3.9465 3.9734 4.2639 4.2973 4.8950 4.9249 5.0991 5.1552 5.3371 5.3852 5.4685 5.5021 8.4542 8.5046 8.6097 8.6100 8.8804 8.8805 9.0712 9.0876 9.9119 9.9326 k = 0.1964 0.2558 0.7578 ( 5894 PWs) bands (ev): -5.7282 -5.7273 -5.4150 -5.4140 -4.7615 -4.7607 -4.6314 -4.6306 -1.1359 -1.1155 -0.9355 -0.8971 -0.6043 -0.6025 -0.5802 -0.5677 -0.5447 -0.4337 -0.3891 -0.3739 -0.2905 -0.2756 -0.2639 -0.2314 -0.2241 -0.2087 -0.1868 -0.1773 -0.0875 -0.0627 0.1386 0.1486 0.8779 0.8900 1.0547 1.0575 3.2881 3.3045 3.3449 3.3823 3.9426 3.9703 4.2566 4.2959 4.9614 4.9817 5.1316 5.1871 5.3377 5.3865 5.4816 5.5144 8.4596 8.5088 8.5913 8.5922 8.8465 8.8474 9.0023 9.0164 9.9290 9.9475 k = 0.2054 0.2435 0.7729 ( 5900 PWs) bands (ev): -5.7001 -5.6992 -5.4346 -5.4336 -4.7579 -4.7571 -4.6455 -4.6447 -1.1145 -1.0933 -0.9464 -0.9069 -0.6035 -0.6022 -0.5796 -0.5690 -0.5494 -0.4307 -0.3889 -0.3765 -0.2894 -0.2761 -0.2665 -0.2308 -0.2255 -0.2081 -0.1892 -0.1827 -0.0792 -0.0550 0.1126 0.1284 0.8612 0.8714 1.0136 1.0160 3.3236 3.3429 3.3906 3.4255 3.9430 3.9721 4.2379 4.2814 5.0299 5.0417 5.1623 5.2174 5.3387 5.3876 5.4860 5.5177 8.4670 8.5144 8.5755 8.5783 8.8140 8.8160 8.9392 8.9509 9.9539 9.9705 k = 0.2143 0.2313 0.7881 ( 5902 PWs) bands (ev): -5.6717 -5.6707 -5.4563 -5.4553 -4.7522 -4.7514 -4.6596 -4.6588 -1.0937 -1.0720 -0.9583 -0.9178 -0.6027 -0.6018 -0.5792 -0.5705 -0.5532 -0.4274 -0.3887 -0.3795 -0.2879 -0.2768 -0.2691 -0.2297 -0.2267 -0.2071 -0.1914 -0.1876 -0.0689 -0.0462 0.0875 0.1095 0.8508 0.8592 0.9764 0.9783 3.3554 3.3782 3.4284 3.4593 3.9497 3.9806 4.2102 4.2565 5.0973 5.1023 5.1906 5.2460 5.3395 5.3881 5.4815 5.5116 8.4761 8.5209 8.5629 8.5688 8.7848 8.7879 8.8829 8.8922 9.9849 10.0000 k = 0.2232 0.2190 0.8032 ( 5900 PWs) bands (ev): -5.6431 -5.6421 -5.4799 -5.4788 -4.7446 -4.7438 -4.6736 -4.6728 -1.0734 -1.0519 -0.9714 -0.9295 -0.6020 -0.6015 -0.5792 -0.5718 -0.5560 -0.4240 -0.3886 -0.3826 -0.2861 -0.2776 -0.2717 -0.2289 -0.2271 -0.2057 -0.1936 -0.1918 -0.0565 -0.0368 0.0634 0.0923 0.8468 0.8535 0.9436 0.9448 3.3830 3.4103 3.4562 3.4817 3.9642 3.9975 4.1761 4.2241 5.1597 5.1598 5.2157 5.2731 5.3405 5.3881 5.4682 5.4962 8.4862 8.5278 8.5535 8.5635 8.7610 8.7649 8.8341 8.8413 10.0200 10.0340 k = 0.2321 0.2068 0.8184 ( 5902 PWs) bands (ev): -5.6146 -5.6136 -5.5049 -5.5038 -4.7354 -4.7346 -4.6873 -4.6865 -1.0540 -1.0339 -0.9856 -0.9413 -0.6015 -0.6012 -0.5795 -0.5729 -0.5578 -0.4210 -0.3886 -0.3855 -0.2841 -0.2782 -0.2743 -0.2294 -0.2258 -0.2041 -0.1956 -0.1952 -0.0423 -0.0276 0.0407 0.0775 0.8490 0.8540 0.9153 0.9157 3.4054 3.4385 3.4737 3.4920 3.9871 4.0223 4.1380 4.1872 5.2091 5.2112 5.2368 5.3001 5.3437 5.3883 5.4472 5.4722 8.4962 8.5340 8.5467 8.5618 8.7451 8.7492 8.7941 8.7995 10.0576 10.0707 k = 0.2411 0.1945 0.8335 ( 5908 PWs) bands (ev): -5.5862 -5.5852 -5.5311 -5.5301 -4.7248 -4.7240 -4.7005 -4.6998 -1.0356 -1.0199 -1.0008 -0.9516 -0.6011 -0.6010 -0.5798 -0.5737 -0.5589 -0.4187 -0.3885 -0.3877 -0.2819 -0.2787 -0.2769 -0.2300 -0.2246 -0.2026 -0.1975 -0.1974 -0.0272 -0.0204 0.0203 0.0668 0.8568 0.8606 0.8917 0.8921 3.4206 3.4620 3.4822 3.4914 4.0167 4.0520 4.0990 4.1501 5.2423 5.2441 5.2517 5.3270 5.3537 5.3922 5.4214 5.4422 8.5044 8.5385 8.5421 8.5620 8.7392 8.7432 8.7643 8.7683 10.0956 10.1084 k = 0.2500 0.1823 0.8487 ( 5904 PWs) bands (ev): -5.5589 -5.5578 -5.5578 -5.5569 -4.7136 -4.7127 -4.7127 -4.7120 -1.0213 -1.0141 -1.0141 -0.9561 -0.6009 -0.6009 -0.5800 -0.5739 -0.5592 -0.4179 -0.3885 -0.3885 -0.2801 -0.2788 -0.2788 -0.2301 -0.2241 -0.2017 -0.1983 -0.1983 -0.0175 -0.0174 0.0088 0.0627 0.8663 0.8703 0.8768 0.8768 3.4262 3.4764 3.4845 3.4845 4.0411 4.0715 4.0715 4.1282 5.2548 5.2548 5.2559 5.3404 5.3652 5.4041 5.4041 5.4176 8.5078 8.5402 8.5402 8.5623 8.7433 8.7480 8.7480 8.7506 10.1265 10.1415 k = 0.2500 0.1823 0.8487 ( 5904 PWs) bands (ev): -5.5589 -5.5578 -5.5578 -5.5569 -4.7136 -4.7127 -4.7127 -4.7120 -1.0213 -1.0141 -1.0141 -0.9561 -0.6009 -0.6009 -0.5800 -0.5739 -0.5592 -0.4179 -0.3885 -0.3885 -0.2801 -0.2788 -0.2788 -0.2301 -0.2241 -0.2017 -0.1983 -0.1983 -0.0175 -0.0174 0.0088 0.0627 0.8663 0.8703 0.8768 0.8768 3.4262 3.4764 3.4845 3.4845 4.0411 4.0715 4.0715 4.1282 5.2548 5.2548 5.2559 5.3404 5.3652 5.4041 5.4041 5.4176 8.5078 8.5402 8.5402 8.5623 8.7433 8.7480 8.7480 8.7506 10.1265 10.1415 k = 0.2639 0.1924 0.8361 ( 5908 PWs) bands (ev): -5.5738 -5.5728 -5.5431 -5.5421 -4.7199 -4.7192 -4.7060 -4.7052 -1.0278 -1.0174 -1.0068 -0.9548 -0.6022 -0.5997 -0.5806 -0.5730 -0.5591 -0.4183 -0.3893 -0.3880 -0.2809 -0.2797 -0.2770 -0.2301 -0.2242 -0.2019 -0.1992 -0.1968 -0.0234 -0.0192 0.0127 0.0630 0.8653 0.8700 0.8829 0.8872 3.4171 3.4644 3.4695 3.4785 4.0324 4.0696 4.0949 4.1469 5.2466 5.2517 5.2587 5.3297 5.3712 5.3941 5.4177 5.4282 8.4855 8.5195 8.5241 8.5481 8.7607 8.7628 8.7648 8.7696 10.1109 10.1254 k = 0.2778 0.2025 0.8236 ( 5912 PWs) bands (ev): -5.5878 -5.5869 -5.5297 -5.5288 -4.7260 -4.7253 -4.6990 -4.6983 -1.0365 -1.0236 -0.9983 -0.9519 -0.6034 -0.5986 -0.5816 -0.5709 -0.5587 -0.4196 -0.3901 -0.3877 -0.2822 -0.2804 -0.2745 -0.2301 -0.2244 -0.2025 -0.1993 -0.1946 -0.0361 -0.0257 0.0208 0.0643 0.8710 0.8776 0.8969 0.9034 3.3916 3.4328 3.4366 3.4527 4.0213 4.0618 4.1490 4.1952 5.2338 5.2418 5.2586 5.3111 5.3863 5.3904 5.4365 5.4436 8.4212 8.4526 8.5009 8.5253 8.7951 8.8034 8.8112 8.8118 10.0907 10.1061 k = 0.2917 0.2127 0.8111 ( 5892 PWs) bands (ev): -5.6004 -5.5996 -5.5182 -5.5174 -4.7314 -4.7307 -4.6924 -4.6918 -1.0447 -1.0311 -0.9909 -0.9485 -0.6045 -0.5979 -0.5823 -0.5683 -0.5579 -0.4219 -0.3908 -0.3875 -0.2837 -0.2810 -0.2715 -0.2299 -0.2249 -0.2032 -0.1986 -0.1919 -0.0509 -0.0362 0.0295 0.0671 0.8853 0.8936 0.9154 0.9237 3.3497 3.3829 3.3942 3.4165 4.0171 4.0566 4.2134 4.2550 5.2180 5.2274 5.2562 5.2944 5.3957 5.4045 5.4558 5.4596 8.3374 8.3670 8.4734 8.4968 8.8381 8.8493 8.8683 8.8725 10.0716 10.0880 k = 0.3056 0.2228 0.7985 ( 5894 PWs) bands (ev): -5.6115 -5.6107 -5.5086 -5.5078 -4.7361 -4.7354 -4.6865 -4.6859 -1.0523 -1.0391 -0.9846 -0.9454 -0.6055 -0.5978 -0.5822 -0.5652 -0.5569 -0.4256 -0.3912 -0.3873 -0.2852 -0.2815 -0.2682 -0.2296 -0.2258 -0.2040 -0.1972 -0.1888 -0.0659 -0.0492 0.0379 0.0706 0.9070 0.9164 0.9382 0.9479 3.2943 3.3220 3.3471 3.3713 4.0204 4.0566 4.2777 4.3154 5.2007 5.2105 5.2526 5.2807 5.4077 5.4233 5.4762 5.4766 8.2458 8.2739 8.4431 8.4655 8.8862 8.9000 8.9305 8.9386 10.0539 10.0713 k = 0.3194 0.2329 0.7860 ( 5896 PWs) bands (ev): -5.6210 -5.6202 -5.5009 -5.5001 -4.7400 -4.7394 -4.6815 -4.6810 -1.0589 -1.0467 -0.9794 -0.9429 -0.6064 -0.5984 -0.5815 -0.5616 -0.5555 -0.4303 -0.3912 -0.3870 -0.2867 -0.2819 -0.2645 -0.2291 -0.2268 -0.2050 -0.1951 -0.1853 -0.0799 -0.0633 0.0455 0.0742 0.9344 0.9446 0.9649 0.9756 3.2312 3.2559 3.2959 3.3188 4.0298 4.0614 4.3353 4.3698 5.1835 5.1930 5.2483 5.2692 5.4228 5.4395 5.4956 5.5019 8.1517 8.1783 8.4117 8.4334 8.9371 8.9536 8.9954 9.0072 10.0373 10.0556 k = 0.3333 0.2430 0.7735 ( 5897 PWs) bands (ev): -5.6288 -5.6282 -5.4949 -5.4942 -4.7432 -4.7426 -4.6777 -4.6772 -1.0643 -1.0535 -0.9754 -0.9413 -0.6073 -0.5994 -0.5803 -0.5575 -0.5539 -0.4360 -0.3908 -0.3864 -0.2880 -0.2824 -0.2605 -0.2285 -0.2278 -0.2060 -0.1923 -0.1812 -0.0921 -0.0771 0.0523 0.0775 0.9660 0.9766 0.9953 1.0067 3.1651 3.1880 3.2410 3.2613 4.0436 4.0699 4.3820 4.4142 5.1672 5.1759 5.2437 5.2593 5.4364 5.4506 5.5210 5.5338 8.0592 8.0839 8.3801 8.4013 8.9900 9.0091 9.0621 9.0771 10.0214 10.0409 k = 0.3472 0.2532 0.7610 ( 5893 PWs) bands (ev): -5.6350 -5.6344 -5.4909 -5.4902 -4.7456 -4.7451 -4.6751 -4.6747 -1.0682 -1.0590 -0.9724 -0.9405 -0.6082 -0.6008 -0.5788 -0.5527 -0.5521 -0.4423 -0.3899 -0.3853 -0.2891 -0.2827 -0.2563 -0.2285 -0.2276 -0.2072 -0.1891 -0.1765 -0.1022 -0.0898 0.0581 0.0803 1.0005 1.0111 1.0288 1.0406 3.0987 3.1204 3.1837 3.2009 4.0601 4.0808 4.4157 4.4464 5.1525 5.1600 5.2391 5.2506 5.4448 5.4562 5.5539 5.5712 7.9718 7.9940 8.3489 8.3698 9.0443 9.0659 9.1300 9.1481 10.0060 10.0265 k = 0.3611 0.2633 0.7484 ( 5888 PWs) bands (ev): -5.6395 -5.6390 -5.4887 -5.4881 -4.7472 -4.7467 -4.6740 -4.6736 -1.0704 -1.0630 -0.9704 -0.9406 -0.6090 -0.6023 -0.5774 -0.5504 -0.5472 -0.4488 -0.3886 -0.3839 -0.2899 -0.2830 -0.2520 -0.2288 -0.2267 -0.2084 -0.1855 -0.1714 -0.1098 -0.1005 0.0629 0.0823 1.0366 1.0471 1.0647 1.0766 3.0340 3.0548 3.1257 3.1396 4.0778 4.0928 4.4358 4.4655 5.1398 5.1457 5.2348 5.2432 5.4476 5.4571 5.5919 5.6107 7.8930 7.9123 8.3183 8.3391 9.0997 9.1235 9.1986 9.2195 9.9904 10.0121 k = 0.3750 0.2734 0.7359 ( 5872 PWs) bands (ev): -5.6423 -5.6418 -5.4884 -5.4879 -4.7480 -4.7476 -4.6743 -4.6739 -1.0708 -1.0653 -0.9693 -0.9417 -0.6097 -0.6039 -0.5760 -0.5489 -0.5410 -0.4550 -0.3869 -0.3820 -0.2904 -0.2832 -0.2482 -0.2282 -0.2259 -0.2096 -0.1817 -0.1661 -0.1145 -0.1085 0.0668 0.0834 1.0732 1.0835 1.1023 1.1139 2.9724 2.9926 3.0685 3.0793 4.0955 4.1048 4.4426 4.4720 5.1294 5.1334 5.2310 5.2371 5.4453 5.4539 5.6301 5.6479 7.8266 7.8422 8.2886 8.3093 9.1558 9.1817 9.2677 9.2911 9.9741 9.9972 k = 0.3889 0.2835 0.7234 ( 5870 PWs) bands (ev): -5.6432 -5.6428 -5.4901 -5.4896 -4.7481 -4.7476 -4.6761 -4.6758 -1.0694 -1.0657 -0.9692 -0.9436 -0.6104 -0.6054 -0.5747 -0.5480 -0.5342 -0.4605 -0.3847 -0.3797 -0.2906 -0.2833 -0.2454 -0.2262 -0.2255 -0.2104 -0.1779 -0.1615 -0.1158 -0.1125 0.0699 0.0838 1.1095 1.1194 1.1404 1.1513 2.9154 2.9349 3.0136 3.0213 4.1122 4.1157 4.4373 4.4668 5.1213 5.1234 5.2282 5.2323 5.4389 5.4472 5.6631 5.6780 7.7765 7.7877 8.2599 8.2806 9.2123 9.2399 9.3367 9.3623 9.9565 9.9813 k = 0.4028 0.2937 0.7108 ( 5871 PWs) bands (ev): -5.6424 -5.6420 -5.4938 -5.4933 -4.7473 -4.7469 -4.6792 -4.6789 -1.0661 -1.0643 -0.9700 -0.9464 -0.6110 -0.6069 -0.5735 -0.5478 -0.5271 -0.4651 -0.3821 -0.3770 -0.2903 -0.2832 -0.2438 -0.2259 -0.2229 -0.2105 -0.1748 -0.1590 -0.1127 -0.1105 0.0721 0.0835 1.1446 1.1540 1.1777 1.1877 2.8640 2.8829 2.9623 2.9670 4.1250 4.1272 4.4215 4.4514 5.1158 5.1161 5.2264 5.2289 5.4291 5.4375 5.6856 5.6964 7.7460 7.7522 8.2323 8.2530 9.2689 9.2979 9.4049 9.4323 9.9371 9.9639 k = 0.4167 0.3038 0.6983 ( 5879 PWs) bands (ev): -5.6398 -5.6395 -5.4996 -5.4992 -4.7457 -4.7453 -4.6835 -4.6833 -1.0611 -1.0610 -0.9717 -0.9501 -0.6115 -0.6082 -0.5724 -0.5486 -0.5196 -0.4686 -0.3792 -0.3742 -0.2898 -0.2830 -0.2432 -0.2272 -0.2187 -0.2098 -0.1727 -0.1591 -0.1046 -0.1018 0.0737 0.0824 1.1778 1.1865 1.2132 1.2220 2.8195 2.8377 2.9158 2.9176 4.1319 4.1398 4.3965 4.4270 5.1114 5.1129 5.2256 5.2268 5.4168 5.4255 5.6934 5.6993 7.7377 7.7385 8.2058 8.2266 9.3251 9.3549 9.4715 9.4999 9.9151 9.9448 k = 0.4306 0.3139 0.6858 ( 5878 PWs) bands (ev): -5.6353 -5.6350 -5.5077 -5.5073 -4.7432 -4.7429 -4.6888 -4.6886 -1.0563 -1.0545 -0.9742 -0.9546 -0.6119 -0.6094 -0.5713 -0.5502 -0.5120 -0.4712 -0.3761 -0.3714 -0.2888 -0.2826 -0.2431 -0.2293 -0.2143 -0.2084 -0.1716 -0.1608 -0.0909 -0.0868 0.0745 0.0807 1.2082 1.2159 1.2457 1.2531 2.7828 2.8001 2.8742 2.8752 4.1361 4.1495 4.3637 4.3950 5.1095 5.1125 5.2251 5.2253 5.4031 5.4125 5.6838 5.6848 7.7480 7.7525 8.1806 8.2015 9.3804 9.4105 9.5349 9.5631 9.8905 9.9240 k = 0.4444 0.3241 0.6732 ( 5884 PWs) bands (ev): -5.6290 -5.6288 -5.5181 -5.5178 -4.7400 -4.7398 -4.6948 -4.6947 -1.0501 -1.0467 -0.9773 -0.9599 -0.6122 -0.6103 -0.5702 -0.5526 -0.5045 -0.4729 -0.3728 -0.3688 -0.2875 -0.2821 -0.2432 -0.2320 -0.2102 -0.2066 -0.1712 -0.1631 -0.0717 -0.0666 0.0747 0.0785 1.2351 1.2417 1.2743 1.2802 2.7547 2.7709 2.8377 2.8411 4.1376 4.1562 4.3244 4.3566 5.1103 5.1145 5.2226 5.2242 5.3899 5.4003 5.6527 5.6563 7.7802 7.7896 8.1567 8.1777 9.4341 9.4637 9.5927 9.6186 9.8640 9.9031 k = 0.4583 0.3342 0.6607 ( 5885 PWs) bands (ev): -5.6208 -5.6206 -5.5309 -5.5307 -4.7360 -4.7358 -4.7011 -4.7011 -1.0429 -1.0382 -0.9810 -0.9660 -0.6124 -0.6111 -0.5691 -0.5556 -0.4971 -0.4741 -0.3696 -0.3664 -0.2858 -0.2814 -0.2434 -0.2349 -0.2064 -0.2045 -0.1711 -0.1654 -0.0472 -0.0416 0.0745 0.0759 1.2579 1.2631 1.2981 1.3024 2.7359 2.7505 2.8091 2.8144 4.1361 4.1596 4.2796 4.3125 5.1131 5.1182 5.2175 5.2204 5.3797 5.3910 5.6050 5.6123 7.8328 7.8464 8.1342 8.1553 9.4854 9.5137 9.6390 9.6596 9.8397 9.8870 k = 0.4722 0.3443 0.6482 ( 5885 PWs) bands (ev): -5.6107 -5.6106 -5.5463 -5.5461 -4.7311 -4.7310 -4.7075 -4.7075 -1.0351 -1.0299 -0.9845 -0.9725 -0.6124 -0.6117 -0.5680 -0.5589 -0.4899 -0.4750 -0.3667 -0.3644 -0.2838 -0.2806 -0.2436 -0.2380 -0.2032 -0.2024 -0.1710 -0.1674 -0.0181 -0.0125 0.0733 0.0741 1.2763 1.2800 1.3167 1.3195 2.7265 2.7385 2.7893 2.7954 4.1321 4.1596 4.2304 4.2638 5.1170 5.1223 5.2083 5.2119 5.3749 5.3869 5.5454 5.5553 7.9024 7.9194 8.1132 8.1344 9.5329 9.5587 9.6611 9.6754 9.8295 9.8848 k = 0.4861 0.3544 0.6356 ( 5879 PWs) bands (ev): -5.5988 -5.5988 -5.5643 -5.5642 -4.7255 -4.7254 -4.7136 -4.7135 -1.0276 -1.0236 -0.9865 -0.9791 -0.6124 -0.6121 -0.5668 -0.5623 -0.4832 -0.4759 -0.3640 -0.3629 -0.2815 -0.2798 -0.2438 -0.2410 -0.2005 -0.2003 -0.1709 -0.1691 0.0143 0.0189 0.0723 0.0744 1.2903 1.2922 1.3301 1.3314 2.7260 2.7334 2.7796 2.7843 4.1256 4.1548 4.1794 4.2112 5.1192 5.1232 5.1959 5.1988 5.3757 5.3864 5.4810 5.4911 7.9846 8.0040 8.0940 8.1152 9.5743 9.5959 9.6469 9.6601 9.8451 9.8990 k = 0.5000 0.3646 0.6231 ( 5890 PWs) bands (ev): -5.5857 -5.5857 -5.5844 -5.5844 -4.7197 -4.7197 -4.7185 -4.7185 -1.0220 -1.0220 -0.9843 -0.9843 -0.6122 -0.6122 -0.5656 -0.5656 -0.4769 -0.4769 -0.3618 -0.3618 -0.2790 -0.2790 -0.2440 -0.2440 -0.1983 -0.1983 -0.1705 -0.1705 0.0437 0.0437 0.0812 0.0812 1.3003 1.3003 1.3386 1.3386 2.7328 2.7328 2.7817 2.7817 4.1165 4.1165 4.1561 4.1561 5.1136 5.1136 5.1849 5.1849 5.3704 5.3704 5.4367 5.4367 8.0734 8.0734 8.0992 8.0992 9.6034 9.6034 9.6227 9.6227 9.8769 9.8769 k = 0.5000 0.3646 0.6231 ( 5890 PWs) bands (ev): -5.5857 -5.5857 -5.5844 -5.5844 -4.7197 -4.7197 -4.7185 -4.7185 -1.0220 -1.0220 -0.9843 -0.9843 -0.6122 -0.6122 -0.5656 -0.5656 -0.4769 -0.4769 -0.3618 -0.3618 -0.2790 -0.2790 -0.2440 -0.2440 -0.1983 -0.1983 -0.1705 -0.1705 0.0437 0.0437 0.0812 0.0812 1.3003 1.3003 1.3386 1.3386 2.7328 2.7328 2.7817 2.7817 4.1165 4.1165 4.1561 4.1561 5.1136 5.1136 5.1849 5.1849 5.3704 5.3704 5.4367 5.4367 8.0734 8.0734 8.0992 8.0992 9.6034 9.6034 9.6227 9.6227 9.8769 9.8769 k = 0.5000 0.3646 0.6023 ( 5888 PWs) bands (ev): -5.5923 -5.5923 -5.5910 -5.5910 -4.7177 -4.7177 -4.7165 -4.7165 -1.0205 -1.0205 -0.9835 -0.9835 -0.6120 -0.6120 -0.5673 -0.5673 -0.4728 -0.4728 -0.3600 -0.3600 -0.2759 -0.2759 -0.2463 -0.2463 -0.1954 -0.1954 -0.1711 -0.1711 0.0743 0.0743 0.1117 0.1117 1.3135 1.3135 1.3491 1.3491 2.7415 2.7415 2.7903 2.7903 4.0609 4.0609 4.1034 4.1034 5.0877 5.0877 5.1657 5.1657 5.3222 5.3222 5.3955 5.3955 8.1373 8.1373 8.1640 8.1640 9.5631 9.5631 9.5844 9.5844 9.8754 9.8754 k = 0.5000 0.3646 0.5816 ( 5890 PWs) bands (ev): -5.5999 -5.5999 -5.5986 -5.5986 -4.7144 -4.7144 -4.7132 -4.7132 -1.0192 -1.0192 -0.9829 -0.9829 -0.6116 -0.6116 -0.5688 -0.5688 -0.4690 -0.4690 -0.3588 -0.3588 -0.2727 -0.2727 -0.2485 -0.2485 -0.1930 -0.1930 -0.1714 -0.1714 0.1048 0.1048 0.1424 0.1424 1.3293 1.3293 1.3618 1.3618 2.7505 2.7505 2.7990 2.7990 4.0063 4.0063 4.0515 4.0515 5.0591 5.0591 5.1434 5.1434 5.2777 5.2777 5.3572 5.3572 8.2016 8.2016 8.2290 8.2290 9.5028 9.5028 9.5253 9.5253 9.8710 9.8710 k = 0.5000 0.3646 0.5608 ( 5882 PWs) bands (ev): -5.6086 -5.6086 -5.6073 -5.6073 -4.7096 -4.7096 -4.7085 -4.7085 -1.0182 -1.0182 -0.9825 -0.9825 -0.6110 -0.6110 -0.5703 -0.5703 -0.4656 -0.4656 -0.3583 -0.3583 -0.2695 -0.2695 -0.2504 -0.2504 -0.1911 -0.1911 -0.1713 -0.1713 0.1344 0.1344 0.1723 0.1723 1.3481 1.3481 1.3773 1.3773 2.7596 2.7596 2.8078 2.8078 3.9536 3.9536 4.0010 4.0010 5.0280 5.0280 5.1170 5.1170 5.2386 5.2386 5.3221 5.3221 8.2648 8.2648 8.2927 8.2927 9.4332 9.4332 9.4554 9.4554 9.8548 9.8548 k = 0.5000 0.3646 0.5400 ( 5880 PWs) bands (ev): -5.6183 -5.6183 -5.6171 -5.6171 -4.7033 -4.7033 -4.7022 -4.7022 -1.0176 -1.0176 -0.9824 -0.9824 -0.6103 -0.6103 -0.5716 -0.5716 -0.4626 -0.4626 -0.3583 -0.3583 -0.2665 -0.2665 -0.2519 -0.2519 -0.1899 -0.1899 -0.1708 -0.1708 0.1621 0.1621 0.2005 0.2005 1.3705 1.3705 1.3959 1.3959 2.7686 2.7686 2.8165 2.8165 3.9036 3.9036 3.9530 3.9530 4.9950 4.9950 5.0858 5.0858 5.2061 5.2061 5.2905 5.2905 8.3251 8.3251 8.3529 8.3529 9.3603 9.3603 9.3808 9.3808 9.8243 9.8243 k = 0.5000 0.3646 0.5192 ( 5876 PWs) bands (ev): -5.6289 -5.6289 -5.6278 -5.6278 -4.6954 -4.6954 -4.6942 -4.6942 -1.0173 -1.0173 -0.9827 -0.9827 -0.6095 -0.6095 -0.5727 -0.5727 -0.4601 -0.4601 -0.3586 -0.3586 -0.2641 -0.2641 -0.2529 -0.2529 -0.1892 -0.1892 -0.1700 -0.1700 0.1870 0.1870 0.2261 0.2261 1.3968 1.3968 1.4183 1.4183 2.7775 2.7775 2.8250 2.8250 3.8572 3.8572 3.9082 3.9082 4.9604 4.9604 5.0504 5.0504 5.1799 5.1799 5.2622 5.2622 8.3800 8.3800 8.4073 8.4073 9.2883 9.2883 9.3061 9.3061 9.7802 9.7802 k = 0.5000 0.3646 0.4985 ( 5882 PWs) bands (ev): -5.6406 -5.6406 -5.6394 -5.6394 -4.6859 -4.6859 -4.6847 -4.6847 -1.0173 -1.0173 -0.9832 -0.9832 -0.6085 -0.6085 -0.5736 -0.5736 -0.4581 -0.4581 -0.3593 -0.3593 -0.2627 -0.2627 -0.2528 -0.2528 -0.1890 -0.1890 -0.1688 -0.1688 0.2084 0.2084 0.2482 0.2482 1.4274 1.4274 1.4450 1.4450 2.7860 2.7860 2.8330 2.8330 3.8150 3.8150 3.8671 3.8671 4.9248 4.9248 5.0124 5.0124 5.1588 5.1588 5.2372 5.2372 8.4262 8.4262 8.4523 8.4523 9.2212 9.2212 9.2349 9.2349 9.7249 9.7249 k = 0.5000 0.3646 0.4777 ( 5874 PWs) bands (ev): -5.6530 -5.6530 -5.6519 -5.6519 -4.6747 -4.6747 -4.6736 -4.6736 -1.0177 -1.0177 -0.9841 -0.9841 -0.6074 -0.6074 -0.5743 -0.5743 -0.4565 -0.4565 -0.3602 -0.3602 -0.2626 -0.2626 -0.2514 -0.2514 -0.1892 -0.1892 -0.1674 -0.1674 0.2253 0.2253 0.2661 0.2661 1.4623 1.4623 1.4764 1.4764 2.7942 2.7942 2.8406 2.8406 3.7775 3.7775 3.8304 3.8304 4.8889 4.8889 4.9735 4.9735 5.1414 5.1414 5.2152 5.2152 8.4597 8.4597 8.4839 8.4839 9.1623 9.1623 9.1715 9.1715 9.6613 9.6613 k = 0.5000 0.3646 0.4569 ( 5866 PWs) bands (ev): -5.6662 -5.6662 -5.6652 -5.6652 -4.6620 -4.6620 -4.6609 -4.6609 -1.0184 -1.0184 -0.9853 -0.9853 -0.6062 -0.6062 -0.5748 -0.5748 -0.4555 -0.4555 -0.3613 -0.3613 -0.2635 -0.2635 -0.2491 -0.2491 -0.1895 -0.1895 -0.1659 -0.1659 0.2375 0.2375 0.2793 0.2793 1.5014 1.5014 1.5130 1.5130 2.8018 2.8018 2.8476 2.8476 3.7454 3.7454 3.7985 3.7985 4.8532 4.8532 4.9350 4.9350 5.1268 5.1268 5.1960 5.1960 8.4758 8.4758 8.4981 8.4981 9.1131 9.1131 9.1216 9.1216 9.5928 9.5928 k = 0.5000 0.3646 0.4362 ( 5866 PWs) bands (ev): -5.6800 -5.6800 -5.6790 -5.6790 -4.6479 -4.6479 -4.6468 -4.6468 -1.0195 -1.0195 -0.9869 -0.9869 -0.6049 -0.6049 -0.5751 -0.5751 -0.4550 -0.4550 -0.3627 -0.3627 -0.2649 -0.2649 -0.2464 -0.2464 -0.1901 -0.1901 -0.1643 -0.1643 0.2445 0.2445 0.2874 0.2874 1.5440 1.5440 1.5553 1.5553 2.8087 2.8087 2.8540 2.8540 3.7188 3.7188 3.7717 3.7717 4.8181 4.8181 4.8974 4.8974 5.1146 5.1146 5.1793 5.1793 8.4707 8.4707 8.4920 8.4920 9.0735 9.0735 9.0880 9.0880 9.5229 9.5229 k = 0.5000 0.3646 0.4154 ( 5862 PWs) bands (ev): -5.6942 -5.6942 -5.6933 -5.6933 -4.6324 -4.6324 -4.6314 -4.6314 -1.0210 -1.0210 -0.9888 -0.9888 -0.6035 -0.6035 -0.5752 -0.5752 -0.4550 -0.4550 -0.3642 -0.3642 -0.2664 -0.2664 -0.2437 -0.2437 -0.1907 -0.1907 -0.1627 -0.1627 0.2463 0.2463 0.2903 0.2903 1.5899 1.5899 1.6031 1.6031 2.8150 2.8150 2.8597 2.8597 3.6979 3.6979 3.7502 3.7502 4.7840 4.7840 4.8613 4.8613 5.1045 5.1045 5.1652 5.1652 8.4444 8.4444 8.4660 8.4660 9.0436 9.0436 9.0654 9.0654 9.4558 9.4558 k = 0.5000 0.3646 0.3946 ( 5866 PWs) bands (ev): -5.7088 -5.7088 -5.7080 -5.7080 -4.6157 -4.6157 -4.6147 -4.6147 -1.0227 -1.0227 -0.9911 -0.9911 -0.6019 -0.6019 -0.5751 -0.5751 -0.4555 -0.4555 -0.3660 -0.3660 -0.2681 -0.2681 -0.2410 -0.2410 -0.1913 -0.1913 -0.1611 -0.1611 0.2432 0.2432 0.2881 0.2881 1.6390 1.6390 1.6555 1.6555 2.8205 2.8205 2.8647 2.8647 3.6828 3.6828 3.7341 3.7341 4.7512 4.7512 4.8267 4.8267 5.0965 5.0965 5.1534 5.1534 8.4007 8.4007 8.4233 8.4233 9.0174 9.0174 9.0445 9.0445 9.3968 9.3968 k = 0.5000 0.3646 0.3739 ( 5870 PWs) bands (ev): -5.7236 -5.7236 -5.7228 -5.7228 -4.5980 -4.5980 -4.5971 -4.5971 -1.0248 -1.0248 -0.9937 -0.9937 -0.6002 -0.6002 -0.5747 -0.5747 -0.4565 -0.4565 -0.3681 -0.3681 -0.2698 -0.2698 -0.2385 -0.2385 -0.1919 -0.1919 -0.1594 -0.1594 0.2355 0.2355 0.2812 0.2812 1.6912 1.6912 1.7116 1.7116 2.8253 2.8253 2.8691 2.8691 3.6734 3.6734 3.7234 3.7234 4.7199 4.7199 4.7940 4.7940 5.0905 5.0905 5.1440 5.1440 8.3454 8.3454 8.3687 8.3687 8.9858 8.9858 9.0155 9.0155 9.3511 9.3511 k = 0.5000 0.3646 0.3531 ( 5870 PWs) bands (ev): -5.7385 -5.7385 -5.7377 -5.7377 -4.5795 -4.5795 -4.5786 -4.5786 -1.0272 -1.0272 -0.9967 -0.9967 -0.5984 -0.5984 -0.5742 -0.5742 -0.4580 -0.4580 -0.3705 -0.3705 -0.2715 -0.2715 -0.2361 -0.2361 -0.1924 -0.1924 -0.1578 -0.1578 0.2237 0.2237 0.2701 0.2701 1.7459 1.7459 1.7704 1.7704 2.8293 2.8293 2.8730 2.8730 3.6695 3.6695 3.7181 3.7181 4.6901 4.6901 4.7629 4.7629 5.0868 5.0868 5.1370 5.1370 8.2835 8.2835 8.3069 8.3069 8.9420 8.9420 8.9721 8.9721 9.3205 9.3205 k = 0.5000 0.3646 0.3323 ( 5868 PWs) bands (ev): -5.7532 -5.7532 -5.7525 -5.7525 -4.5603 -4.5603 -4.5594 -4.5594 -1.0298 -1.0298 -1.0001 -1.0001 -0.5965 -0.5965 -0.5733 -0.5733 -0.4599 -0.4599 -0.3733 -0.3733 -0.2731 -0.2731 -0.2340 -0.2340 -0.1928 -0.1928 -0.1562 -0.1562 0.2085 0.2085 0.2554 0.2554 1.8026 1.8026 1.8310 1.8310 2.8325 2.8325 2.8762 2.8762 3.6707 3.6707 3.7179 3.7179 4.6620 4.6620 4.7337 4.7337 5.0852 5.0852 5.1323 5.1323 8.2185 8.2185 8.2418 8.2418 8.8849 8.8849 8.9147 8.9147 9.3015 9.3015 k = 0.5000 0.3646 0.3115 ( 5876 PWs) bands (ev): -5.7677 -5.7677 -5.7671 -5.7671 -4.5407 -4.5407 -4.5398 -4.5398 -1.0327 -1.0327 -1.0038 -1.0038 -0.5943 -0.5943 -0.5723 -0.5723 -0.4624 -0.4624 -0.3766 -0.3766 -0.2747 -0.2747 -0.2321 -0.2321 -0.1930 -0.1930 -0.1546 -0.1546 0.1906 0.1906 0.2376 0.2376 1.8605 1.8605 1.8926 1.8926 2.8350 2.8350 2.8788 2.8788 3.6768 3.6768 3.7227 3.7227 4.6357 4.6357 4.7061 4.7061 5.0859 5.0859 5.1299 5.1299 8.1531 8.1531 8.1759 8.1759 8.8178 8.8178 8.8470 8.8470 9.2875 9.2875 k = 0.5000 0.3646 0.2908 ( 5882 PWs) bands (ev): -5.7819 -5.7819 -5.7813 -5.7813 -4.5209 -4.5209 -4.5200 -4.5200 -1.0358 -1.0358 -1.0079 -1.0079 -0.5921 -0.5921 -0.5710 -0.5710 -0.4652 -0.4652 -0.3805 -0.3805 -0.2761 -0.2761 -0.2305 -0.2305 -0.1930 -0.1930 -0.1531 -0.1531 0.1705 0.1705 0.2176 0.2176 1.9188 1.9188 1.9544 1.9544 2.8368 2.8368 2.8807 2.8807 3.6872 3.6872 3.7320 3.7320 4.6110 4.6110 4.6801 4.6801 5.0890 5.0890 5.1299 5.1299 8.0891 8.0891 8.1112 8.1112 8.7448 8.7448 8.7735 8.7735 9.2730 9.2730 k = 0.5000 0.3646 0.2700 ( 5882 PWs) bands (ev): -5.7956 -5.7956 -5.7950 -5.7950 -4.5010 -4.5010 -4.5002 -4.5002 -1.0390 -1.0390 -1.0123 -1.0123 -0.5896 -0.5896 -0.5694 -0.5694 -0.4685 -0.4685 -0.3851 -0.3851 -0.2771 -0.2771 -0.2293 -0.2293 -0.1927 -0.1927 -0.1515 -0.1515 0.1491 0.1491 0.1960 0.1960 1.9768 1.9768 2.0155 2.0155 2.8377 2.8377 2.8819 2.8819 3.7017 3.7017 3.7456 3.7456 4.5880 4.5880 4.6556 4.6556 5.0943 5.0943 5.1321 5.1321 8.0279 8.0279 8.0492 8.0492 8.6692 8.6692 8.6971 8.6971 9.2543 9.2543 k = 0.5000 0.3646 0.2492 ( 5884 PWs) bands (ev): -5.8086 -5.8086 -5.8081 -5.8081 -4.4814 -4.4814 -4.4806 -4.4806 -1.0424 -1.0424 -1.0169 -1.0169 -0.5868 -0.5868 -0.5675 -0.5675 -0.4722 -0.4722 -0.3905 -0.3905 -0.2779 -0.2779 -0.2285 -0.2285 -0.1920 -0.1920 -0.1501 -0.1501 0.1270 0.1270 0.1735 0.1735 2.0338 2.0338 2.0753 2.0753 2.8378 2.8378 2.8823 2.8823 3.7197 3.7197 3.7630 3.7630 4.5667 4.5667 4.6325 4.6325 5.1017 5.1017 5.1365 5.1365 7.9704 7.9704 7.9910 7.9910 8.5929 8.5929 8.6199 8.6199 9.2292 9.2292 k = 0.5000 0.3646 0.2285 ( 5888 PWs) bands (ev): -5.8210 -5.8210 -5.8206 -5.8206 -4.4622 -4.4622 -4.4615 -4.4615 -1.0459 -1.0459 -1.0218 -1.0218 -0.5839 -0.5839 -0.5653 -0.5653 -0.4762 -0.4762 -0.3968 -0.3968 -0.2782 -0.2782 -0.2281 -0.2281 -0.1911 -0.1911 -0.1487 -0.1487 0.1048 0.1048 0.1506 0.1506 2.0893 2.0893 2.1329 2.1329 2.8371 2.8371 2.8817 2.8817 3.7408 3.7408 3.7836 3.7836 4.5468 4.5468 4.6106 4.6106 5.1112 5.1112 5.1429 5.1429 7.9177 7.9177 7.9374 7.9374 8.5173 8.5173 8.5433 8.5433 9.1964 9.1964 k = 0.5000 0.3646 0.2077 ( 5890 PWs) bands (ev): -5.8327 -5.8327 -5.8322 -5.8322 -4.4437 -4.4437 -4.4431 -4.4431 -1.0494 -1.0494 -1.0269 -1.0269 -0.5807 -0.5807 -0.5628 -0.5628 -0.4805 -0.4805 -0.4039 -0.4039 -0.2781 -0.2781 -0.2282 -0.2282 -0.1897 -0.1897 -0.1475 -0.1475 0.0831 0.0831 0.1279 0.1279 2.1427 2.1427 2.1879 2.1879 2.8355 2.8355 2.8801 2.8801 3.7644 3.7644 3.8068 3.8068 4.5285 4.5285 4.5898 4.5898 5.1225 5.1225 5.1512 5.1512 7.8704 7.8704 7.8894 7.8894 8.4432 8.4432 8.4681 8.4681 9.1558 9.1558 k = 0.5000 0.3646 0.1869 ( 5902 PWs) bands (ev): -5.8434 -5.8434 -5.8430 -5.8430 -4.4262 -4.4262 -4.4256 -4.4256 -1.0528 -1.0528 -1.0320 -1.0320 -0.5773 -0.5773 -0.5599 -0.5599 -0.4851 -0.4851 -0.4120 -0.4120 -0.2775 -0.2775 -0.2288 -0.2288 -0.1880 -0.1880 -0.1464 -0.1464 0.0623 0.0623 0.1059 0.1059 2.1935 2.1935 2.2397 2.2397 2.8331 2.8331 2.8773 2.8773 3.7900 3.7900 3.8318 3.8318 4.5116 4.5116 4.5700 4.5700 5.1353 5.1353 5.1609 5.1609 7.8291 7.8291 7.8474 7.8474 8.3711 8.3711 8.3948 8.3948 9.1082 9.1082 k = 0.5000 0.3646 0.1662 ( 5892 PWs) bands (ev): -5.8532 -5.8532 -5.8529 -5.8529 -4.4097 -4.4097 -4.4092 -4.4092 -1.0561 -1.0561 -1.0372 -1.0372 -0.5737 -0.5737 -0.5566 -0.5566 -0.4899 -0.4899 -0.4207 -0.4207 -0.2763 -0.2763 -0.2298 -0.2298 -0.1860 -0.1860 -0.1456 -0.1456 0.0431 0.0431 0.0851 0.0851 2.2414 2.2414 2.2877 2.2877 2.8299 2.8299 2.8733 2.8733 3.8169 3.8169 3.8578 3.8578 4.4961 4.4961 4.5511 4.5511 5.1491 5.1491 5.1717 5.1717 7.7946 7.7946 7.8122 7.8122 8.3015 8.3015 8.3240 8.3240 9.0554 9.0554 k = 0.5000 0.3646 0.1454 ( 5900 PWs) bands (ev): -5.8620 -5.8620 -5.8617 -5.8617 -4.3946 -4.3946 -4.3942 -4.3942 -1.0592 -1.0592 -1.0422 -1.0422 -0.5698 -0.5698 -0.5529 -0.5529 -0.4947 -0.4947 -0.4302 -0.4302 -0.2746 -0.2746 -0.2313 -0.2313 -0.1837 -0.1837 -0.1452 -0.1452 0.0258 0.0258 0.0656 0.0656 2.2859 2.2859 2.3314 2.3314 2.8260 2.8260 2.8681 2.8681 3.8444 3.8444 3.8838 3.8838 4.4821 4.4821 4.5331 4.5331 5.1635 5.1635 5.1832 5.1832 7.7671 7.7671 7.7841 7.7841 8.2347 8.2347 8.2560 8.2560 9.0000 9.0000 k = 0.5000 0.3646 0.1246 ( 5912 PWs) bands (ev): -5.8698 -5.8698 -5.8695 -5.8695 -4.3811 -4.3811 -4.3807 -4.3807 -1.0619 -1.0619 -1.0471 -1.0471 -0.5657 -0.5657 -0.5488 -0.5488 -0.4996 -0.4996 -0.4402 -0.4402 -0.2724 -0.2724 -0.2332 -0.2332 -0.1810 -0.1810 -0.1453 -0.1453 0.0108 0.0108 0.0478 0.0478 2.3268 2.3268 2.3703 2.3703 2.8218 2.8218 2.8618 2.8618 3.8717 3.8717 3.9089 3.9089 4.4697 4.4697 4.5160 4.5160 5.1779 5.1779 5.1947 5.1947 7.7471 7.7471 7.7635 7.7635 8.1711 8.1711 8.1911 8.1911 8.9447 8.9447 k = 0.5000 0.3646 0.1038 ( 5910 PWs) bands (ev): -5.8764 -5.8764 -5.8762 -5.8762 -4.3693 -4.3693 -4.3689 -4.3689 -1.0642 -1.0642 -1.0517 -1.0517 -0.5614 -0.5614 -0.5444 -0.5444 -0.5042 -0.5042 -0.4505 -0.4505 -0.2697 -0.2697 -0.2355 -0.2355 -0.1781 -0.1781 -0.1461 -0.1461 -0.0015 -0.0015 0.0318 0.0318 2.3636 2.3636 2.4039 2.4039 2.8176 2.8176 2.8544 2.8544 3.8981 3.8981 3.9319 3.9319 4.4590 4.4590 4.4999 4.4999 5.1917 5.1917 5.2058 5.2058 7.7346 7.7346 7.7503 7.7503 8.1113 8.1113 8.1300 8.1300 8.8928 8.8928 k = 0.5000 0.3646 0.0831 ( 5906 PWs) bands (ev): -5.8819 -5.8819 -5.8817 -5.8817 -4.3594 -4.3594 -4.3591 -4.3591 -1.0660 -1.0660 -1.0559 -1.0559 -0.5570 -0.5570 -0.5399 -0.5399 -0.5082 -0.5082 -0.4609 -0.4609 -0.2667 -0.2667 -0.2382 -0.2382 -0.1749 -0.1749 -0.1475 -0.1475 -0.0107 -0.0107 0.0178 0.0178 2.3961 2.3961 2.4315 2.4315 2.8140 2.8140 2.8463 2.8463 3.9224 3.9224 3.9518 3.9518 4.4505 4.4505 4.4850 4.4850 5.2044 5.2044 5.2157 5.2157 7.7296 7.7296 7.7444 7.7444 8.0564 8.0564 8.0736 8.0736 8.8468 8.8468 k = 0.5000 0.3646 0.0623 ( 5910 PWs) bands (ev): -5.8861 -5.8861 -5.8860 -5.8860 -4.3515 -4.3515 -4.3513 -4.3513 -1.0672 -1.0672 -1.0595 -1.0595 -0.5525 -0.5525 -0.5362 -0.5362 -0.5107 -0.5107 -0.4712 -0.4712 -0.2633 -0.2633 -0.2413 -0.2413 -0.1714 -0.1714 -0.1498 -0.1498 -0.0169 -0.0169 0.0057 0.0057 2.4236 2.4236 2.4524 2.4524 2.8116 2.8116 2.8379 2.8379 3.9439 3.9439 3.9676 3.9676 4.4444 4.4444 4.4716 4.4716 5.2153 5.2153 5.2239 5.2239 7.7313 7.7313 7.7447 7.7447 8.0079 8.0079 8.0230 8.0230 8.8089 8.8089 k = 0.5000 0.3646 0.0415 ( 5906 PWs) bands (ev): -5.8892 -5.8892 -5.8891 -5.8891 -4.3458 -4.3458 -4.3457 -4.3457 -1.0677 -1.0677 -1.0626 -1.0626 -0.5480 -0.5480 -0.5347 -0.5347 -0.5101 -0.5101 -0.4812 -0.4812 -0.2596 -0.2596 -0.2446 -0.2446 -0.1678 -0.1678 -0.1527 -0.1527 -0.0199 -0.0199 -0.0042 -0.0042 2.4457 2.4457 2.4662 2.4662 2.8109 2.8109 2.8297 2.8297 3.9615 3.9615 3.9782 3.9782 4.4413 4.4413 4.4600 4.4600 5.2240 5.2240 5.2297 5.2297 7.7382 7.7382 7.7491 7.7491 7.9686 7.9686 7.9806 7.9806 8.7810 8.7810 k = 0.5000 0.3646 0.0208 ( 5904 PWs) bands (ev): -5.8911 -5.8911 -5.8910 -5.8910 -4.3423 -4.3423 -4.3423 -4.3423 -1.0676 -1.0676 -1.0650 -1.0650 -0.5436 -0.5436 -0.5362 -0.5362 -0.5059 -0.5059 -0.4905 -0.4905 -0.2558 -0.2558 -0.2482 -0.2482 -0.1639 -0.1639 -0.1562 -0.1562 -0.0199 -0.0199 -0.0118 -0.0118 2.4616 2.4616 2.4723 2.4723 2.8125 2.8125 2.8223 2.8223 3.9744 3.9744 3.9830 3.9830 4.4412 4.4412 4.4509 4.4509 5.2299 5.2299 5.2328 5.2328 7.7472 7.7472 7.7537 7.7537 7.9429 7.9429 7.9500 7.9500 8.7640 8.7640 k = 0.5000 0.3646 0.0000 ( 5902 PWs) bands (ev): -5.8917 -5.8917 -5.8917 -5.8917 -4.3412 -4.3412 -4.3412 -4.3412 -1.0666 -1.0666 -1.0666 -1.0666 -0.5395 -0.5395 -0.5395 -0.5395 -0.4990 -0.4990 -0.4990 -0.4990 -0.2520 -0.2520 -0.2520 -0.2520 -0.1600 -0.1600 -0.1600 -0.1600 -0.0171 -0.0171 -0.0171 -0.0171 2.4706 2.4706 2.4706 2.4706 2.8164 2.8164 2.8164 2.8164 3.9817 3.9817 3.9817 3.9817 4.4445 4.4445 4.4445 4.4445 5.2329 5.2329 5.2329 5.2329 7.7536 7.7536 7.7536 7.7536 7.9361 7.9361 7.9361 7.9361 8.7587 8.7587 k = 0.0000 0.0000 0.8487 ( 5840 PWs) bands (ev): -5.5603 -5.5603 -5.5589 -5.5589 -4.7089 -4.7089 -4.7078 -4.7078 -1.0393 -1.0393 -0.9958 -0.9958 -0.6053 -0.6053 -0.5673 -0.5673 -0.4906 -0.4906 -0.4188 -0.4188 -0.2858 -0.2858 -0.2462 -0.2462 -0.1989 -0.1989 -0.1769 -0.1769 -0.1373 -0.1373 -0.0988 -0.0988 1.2495 1.2495 1.2993 1.2993 2.6801 2.6801 2.7289 2.7289 4.5117 4.5117 4.5146 4.5146 5.2409 5.2409 5.2844 5.2844 5.7682 5.7682 5.7922 5.7922 7.6697 7.6697 7.6827 7.6827 9.1150 9.1150 9.1257 9.1257 10.1197 10.1197 k = 0.0167 0.0122 0.8487 ( 5852 PWs) bands (ev): -5.5603 -5.5602 -5.5589 -5.5588 -4.7090 -4.7089 -4.7079 -4.7079 -1.0392 -1.0390 -0.9981 -0.9931 -0.6063 -0.6042 -0.5694 -0.5655 -0.4997 -0.4813 -0.4203 -0.4169 -0.2858 -0.2856 -0.2484 -0.2442 -0.1997 -0.1983 -0.1830 -0.1716 -0.1413 -0.1309 -0.1017 -0.0940 1.2436 1.2457 1.2927 1.2951 2.6873 2.6882 2.7337 2.7382 4.5078 4.5106 4.5116 4.5129 5.2403 5.2414 5.2842 5.2846 5.7589 5.7667 5.7866 5.7874 7.6744 7.6802 7.6890 7.6915 9.1136 9.1138 9.1244 9.1245 10.1191 10.1200 k = 0.0333 0.0243 0.8487 ( 5870 PWs) bands (ev): -5.5603 -5.5601 -5.5589 -5.5588 -4.7092 -4.7090 -4.7081 -4.7080 -1.0386 -1.0384 -1.0002 -0.9901 -0.6070 -0.6030 -0.5716 -0.5639 -0.5083 -0.4717 -0.4214 -0.4146 -0.2858 -0.2855 -0.2508 -0.2424 -0.2007 -0.1980 -0.1889 -0.1687 -0.1411 -0.1229 -0.1025 -0.0871 1.2285 1.2327 1.2757 1.2805 2.7093 2.7110 2.7521 2.7610 4.4990 4.5038 4.5046 4.5066 5.2395 5.2419 5.2841 5.2849 5.7397 5.7547 5.7710 5.7725 7.6941 7.7054 7.7102 7.7150 9.1094 9.1100 9.1204 9.1205 10.1183 10.1201 k = 0.0500 0.0365 0.8487 ( 5880 PWs) bands (ev): -5.5603 -5.5600 -5.5588 -5.5586 -4.7094 -4.7092 -4.7083 -4.7082 -1.0377 -1.0374 -1.0019 -0.9869 -0.6076 -0.6017 -0.5740 -0.5626 -0.5165 -0.4620 -0.4221 -0.4121 -0.2857 -0.2852 -0.2532 -0.2407 -0.2016 -0.1979 -0.1944 -0.1694 -0.1358 -0.1136 -0.1013 -0.0782 1.2054 1.2112 1.2497 1.2567 2.7449 2.7473 2.7832 2.7963 4.4851 4.4912 4.4936 4.4955 5.2387 5.2423 5.2840 5.2854 5.7118 5.7334 5.7467 5.7488 7.7278 7.7440 7.7452 7.7522 9.1024 9.1032 9.1135 9.1137 10.1175 10.1199 k = 0.0667 0.0486 0.8487 ( 5878 PWs) bands (ev): -5.5602 -5.5598 -5.5587 -5.5585 -4.7098 -4.7095 -4.7086 -4.7085 -1.0364 -1.0361 -1.0034 -0.9835 -0.6081 -0.6002 -0.5764 -0.5615 -0.5241 -0.4523 -0.4224 -0.4093 -0.2854 -0.2850 -0.2558 -0.2391 -0.2025 -0.1994 -0.1979 -0.1720 -0.1268 -0.1032 -0.0982 -0.0676 1.1756 1.1828 1.2163 1.2253 2.7924 2.7953 2.8255 2.8426 4.4658 4.4733 4.4772 4.4795 5.2378 5.2427 5.2838 5.2861 5.6773 5.7042 5.7155 5.7180 7.7741 7.7923 7.7944 7.8014 9.0921 9.0933 9.1036 9.1037 10.1167 10.1195 k = 0.0833 0.0608 0.8487 ( 5886 PWs) bands (ev): -5.5601 -5.5596 -5.5586 -5.5583 -4.7102 -4.7098 -4.7090 -4.7088 -1.0348 -1.0345 -1.0045 -0.9799 -0.6083 -0.5986 -0.5789 -0.5607 -0.5313 -0.4428 -0.4224 -0.4063 -0.2851 -0.2847 -0.2584 -0.2376 -0.2038 -0.2032 -0.1982 -0.1752 -0.1157 -0.0934 -0.0919 -0.0553 1.1411 1.1491 1.1776 1.1884 2.8499 2.8530 2.8772 2.8982 4.4410 4.4500 4.4553 4.4586 5.2370 5.2432 5.2836 5.2870 5.6383 5.6694 5.6795 5.6823 7.8309 7.8498 7.8546 7.8607 9.0784 9.0798 9.0901 9.0902 10.1163 10.1190 k = 0.1000 0.0729 0.8487 ( 5870 PWs) bands (ev): -5.5599 -5.5594 -5.5585 -5.5581 -4.7106 -4.7102 -4.7095 -4.7092 -1.0329 -1.0328 -1.0055 -0.9763 -0.6083 -0.5969 -0.5814 -0.5600 -0.5378 -0.4336 -0.4221 -0.4033 -0.2846 -0.2843 -0.2609 -0.2362 -0.2077 -0.2037 -0.1986 -0.1785 -0.1034 -0.0869 -0.0797 -0.0416 1.1035 1.1120 1.1355 1.1479 2.9152 2.9185 2.9363 2.9612 4.4105 4.4211 4.4278 4.4325 5.2362 5.2438 5.2834 5.2885 5.5973 5.6310 5.6409 5.6438 7.8963 7.9155 7.9227 7.9281 9.0607 9.0623 9.0727 9.0727 10.1165 10.1188 k = 0.1167 0.0851 0.8487 ( 5862 PWs) bands (ev): -5.5598 -5.5592 -5.5583 -5.5579 -4.7111 -4.7106 -4.7100 -4.7097 -1.0309 -1.0309 -1.0063 -0.9727 -0.6082 -0.5950 -0.5839 -0.5596 -0.5438 -0.4251 -0.4216 -0.4003 -0.2840 -0.2840 -0.2635 -0.2350 -0.2112 -0.2040 -0.1990 -0.1816 -0.0903 -0.0791 -0.0668 -0.0270 1.0645 1.0731 1.0919 1.1057 2.9866 2.9897 3.0010 3.0299 4.3743 4.3864 4.3945 4.4014 5.2356 5.2447 5.2830 5.2904 5.5564 5.5910 5.6016 5.6046 7.9683 7.9876 7.9967 8.0016 9.0386 9.0404 9.0506 9.0509 10.1175 10.1189 k = 0.1333 0.0972 0.8487 ( 5872 PWs) bands (ev): -5.5596 -5.5589 -5.5582 -5.5577 -4.7116 -4.7110 -4.7105 -4.7101 -1.0291 -1.0286 -1.0071 -0.9693 -0.6079 -0.5932 -0.5864 -0.5593 -0.5494 -0.4210 -0.4172 -0.3975 -0.2836 -0.2833 -0.2660 -0.2339 -0.2142 -0.2040 -0.1995 -0.1844 -0.0769 -0.0701 -0.0535 -0.0116 1.0259 1.0340 1.0483 1.0633 3.0619 3.0649 3.0694 3.1024 4.3326 4.3462 4.3555 4.3656 5.2352 5.2457 5.2824 5.2931 5.5175 5.5513 5.5635 5.5664 8.0450 8.0642 8.0748 8.0796 9.0116 9.0136 9.0237 9.0243 10.1197 10.1197 k = 0.1500 0.1094 0.8487 ( 5880 PWs) bands (ev): -5.5595 -5.5587 -5.5581 -5.5575 -4.7120 -4.7114 -4.7109 -4.7105 -1.0273 -1.0264 -1.0078 -0.9661 -0.6074 -0.5912 -0.5889 -0.5591 -0.5544 -0.4203 -0.4102 -0.3949 -0.2832 -0.2827 -0.2684 -0.2330 -0.2168 -0.2038 -0.2000 -0.1870 -0.0635 -0.0604 -0.0403 0.0039 0.9891 0.9963 1.0065 1.0224 3.1394 3.1395 3.1422 3.1769 4.2859 4.3010 4.3115 4.3256 5.2354 5.2471 5.2814 5.2966 5.4824 5.5132 5.5280 5.5307 8.1245 8.1436 8.1553 8.1602 8.9794 8.9816 8.9914 8.9924 10.1213 10.1232 k = 0.1667 0.1215 0.8487 ( 5886 PWs) bands (ev): -5.5593 -5.5585 -5.5579 -5.5574 -4.7125 -4.7118 -4.7114 -4.7110 -1.0256 -1.0241 -1.0085 -0.9633 -0.6068 -0.5912 -0.5892 -0.5591 -0.5590 -0.4197 -0.4042 -0.3926 -0.2827 -0.2820 -0.2706 -0.2321 -0.2190 -0.2033 -0.2004 -0.1894 -0.0508 -0.0504 -0.0275 0.0191 0.9555 0.9615 0.9678 0.9843 3.2088 3.2173 3.2195 3.2512 4.2354 4.2520 4.2634 4.2828 5.2362 5.2487 5.2797 5.3012 5.4525 5.4779 5.4962 5.4984 8.2052 8.2241 8.2366 8.2419 8.9420 8.9443 8.9536 8.9552 10.1238 10.1272 k = 0.1833 0.1337 0.8487 ( 5898 PWs) bands (ev): -5.5592 -5.5583 -5.5578 -5.5572 -4.7128 -4.7121 -4.7118 -4.7113 -1.0241 -1.0218 -1.0093 -0.9608 -0.6060 -0.5934 -0.5872 -0.5631 -0.5591 -0.4191 -0.3991 -0.3907 -0.2822 -0.2814 -0.2726 -0.2314 -0.2209 -0.2027 -0.2009 -0.1915 -0.0406 -0.0394 -0.0157 0.0331 0.9264 0.9307 0.9336 0.9503 3.2748 3.2928 3.2944 3.3226 4.1828 4.2013 4.2131 4.2390 5.2378 5.2506 5.2769 5.3072 5.4288 5.4460 5.4690 5.4702 8.2850 8.3041 8.3170 8.3231 8.8995 8.9021 8.9105 8.9128 10.1261 10.1271 k = 0.2000 0.1458 0.8487 ( 5894 PWs) bands (ev): -5.5591 -5.5581 -5.5578 -5.5571 -4.7132 -4.7124 -4.7121 -4.7116 -1.0229 -1.0196 -1.0102 -0.9588 -0.6050 -0.5955 -0.5850 -0.5668 -0.5591 -0.4186 -0.3950 -0.3892 -0.2815 -0.2808 -0.2745 -0.2309 -0.2223 -0.2018 -0.2012 -0.1935 -0.0317 -0.0298 -0.0056 0.0452 0.9031 0.9052 0.9053 0.9216 3.3342 3.3628 3.3634 3.3876 4.1314 4.1520 4.1634 4.1972 5.2404 5.2525 5.2728 5.3146 5.4122 5.4179 5.4466 5.4471 8.3615 8.3813 8.3942 8.4017 8.8529 8.8560 8.8627 8.8660 10.1258 10.1310 k = 0.2167 0.1580 0.8487 ( 5904 PWs) bands (ev): -5.5590 -5.5579 -5.5577 -5.5570 -4.7134 -4.7126 -4.7124 -4.7118 -1.0220 -1.0176 -1.0113 -0.9573 -0.6038 -0.5974 -0.5829 -0.5701 -0.5591 -0.4182 -0.3919 -0.3883 -0.2808 -0.2804 -0.2761 -0.2305 -0.2233 -0.2015 -0.2008 -0.1953 -0.0245 -0.0227 0.0021 0.0547 0.8840 0.8861 0.8866 0.8992 3.3826 3.4215 3.4225 3.4409 4.0859 4.1094 4.1188 4.1616 5.2441 5.2542 5.2674 5.3236 5.3939 5.4029 5.4275 5.4309 8.4310 8.4527 8.4646 8.4747 8.8051 8.8091 8.8124 8.8170 10.1260 10.1350 k = 0.2333 0.1701 0.8487 ( 5908 PWs) bands (ev): -5.5589 -5.5578 -5.5577 -5.5569 -4.7135 -4.7127 -4.7126 -4.7120 -1.0215 -1.0157 -1.0126 -0.9565 -0.6025 -0.5993 -0.5810 -0.5727 -0.5592 -0.4180 -0.3898 -0.3881 -0.2802 -0.2799 -0.2776 -0.2302 -0.2239 -0.2016 -0.1996 -0.1969 -0.0196 -0.0185 0.0071 0.0607 0.8708 0.8743 0.8777 0.8841 3.4148 3.4617 3.4655 3.4755 4.0532 4.0802 4.0858 4.1370 5.2490 5.2555 5.2611 5.3338 5.3747 5.4004 5.4133 5.4210 8.4853 8.5114 8.5199 8.5351 8.7636 8.7659 8.7685 8.7721 10.1263 10.1387 k = 0.2500 0.1823 0.8487 ( 5904 PWs) bands (ev): -5.5589 -5.5578 -5.5578 -5.5569 -4.7136 -4.7127 -4.7127 -4.7120 -1.0213 -1.0141 -1.0141 -0.9561 -0.6009 -0.6009 -0.5800 -0.5739 -0.5592 -0.4179 -0.3885 -0.3885 -0.2801 -0.2788 -0.2788 -0.2301 -0.2241 -0.2017 -0.1983 -0.1983 -0.0175 -0.0174 0.0088 0.0627 0.8663 0.8703 0.8768 0.8768 3.4262 3.4764 3.4845 3.4845 4.0411 4.0715 4.0715 4.1282 5.2548 5.2548 5.2559 5.3404 5.3652 5.4041 5.4041 5.4176 8.5078 8.5402 8.5402 8.5623 8.7433 8.7480 8.7480 8.7506 10.1265 10.1415 Writing output data file ZnSiAs2.save init_run : 1.22s CPU 0.76s WALL ( 1 calls) electrons : 415.50s CPU 297.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.09s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 415.50s CPU 297.35s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.31s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.47s CPU 0.49s WALL ( 277 calls) cegterg : 350.73s CPU 260.85s WALL ( 393 calls) Called by sum_band: Called by *egterg: h_psi : 283.48s CPU 178.13s WALL ( 6398 calls) s_psi : 17.20s CPU 13.16s WALL ( 6398 calls) g_psi : 0.33s CPU 0.32s WALL ( 5728 calls) cdiaghg : 76.42s CPU 72.36s WALL ( 6005 calls) cegterg:over : 10.66s CPU 9.88s WALL ( 5728 calls) cegterg:upda : 9.61s CPU 8.92s WALL ( 5728 calls) cegterg:last : 3.54s CPU 3.63s WALL ( 950 calls) cdiaghg:chol : 4.38s CPU 4.16s WALL ( 6005 calls) cdiaghg:inve : 3.04s CPU 2.90s WALL ( 6005 calls) cdiaghg:para : 4.92s CPU 4.78s WALL ( 12010 calls) Called by h_psi: h_psi:vloc : 255.98s CPU 157.43s WALL ( 6398 calls) h_psi:vnl : 27.03s CPU 20.34s WALL ( 6398 calls) add_vuspsi : 14.87s CPU 10.99s WALL ( 6398 calls) General routines calbec : 12.10s CPU 9.33s WALL ( 6398 calls) fft : 0.07s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 243.38s CPU 147.72s WALL ( 806620 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.32s CPU 1.28s WALL ( 554 calls) Parallel routines fft_scatter : 81.62s CPU 58.98s WALL ( 806643 calls) PWSCF : 7m16.92s CPU 5m32.48s WALL This run was terminated on: 6:20:14 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=