Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:53:43 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: ./FeCuS2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Cu.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 73 56 15 1690 1139 174 Max 75 57 16 1691 1162 178 Sum 2631 2045 575 60861 41431 6355 bravais-lattice index = 14 lattice parameter (alat) = 12.1162 a.u. unit-cell volume = 982.1847 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.116182 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.660195 celldm(5)= -0.660195 celldm(6)= 0.320390 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.320390 0.947286 0.000000 ) a(3) = ( -0.660195 -0.473643 0.582928 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.338219 0.857739 ) b(2) = ( 0.000000 1.055648 0.857739 ) b(3) = ( 0.000000 0.000000 1.715478 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 1.00) Cu 11.00 63.54600 Cu( 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 =( -0.1601951 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4736428 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2914639 ) 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= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0000000 0.0199474), wk = 0.0034014 k( 3) = ( 0.0000000 0.0000000 0.0398948), wk = 0.0034014 k( 4) = ( 0.0000000 0.0000000 0.0598423), wk = 0.0034014 k( 5) = ( 0.0000000 0.0000000 0.0797897), wk = 0.0034014 k( 6) = ( 0.0000000 0.0000000 0.0997371), wk = 0.0034014 k( 7) = ( 0.0000000 0.0000000 0.1196845), wk = 0.0034014 k( 8) = ( 0.0000000 0.0000000 0.1396319), wk = 0.0034014 k( 9) = ( 0.0000000 0.0000000 0.1595794), wk = 0.0034014 k( 10) = ( 0.0000000 0.0000000 0.1795268), wk = 0.0034014 k( 11) = ( 0.0000000 0.0000000 0.1994742), wk = 0.0034014 k( 12) = ( 0.0000000 0.0000000 0.2194216), wk = 0.0034014 k( 13) = ( 0.0000000 0.0000000 0.2393690), wk = 0.0034014 k( 14) = ( 0.0000000 0.0000000 0.2593165), wk = 0.0034014 k( 15) = ( 0.0000000 0.0000000 0.2792639), wk = 0.0034014 k( 16) = ( 0.0000000 0.0000000 0.2992113), wk = 0.0034014 k( 17) = ( 0.0000000 0.0000000 0.3191587), wk = 0.0034014 k( 18) = ( 0.0000000 0.0000000 0.3391062), wk = 0.0034014 k( 19) = ( 0.0000000 0.0000000 0.3590536), wk = 0.0034014 k( 20) = ( 0.0000000 0.0000000 0.3790010), wk = 0.0034014 k( 21) = ( 0.0000000 0.0000000 0.3989484), wk = 0.0034014 k( 22) = ( 0.0000000 0.0000000 0.4188958), wk = 0.0034014 k( 23) = ( 0.0000000 0.0000000 0.4388433), wk = 0.0034014 k( 24) = ( 0.0000000 0.0000000 0.4587907), wk = 0.0034014 k( 25) = ( 0.0000000 0.0000000 0.4787381), wk = 0.0034014 k( 26) = ( 0.0000000 0.0000000 0.4986855), wk = 0.0034014 k( 27) = ( 0.0000000 0.0000000 0.5186329), wk = 0.0034014 k( 28) = ( 0.0000000 0.0000000 0.5385804), wk = 0.0034014 k( 29) = ( 0.0000000 0.0000000 0.5585278), wk = 0.0034014 k( 30) = ( 0.0000000 0.0000000 0.5784752), wk = 0.0034014 k( 31) = ( 0.0000000 0.0000000 0.5984226), wk = 0.0034014 k( 32) = ( 0.0000000 0.0000000 0.6183701), wk = 0.0034014 k( 33) = ( 0.0000000 0.0000000 0.6383175), wk = 0.0034014 k( 34) = ( 0.0000000 0.0000000 0.6582649), wk = 0.0034014 k( 35) = ( 0.0000000 0.0000000 0.6782123), wk = 0.0034014 k( 36) = ( 0.0000000 0.0000000 0.6981597), wk = 0.0034014 k( 37) = ( 0.0000000 0.0000000 0.7181072), wk = 0.0034014 k( 38) = ( 0.0000000 0.0000000 0.7380546), wk = 0.0034014 k( 39) = ( 0.0000000 0.0000000 0.7580020), wk = 0.0034014 k( 40) = ( 0.0000000 0.0000000 0.7779494), wk = 0.0034014 k( 41) = ( 0.0000000 0.0000000 0.7978968), wk = 0.0034014 k( 42) = ( 0.0000000 0.0000000 0.8178443), wk = 0.0034014 k( 43) = ( 0.0000000 0.0000000 0.8377917), wk = 0.0034014 k( 44) = ( 0.0000000 0.0000000 0.8577391), wk = 0.0034014 k( 45) = ( 0.0000000 0.0000000 0.8577391), wk = 0.0034014 k( 46) = ( -0.0116978 0.0163052 0.8577391), wk = 0.0034014 k( 47) = ( -0.0233956 0.0326104 0.8577391), wk = 0.0034014 k( 48) = ( -0.0350934 0.0489156 0.8577391), wk = 0.0034014 k( 49) = ( -0.0467912 0.0652208 0.8577391), wk = 0.0034014 k( 50) = ( -0.0584891 0.0815260 0.8577391), wk = 0.0034014 k( 51) = ( -0.0701869 0.0978312 0.8577391), wk = 0.0034014 k( 52) = ( -0.0818847 0.1141363 0.8577391), wk = 0.0034014 k( 53) = ( -0.0935825 0.1304416 0.8577391), wk = 0.0034014 k( 54) = ( -0.1052803 0.1467467 0.8577391), wk = 0.0034014 k( 55) = ( -0.1169781 0.1630519 0.8577391), wk = 0.0034014 k( 56) = ( -0.1286759 0.1793571 0.8577391), wk = 0.0034014 k( 57) = ( -0.1286759 0.1793571 0.8577391), wk = 0.0034014 k( 58) = ( -0.1367482 0.1906088 0.8438913), wk = 0.0034014 k( 59) = ( -0.1448204 0.2018604 0.8300435), wk = 0.0034014 k( 60) = ( -0.1528927 0.2131121 0.8161957), wk = 0.0034014 k( 61) = ( -0.1609650 0.2243638 0.8023479), wk = 0.0034014 k( 62) = ( -0.1690372 0.2356154 0.7885002), wk = 0.0034014 k( 63) = ( -0.1771095 0.2468671 0.7746524), wk = 0.0034014 k( 64) = ( -0.1851818 0.2581188 0.7608046), wk = 0.0034014 k( 65) = ( -0.1932540 0.2693704 0.7469568), wk = 0.0034014 k( 66) = ( -0.2013263 0.2806221 0.7331090), wk = 0.0034014 k( 67) = ( -0.2093985 0.2918737 0.7192612), wk = 0.0034014 k( 68) = ( -0.2174708 0.3031254 0.7054134), wk = 0.0034014 k( 69) = ( -0.2255431 0.3143771 0.6915656), wk = 0.0034014 k( 70) = ( -0.2336153 0.3256287 0.6777178), wk = 0.0034014 k( 71) = ( -0.2416876 0.3368804 0.6638700), wk = 0.0034014 k( 72) = ( -0.2497599 0.3481321 0.6500222), wk = 0.0034014 k( 73) = ( -0.2578321 0.3593837 0.6361745), wk = 0.0034014 k( 74) = ( -0.2659044 0.3706354 0.6223267), wk = 0.0034014 k( 75) = ( -0.2739766 0.3818870 0.6084789), wk = 0.0034014 k( 76) = ( -0.2820489 0.3931387 0.5946311), wk = 0.0034014 k( 77) = ( -0.2901212 0.4043904 0.5807833), wk = 0.0034014 k( 78) = ( -0.2981934 0.4156420 0.5669355), wk = 0.0034014 k( 79) = ( -0.3062657 0.4268937 0.5530877), wk = 0.0034014 k( 80) = ( -0.3143380 0.4381453 0.5392399), wk = 0.0034014 k( 81) = ( -0.3143380 0.4381453 0.5392399), wk = 0.0034014 k( 82) = ( -0.3060659 0.4266152 0.5250494), wk = 0.0034014 k( 83) = ( -0.2977939 0.4150851 0.5108589), wk = 0.0034014 k( 84) = ( -0.2895218 0.4035549 0.4966683), wk = 0.0034014 k( 85) = ( -0.2812498 0.3920248 0.4824778), wk = 0.0034014 k( 86) = ( -0.2729777 0.3804946 0.4682873), wk = 0.0034014 k( 87) = ( -0.2647057 0.3689645 0.4540968), wk = 0.0034014 k( 88) = ( -0.2564336 0.3574344 0.4399063), wk = 0.0034014 k( 89) = ( -0.2481616 0.3459042 0.4257157), wk = 0.0034014 k( 90) = ( -0.2398895 0.3343741 0.4115252), wk = 0.0034014 k( 91) = ( -0.2316174 0.3228439 0.3973347), wk = 0.0034014 k( 92) = ( -0.2233454 0.3113138 0.3831442), wk = 0.0034014 k( 93) = ( -0.2150733 0.2997837 0.3689536), wk = 0.0034014 k( 94) = ( -0.2068013 0.2882535 0.3547631), wk = 0.0034014 k( 95) = ( -0.1985292 0.2767234 0.3405726), wk = 0.0034014 k( 96) = ( -0.1902572 0.2651932 0.3263821), wk = 0.0034014 k( 97) = ( -0.1819851 0.2536631 0.3121915), wk = 0.0034014 k( 98) = ( -0.1737131 0.2421329 0.2980010), wk = 0.0034014 k( 99) = ( -0.1654410 0.2306028 0.2838105), wk = 0.0034014 k( 100) = ( -0.1571690 0.2190727 0.2696200), wk = 0.0034014 k( 101) = ( -0.1488969 0.2075425 0.2554294), wk = 0.0034014 k( 102) = ( -0.1406249 0.1960124 0.2412389), wk = 0.0034014 k( 103) = ( -0.1323528 0.1844822 0.2270484), wk = 0.0034014 k( 104) = ( -0.1240808 0.1729521 0.2128579), wk = 0.0034014 k( 105) = ( -0.1158087 0.1614220 0.1986673), wk = 0.0034014 k( 106) = ( -0.1075367 0.1498918 0.1844768), wk = 0.0034014 k( 107) = ( -0.0992646 0.1383617 0.1702863), wk = 0.0034014 k( 108) = ( -0.0909926 0.1268315 0.1560958), wk = 0.0034014 k( 109) = ( -0.0827205 0.1153014 0.1419052), wk = 0.0034014 k( 110) = ( -0.0744485 0.1037713 0.1277147), wk = 0.0034014 k( 111) = ( -0.0661764 0.0922411 0.1135242), wk = 0.0034014 k( 112) = ( -0.0579044 0.0807110 0.0993337), wk = 0.0034014 k( 113) = ( -0.0496323 0.0691808 0.0851431), wk = 0.0034014 k( 114) = ( -0.0413603 0.0576507 0.0709526), wk = 0.0034014 k( 115) = ( -0.0330882 0.0461206 0.0567621), wk = 0.0034014 k( 116) = ( -0.0248161 0.0345904 0.0425716), wk = 0.0034014 k( 117) = ( -0.0165441 0.0230603 0.0283810), wk = 0.0034014 k( 118) = ( -0.0082720 0.0115301 0.0141905), wk = 0.0034014 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 121) = ( 0.0161290 0.0115714 0.0000000), wk = 0.0034014 k( 122) = ( 0.0322581 0.0231429 0.0000000), wk = 0.0034014 k( 123) = ( 0.0483871 0.0347143 0.0000000), wk = 0.0034014 k( 124) = ( 0.0645161 0.0462857 0.0000000), wk = 0.0034014 k( 125) = ( 0.0806452 0.0578571 0.0000000), wk = 0.0034014 k( 126) = ( 0.0967742 0.0694286 0.0000000), wk = 0.0034014 k( 127) = ( 0.1129032 0.0810000 0.0000000), wk = 0.0034014 k( 128) = ( 0.1290323 0.0925714 0.0000000), wk = 0.0034014 k( 129) = ( 0.1451613 0.1041428 0.0000000), wk = 0.0034014 k( 130) = ( 0.1612903 0.1157143 0.0000000), wk = 0.0034014 k( 131) = ( 0.1774194 0.1272857 0.0000000), wk = 0.0034014 k( 132) = ( 0.1935484 0.1388571 0.0000000), wk = 0.0034014 k( 133) = ( 0.2096774 0.1504286 0.0000000), wk = 0.0034014 k( 134) = ( 0.2258064 0.1620000 0.0000000), wk = 0.0034014 k( 135) = ( 0.2419355 0.1735714 0.0000000), wk = 0.0034014 k( 136) = ( 0.2580645 0.1851428 0.0000000), wk = 0.0034014 k( 137) = ( 0.2741936 0.1967143 0.0000000), wk = 0.0034014 k( 138) = ( 0.2903226 0.2082857 0.0000000), wk = 0.0034014 k( 139) = ( 0.3064516 0.2198571 0.0000000), wk = 0.0034014 k( 140) = ( 0.3225807 0.2314286 0.0000000), wk = 0.0034014 k( 141) = ( 0.3387097 0.2430000 0.0000000), wk = 0.0034014 k( 142) = ( 0.3548387 0.2545714 0.0000000), wk = 0.0034014 k( 143) = ( 0.3709677 0.2661428 0.0000000), wk = 0.0034014 k( 144) = ( 0.3870968 0.2777143 0.0000000), wk = 0.0034014 k( 145) = ( 0.4032258 0.2892857 0.0000000), wk = 0.0034014 k( 146) = ( 0.4193548 0.3008571 0.0000000), wk = 0.0034014 k( 147) = ( 0.4354839 0.3124285 0.0000000), wk = 0.0034014 k( 148) = ( 0.4516129 0.3240000 0.0000000), wk = 0.0034014 k( 149) = ( 0.4677419 0.3355714 0.0000000), wk = 0.0034014 k( 150) = ( 0.4838710 0.3471428 0.0000000), wk = 0.0034014 k( 151) = ( 0.5000000 0.3587143 0.0000000), wk = 0.0034014 k( 152) = ( 0.5000000 0.3587143 0.0000000), wk = 0.0034014 k( 153) = ( 0.4919277 0.3699659 0.0138478), wk = 0.0034014 k( 154) = ( 0.4838555 0.3812176 0.0276956), wk = 0.0034014 k( 155) = ( 0.4757832 0.3924692 0.0415434), wk = 0.0034014 k( 156) = ( 0.4677110 0.4037209 0.0553912), wk = 0.0034014 k( 157) = ( 0.4596387 0.4149726 0.0692389), wk = 0.0034014 k( 158) = ( 0.4515664 0.4262242 0.0830868), wk = 0.0034014 k( 159) = ( 0.4434942 0.4374759 0.0969345), wk = 0.0034014 k( 160) = ( 0.4354219 0.4487275 0.1107823), wk = 0.0034014 k( 161) = ( 0.4273496 0.4599792 0.1246301), wk = 0.0034014 k( 162) = ( 0.4192774 0.4712309 0.1384779), wk = 0.0034014 k( 163) = ( 0.4112051 0.4824825 0.1523257), wk = 0.0034014 k( 164) = ( 0.4031328 0.4937342 0.1661735), wk = 0.0034014 k( 165) = ( 0.3950606 0.5049858 0.1800213), wk = 0.0034014 k( 166) = ( 0.3869883 0.5162375 0.1938691), wk = 0.0034014 k( 167) = ( 0.3789161 0.5274892 0.2077169), wk = 0.0034014 k( 168) = ( 0.3708438 0.5387408 0.2215646), wk = 0.0034014 k( 169) = ( 0.3627715 0.5499925 0.2354125), wk = 0.0034014 k( 170) = ( 0.3546993 0.5612442 0.2492602), wk = 0.0034014 k( 171) = ( 0.3466270 0.5724958 0.2631080), wk = 0.0034014 k( 172) = ( 0.3385548 0.5837475 0.2769558), wk = 0.0034014 k( 173) = ( 0.3304825 0.5949992 0.2908036), wk = 0.0034014 k( 174) = ( 0.3224102 0.6062508 0.3046514), wk = 0.0034014 k( 175) = ( 0.3143380 0.6175025 0.3184992), wk = 0.0034014 k( 176) = ( 0.3143380 0.6175025 0.3184992), wk = 0.0034014 k( 177) = ( 0.2958475 0.6122273 0.3249916), wk = 0.0034014 k( 178) = ( 0.2773570 0.6069521 0.3314839), wk = 0.0034014 k( 179) = ( 0.2588665 0.6016768 0.3379763), wk = 0.0034014 k( 180) = ( 0.2403761 0.5964016 0.3444687), wk = 0.0034014 k( 181) = ( 0.2218856 0.5911264 0.3509611), wk = 0.0034014 k( 182) = ( 0.2033951 0.5858512 0.3574534), wk = 0.0034014 k( 183) = ( 0.1849047 0.5805760 0.3639458), wk = 0.0034014 k( 184) = ( 0.1664142 0.5753008 0.3704382), wk = 0.0034014 k( 185) = ( 0.1479237 0.5700256 0.3769306), wk = 0.0034014 k( 186) = ( 0.1294333 0.5647504 0.3834229), wk = 0.0034014 k( 187) = ( 0.1109428 0.5594752 0.3899153), wk = 0.0034014 k( 188) = ( 0.0924523 0.5541999 0.3964077), wk = 0.0034014 k( 189) = ( 0.0739619 0.5489247 0.4029001), wk = 0.0034014 k( 190) = ( 0.0554714 0.5436495 0.4093924), wk = 0.0034014 k( 191) = ( 0.0369809 0.5383743 0.4158848), wk = 0.0034014 k( 192) = ( 0.0184905 0.5330991 0.4223772), wk = 0.0034014 k( 193) = ( 0.0000000 0.5278239 0.4288696), wk = 0.0034014 k( 194) = ( 0.0000000 0.5278239 0.4288696), wk = 0.0034014 k( 195) = ( 0.0083333 0.5162083 0.4431652), wk = 0.0034014 k( 196) = ( 0.0166667 0.5045928 0.4574609), wk = 0.0034014 k( 197) = ( 0.0250000 0.4929772 0.4717565), wk = 0.0034014 k( 198) = ( 0.0333333 0.4813617 0.4860522), wk = 0.0034014 k( 199) = ( 0.0416667 0.4697461 0.5003478), wk = 0.0034014 k( 200) = ( 0.0500000 0.4581305 0.5146435), wk = 0.0034014 k( 201) = ( 0.0583333 0.4465150 0.5289391), wk = 0.0034014 k( 202) = ( 0.0666667 0.4348994 0.5432348), wk = 0.0034014 k( 203) = ( 0.0750000 0.4232839 0.5575304), wk = 0.0034014 k( 204) = ( 0.0833333 0.4116683 0.5718261), wk = 0.0034014 k( 205) = ( 0.0916667 0.4000527 0.5861217), wk = 0.0034014 k( 206) = ( 0.1000000 0.3884372 0.6004174), wk = 0.0034014 k( 207) = ( 0.1083333 0.3768216 0.6147130), wk = 0.0034014 k( 208) = ( 0.1166667 0.3652061 0.6290087), wk = 0.0034014 k( 209) = ( 0.1250000 0.3535905 0.6433043), wk = 0.0034014 k( 210) = ( 0.1333333 0.3419750 0.6576000), wk = 0.0034014 k( 211) = ( 0.1416667 0.3303594 0.6718956), wk = 0.0034014 k( 212) = ( 0.1500000 0.3187438 0.6861913), wk = 0.0034014 k( 213) = ( 0.1583333 0.3071283 0.7004869), wk = 0.0034014 k( 214) = ( 0.1666667 0.2955127 0.7147826), wk = 0.0034014 k( 215) = ( 0.1750000 0.2838972 0.7290782), wk = 0.0034014 k( 216) = ( 0.1833333 0.2722816 0.7433739), wk = 0.0034014 k( 217) = ( 0.1916667 0.2606660 0.7576695), wk = 0.0034014 k( 218) = ( 0.2000000 0.2490505 0.7719652), wk = 0.0034014 k( 219) = ( 0.2083333 0.2374349 0.7862608), wk = 0.0034014 k( 220) = ( 0.2166667 0.2258194 0.8005565), wk = 0.0034014 k( 221) = ( 0.2250000 0.2142038 0.8148522), wk = 0.0034014 k( 222) = ( 0.2333333 0.2025883 0.8291478), wk = 0.0034014 k( 223) = ( 0.2416667 0.1909727 0.8434435), wk = 0.0034014 k( 224) = ( 0.2500000 0.1793571 0.8577391), wk = 0.0034014 k( 225) = ( 0.2500000 0.1793571 0.8577391), wk = 0.0034014 k( 226) = ( 0.2631579 0.1887970 0.8461212), wk = 0.0034014 k( 227) = ( 0.2763158 0.1982368 0.8345032), wk = 0.0034014 k( 228) = ( 0.2894737 0.2076767 0.8228853), wk = 0.0034014 k( 229) = ( 0.3026316 0.2171165 0.8112674), wk = 0.0034014 k( 230) = ( 0.3157895 0.2265564 0.7996494), wk = 0.0034014 k( 231) = ( 0.3289474 0.2359962 0.7880315), wk = 0.0034014 k( 232) = ( 0.3421053 0.2454361 0.7764136), wk = 0.0034014 k( 233) = ( 0.3552632 0.2548759 0.7647956), wk = 0.0034014 k( 234) = ( 0.3684211 0.2643158 0.7531777), wk = 0.0034014 k( 235) = ( 0.3815789 0.2737556 0.7415598), wk = 0.0034014 k( 236) = ( 0.3947368 0.2831955 0.7299418), wk = 0.0034014 k( 237) = ( 0.4078947 0.2926353 0.7183239), wk = 0.0034014 k( 238) = ( 0.4210526 0.3020752 0.7067060), wk = 0.0034014 k( 239) = ( 0.4342105 0.3115150 0.6950880), wk = 0.0034014 k( 240) = ( 0.4473684 0.3209549 0.6834701), wk = 0.0034014 k( 241) = ( 0.4605263 0.3303947 0.6718522), wk = 0.0034014 k( 242) = ( 0.4736842 0.3398346 0.6602342), wk = 0.0034014 k( 243) = ( 0.4868421 0.3492744 0.6486163), wk = 0.0034014 k( 244) = ( 0.5000000 0.3587143 0.6369984), wk = 0.0034014 k( 245) = ( 0.5000000 0.3587143 0.6369984), wk = 0.0034014 k( 246) = ( 0.5000000 0.3587143 0.6170922), wk = 0.0034014 k( 247) = ( 0.5000000 0.3587143 0.5971860), wk = 0.0034014 k( 248) = ( 0.5000000 0.3587143 0.5772798), wk = 0.0034014 k( 249) = ( 0.5000000 0.3587143 0.5573736), wk = 0.0034014 k( 250) = ( 0.5000000 0.3587143 0.5374674), wk = 0.0034014 k( 251) = ( 0.5000000 0.3587143 0.5175612), wk = 0.0034014 k( 252) = ( 0.5000000 0.3587143 0.4976550), wk = 0.0034014 k( 253) = ( 0.5000000 0.3587143 0.4777488), wk = 0.0034014 k( 254) = ( 0.5000000 0.3587143 0.4578426), wk = 0.0034014 k( 255) = ( 0.5000000 0.3587143 0.4379364), wk = 0.0034014 k( 256) = ( 0.5000000 0.3587143 0.4180302), wk = 0.0034014 k( 257) = ( 0.5000000 0.3587143 0.3981240), wk = 0.0034014 k( 258) = ( 0.5000000 0.3587143 0.3782178), wk = 0.0034014 k( 259) = ( 0.5000000 0.3587143 0.3583116), wk = 0.0034014 k( 260) = ( 0.5000000 0.3587143 0.3384054), wk = 0.0034014 k( 261) = ( 0.5000000 0.3587143 0.3184992), wk = 0.0034014 k( 262) = ( 0.5000000 0.3587143 0.2985930), wk = 0.0034014 k( 263) = ( 0.5000000 0.3587143 0.2786868), wk = 0.0034014 k( 264) = ( 0.5000000 0.3587143 0.2587806), wk = 0.0034014 k( 265) = ( 0.5000000 0.3587143 0.2388744), wk = 0.0034014 k( 266) = ( 0.5000000 0.3587143 0.2189682), wk = 0.0034014 k( 267) = ( 0.5000000 0.3587143 0.1990620), wk = 0.0034014 k( 268) = ( 0.5000000 0.3587143 0.1791558), wk = 0.0034014 k( 269) = ( 0.5000000 0.3587143 0.1592496), wk = 0.0034014 k( 270) = ( 0.5000000 0.3587143 0.1393434), wk = 0.0034014 k( 271) = ( 0.5000000 0.3587143 0.1194372), wk = 0.0034014 k( 272) = ( 0.5000000 0.3587143 0.0995310), wk = 0.0034014 k( 273) = ( 0.5000000 0.3587143 0.0796248), wk = 0.0034014 k( 274) = ( 0.5000000 0.3587143 0.0597186), wk = 0.0034014 k( 275) = ( 0.5000000 0.3587143 0.0398124), wk = 0.0034014 k( 276) = ( 0.5000000 0.3587143 0.0199062), wk = 0.0034014 k( 277) = ( 0.5000000 0.3587143 0.0000000), wk = 0.0034014 k( 278) = ( 0.0000000 0.0000000 0.8577391), wk = 0.0034014 k( 279) = ( 0.0156250 0.0112098 0.8577391), wk = 0.0034014 k( 280) = ( 0.0312500 0.0224196 0.8577391), wk = 0.0034014 k( 281) = ( 0.0468750 0.0336295 0.8577391), wk = 0.0034014 k( 282) = ( 0.0625000 0.0448393 0.8577391), wk = 0.0034014 k( 283) = ( 0.0781250 0.0560491 0.8577391), wk = 0.0034014 k( 284) = ( 0.0937500 0.0672589 0.8577391), wk = 0.0034014 k( 285) = ( 0.1093750 0.0784687 0.8577391), wk = 0.0034014 k( 286) = ( 0.1250000 0.0896786 0.8577391), wk = 0.0034014 k( 287) = ( 0.1406250 0.1008884 0.8577391), wk = 0.0034014 k( 288) = ( 0.1562500 0.1120982 0.8577391), wk = 0.0034014 k( 289) = ( 0.1718750 0.1233080 0.8577391), wk = 0.0034014 k( 290) = ( 0.1875000 0.1345178 0.8577391), wk = 0.0034014 k( 291) = ( 0.2031250 0.1457277 0.8577391), wk = 0.0034014 k( 292) = ( 0.2187500 0.1569375 0.8577391), wk = 0.0034014 k( 293) = ( 0.2343750 0.1681473 0.8577391), wk = 0.0034014 k( 294) = ( 0.2500000 0.1793571 0.8577391), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0000000 0.0116279), wk = 0.0034014 k( 3) = ( 0.0000000 0.0000000 0.0232558), wk = 0.0034014 k( 4) = ( 0.0000000 0.0000000 0.0348837), wk = 0.0034014 k( 5) = ( 0.0000000 0.0000000 0.0465116), wk = 0.0034014 k( 6) = ( 0.0000000 0.0000000 0.0581395), wk = 0.0034014 k( 7) = ( 0.0000000 0.0000000 0.0697674), wk = 0.0034014 k( 8) = ( 0.0000000 0.0000000 0.0813953), wk = 0.0034014 k( 9) = ( 0.0000000 0.0000000 0.0930233), wk = 0.0034014 k( 10) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0034014 k( 11) = ( 0.0000000 0.0000000 0.1162791), wk = 0.0034014 k( 12) = ( 0.0000000 0.0000000 0.1279070), wk = 0.0034014 k( 13) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0034014 k( 14) = ( 0.0000000 0.0000000 0.1511628), wk = 0.0034014 k( 15) = ( 0.0000000 0.0000000 0.1627907), wk = 0.0034014 k( 16) = ( 0.0000000 0.0000000 0.1744186), wk = 0.0034014 k( 17) = ( 0.0000000 0.0000000 0.1860465), wk = 0.0034014 k( 18) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0034014 k( 19) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0034014 k( 20) = ( 0.0000000 0.0000000 0.2209302), wk = 0.0034014 k( 21) = ( 0.0000000 0.0000000 0.2325581), wk = 0.0034014 k( 22) = ( 0.0000000 0.0000000 0.2441860), wk = 0.0034014 k( 23) = ( 0.0000000 0.0000000 0.2558140), wk = 0.0034014 k( 24) = ( 0.0000000 0.0000000 0.2674419), wk = 0.0034014 k( 25) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0034014 k( 26) = ( 0.0000000 0.0000000 0.2906977), wk = 0.0034014 k( 27) = ( 0.0000000 0.0000000 0.3023256), wk = 0.0034014 k( 28) = ( 0.0000000 0.0000000 0.3139535), wk = 0.0034014 k( 29) = ( 0.0000000 0.0000000 0.3255814), wk = 0.0034014 k( 30) = ( 0.0000000 0.0000000 0.3372093), wk = 0.0034014 k( 31) = ( 0.0000000 0.0000000 0.3488372), wk = 0.0034014 k( 32) = ( 0.0000000 0.0000000 0.3604651), wk = 0.0034014 k( 33) = ( 0.0000000 0.0000000 0.3720930), wk = 0.0034014 k( 34) = ( 0.0000000 0.0000000 0.3837209), wk = 0.0034014 k( 35) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0034014 k( 36) = ( 0.0000000 0.0000000 0.4069767), wk = 0.0034014 k( 37) = ( 0.0000000 0.0000000 0.4186047), wk = 0.0034014 k( 38) = ( 0.0000000 0.0000000 0.4302326), wk = 0.0034014 k( 39) = ( 0.0000000 0.0000000 0.4418605), wk = 0.0034014 k( 40) = ( 0.0000000 0.0000000 0.4534884), wk = 0.0034014 k( 41) = ( 0.0000000 0.0000000 0.4651163), wk = 0.0034014 k( 42) = ( 0.0000000 0.0000000 0.4767442), wk = 0.0034014 k( 43) = ( 0.0000000 0.0000000 0.4883721), wk = 0.0034014 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 46) = ( -0.0116978 0.0116978 0.5000000), wk = 0.0034014 k( 47) = ( -0.0233956 0.0233956 0.5000000), wk = 0.0034014 k( 48) = ( -0.0350934 0.0350934 0.5000000), wk = 0.0034014 k( 49) = ( -0.0467912 0.0467912 0.5000000), wk = 0.0034014 k( 50) = ( -0.0584891 0.0584890 0.5000000), wk = 0.0034014 k( 51) = ( -0.0701869 0.0701869 0.5000000), wk = 0.0034014 k( 52) = ( -0.0818847 0.0818847 0.5000000), wk = 0.0034014 k( 53) = ( -0.0935825 0.0935825 0.5000000), wk = 0.0034014 k( 54) = ( -0.1052803 0.1052803 0.5000000), wk = 0.0034014 k( 55) = ( -0.1169781 0.1169781 0.5000000), wk = 0.0034014 k( 56) = ( -0.1286759 0.1286759 0.5000000), wk = 0.0034014 k( 57) = ( -0.1286759 0.1286759 0.5000000), wk = 0.0034014 k( 58) = ( -0.1367482 0.1367482 0.4919277), wk = 0.0034014 k( 59) = ( -0.1448204 0.1448204 0.4838555), wk = 0.0034014 k( 60) = ( -0.1528927 0.1528927 0.4757832), wk = 0.0034014 k( 61) = ( -0.1609650 0.1609650 0.4677110), wk = 0.0034014 k( 62) = ( -0.1690372 0.1690372 0.4596387), wk = 0.0034014 k( 63) = ( -0.1771095 0.1771095 0.4515664), wk = 0.0034014 k( 64) = ( -0.1851818 0.1851818 0.4434942), wk = 0.0034014 k( 65) = ( -0.1932540 0.1932540 0.4354219), wk = 0.0034014 k( 66) = ( -0.2013263 0.2013263 0.4273496), wk = 0.0034014 k( 67) = ( -0.2093985 0.2093985 0.4192774), wk = 0.0034014 k( 68) = ( -0.2174708 0.2174708 0.4112051), wk = 0.0034014 k( 69) = ( -0.2255431 0.2255431 0.4031328), wk = 0.0034014 k( 70) = ( -0.2336153 0.2336153 0.3950606), wk = 0.0034014 k( 71) = ( -0.2416876 0.2416876 0.3869883), wk = 0.0034014 k( 72) = ( -0.2497599 0.2497599 0.3789161), wk = 0.0034014 k( 73) = ( -0.2578321 0.2578321 0.3708438), wk = 0.0034014 k( 74) = ( -0.2659044 0.2659044 0.3627715), wk = 0.0034014 k( 75) = ( -0.2739766 0.2739766 0.3546993), wk = 0.0034014 k( 76) = ( -0.2820489 0.2820489 0.3466270), wk = 0.0034014 k( 77) = ( -0.2901212 0.2901212 0.3385547), wk = 0.0034014 k( 78) = ( -0.2981934 0.2981934 0.3304825), wk = 0.0034014 k( 79) = ( -0.3062657 0.3062657 0.3224102), wk = 0.0034014 k( 80) = ( -0.3143380 0.3143380 0.3143380), wk = 0.0034014 k( 81) = ( -0.3143380 0.3143380 0.3143380), wk = 0.0034014 k( 82) = ( -0.3060659 0.3060659 0.3060659), wk = 0.0034014 k( 83) = ( -0.2977939 0.2977939 0.2977939), wk = 0.0034014 k( 84) = ( -0.2895218 0.2895218 0.2895218), wk = 0.0034014 k( 85) = ( -0.2812498 0.2812498 0.2812498), wk = 0.0034014 k( 86) = ( -0.2729777 0.2729777 0.2729777), wk = 0.0034014 k( 87) = ( -0.2647057 0.2647057 0.2647056), wk = 0.0034014 k( 88) = ( -0.2564336 0.2564336 0.2564336), wk = 0.0034014 k( 89) = ( -0.2481616 0.2481615 0.2481616), wk = 0.0034014 k( 90) = ( -0.2398895 0.2398895 0.2398895), wk = 0.0034014 k( 91) = ( -0.2316174 0.2316174 0.2316174), wk = 0.0034014 k( 92) = ( -0.2233454 0.2233454 0.2233454), wk = 0.0034014 k( 93) = ( -0.2150733 0.2150733 0.2150733), wk = 0.0034014 k( 94) = ( -0.2068013 0.2068013 0.2068013), wk = 0.0034014 k( 95) = ( -0.1985292 0.1985292 0.1985292), wk = 0.0034014 k( 96) = ( -0.1902572 0.1902572 0.1902572), wk = 0.0034014 k( 97) = ( -0.1819851 0.1819851 0.1819851), wk = 0.0034014 k( 98) = ( -0.1737131 0.1737131 0.1737131), wk = 0.0034014 k( 99) = ( -0.1654410 0.1654410 0.1654410), wk = 0.0034014 k( 100) = ( -0.1571690 0.1571690 0.1571690), wk = 0.0034014 k( 101) = ( -0.1488969 0.1488969 0.1488969), wk = 0.0034014 k( 102) = ( -0.1406249 0.1406249 0.1406249), wk = 0.0034014 k( 103) = ( -0.1323528 0.1323528 0.1323528), wk = 0.0034014 k( 104) = ( -0.1240808 0.1240808 0.1240808), wk = 0.0034014 k( 105) = ( -0.1158087 0.1158087 0.1158087), wk = 0.0034014 k( 106) = ( -0.1075367 0.1075367 0.1075367), wk = 0.0034014 k( 107) = ( -0.0992646 0.0992646 0.0992646), wk = 0.0034014 k( 108) = ( -0.0909926 0.0909926 0.0909926), wk = 0.0034014 k( 109) = ( -0.0827205 0.0827205 0.0827205), wk = 0.0034014 k( 110) = ( -0.0744485 0.0744485 0.0744485), wk = 0.0034014 k( 111) = ( -0.0661764 0.0661764 0.0661764), wk = 0.0034014 k( 112) = ( -0.0579044 0.0579044 0.0579044), wk = 0.0034014 k( 113) = ( -0.0496323 0.0496323 0.0496323), wk = 0.0034014 k( 114) = ( -0.0413603 0.0413603 0.0413603), wk = 0.0034014 k( 115) = ( -0.0330882 0.0330882 0.0330882), wk = 0.0034014 k( 116) = ( -0.0248161 0.0248161 0.0248161), wk = 0.0034014 k( 117) = ( -0.0165441 0.0165441 0.0165441), wk = 0.0034014 k( 118) = ( -0.0082720 0.0082720 0.0082720), wk = 0.0034014 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 121) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0034014 k( 122) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0034014 k( 123) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0034014 k( 124) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0034014 k( 125) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0034014 k( 126) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0034014 k( 127) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0034014 k( 128) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0034014 k( 129) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0034014 k( 130) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0034014 k( 131) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0034014 k( 132) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0034014 k( 133) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0034014 k( 134) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0034014 k( 135) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0034014 k( 136) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0034014 k( 137) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0034014 k( 138) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0034014 k( 139) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0034014 k( 140) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0034014 k( 141) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0034014 k( 142) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0034014 k( 143) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0034014 k( 144) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0034014 k( 145) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0034014 k( 146) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0034014 k( 147) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0034014 k( 148) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0034014 k( 149) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0034014 k( 150) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0034014 k( 151) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034014 k( 152) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034014 k( 153) = ( 0.4919277 0.5080723 -0.4919277), wk = 0.0034014 k( 154) = ( 0.4838555 0.5161445 -0.4838555), wk = 0.0034014 k( 155) = ( 0.4757832 0.5242168 -0.4757832), wk = 0.0034014 k( 156) = ( 0.4677110 0.5322891 -0.4677110), wk = 0.0034014 k( 157) = ( 0.4596387 0.5403613 -0.4596387), wk = 0.0034014 k( 158) = ( 0.4515664 0.5484336 -0.4515664), wk = 0.0034014 k( 159) = ( 0.4434942 0.5565058 -0.4434942), wk = 0.0034014 k( 160) = ( 0.4354219 0.5645781 -0.4354219), wk = 0.0034014 k( 161) = ( 0.4273496 0.5726504 -0.4273496), wk = 0.0034014 k( 162) = ( 0.4192774 0.5807226 -0.4192774), wk = 0.0034014 k( 163) = ( 0.4112051 0.5887949 -0.4112051), wk = 0.0034014 k( 164) = ( 0.4031328 0.5968672 -0.4031329), wk = 0.0034014 k( 165) = ( 0.3950606 0.6049394 -0.3950606), wk = 0.0034014 k( 166) = ( 0.3869883 0.6130117 -0.3869883), wk = 0.0034014 k( 167) = ( 0.3789161 0.6210839 -0.3789161), wk = 0.0034014 k( 168) = ( 0.3708438 0.6291562 -0.3708438), wk = 0.0034014 k( 169) = ( 0.3627715 0.6372285 -0.3627715), wk = 0.0034014 k( 170) = ( 0.3546993 0.6453007 -0.3546993), wk = 0.0034014 k( 171) = ( 0.3466270 0.6533730 -0.3466270), wk = 0.0034014 k( 172) = ( 0.3385548 0.6614452 -0.3385548), wk = 0.0034014 k( 173) = ( 0.3304825 0.6695175 -0.3304825), wk = 0.0034014 k( 174) = ( 0.3224102 0.6775898 -0.3224102), wk = 0.0034014 k( 175) = ( 0.3143380 0.6856620 -0.3143380), wk = 0.0034014 k( 176) = ( 0.3143380 0.6856620 -0.3143380), wk = 0.0034014 k( 177) = ( 0.2958475 0.6747407 -0.2958475), wk = 0.0034014 k( 178) = ( 0.2773570 0.6638194 -0.2773570), wk = 0.0034014 k( 179) = ( 0.2588665 0.6528981 -0.2588665), wk = 0.0034014 k( 180) = ( 0.2403761 0.6419769 -0.2403761), wk = 0.0034014 k( 181) = ( 0.2218856 0.6310556 -0.2218856), wk = 0.0034014 k( 182) = ( 0.2033951 0.6201343 -0.2033952), wk = 0.0034014 k( 183) = ( 0.1849047 0.6092130 -0.1849047), wk = 0.0034014 k( 184) = ( 0.1664142 0.5982917 -0.1664142), wk = 0.0034014 k( 185) = ( 0.1479237 0.5873704 -0.1479237), wk = 0.0034014 k( 186) = ( 0.1294333 0.5764491 -0.1294333), wk = 0.0034014 k( 187) = ( 0.1109428 0.5655278 -0.1109428), wk = 0.0034014 k( 188) = ( 0.0924523 0.5546065 -0.0924523), wk = 0.0034014 k( 189) = ( 0.0739619 0.5436852 -0.0739619), wk = 0.0034014 k( 190) = ( 0.0554714 0.5327639 -0.0554714), wk = 0.0034014 k( 191) = ( 0.0369809 0.5218426 -0.0369809), wk = 0.0034014 k( 192) = ( 0.0184905 0.5109213 -0.0184905), wk = 0.0034014 k( 193) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 194) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 195) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0034014 k( 196) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0034014 k( 197) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0034014 k( 198) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0034014 k( 199) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0034014 k( 200) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0034014 k( 201) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0034014 k( 202) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0034014 k( 203) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0034014 k( 204) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0034014 k( 205) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0034014 k( 206) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0034014 k( 207) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0034014 k( 208) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0034014 k( 209) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0034014 k( 210) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0034014 k( 211) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0034014 k( 212) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0034014 k( 213) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0034014 k( 214) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0034014 k( 215) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0034014 k( 216) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0034014 k( 217) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0034014 k( 218) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0034014 k( 219) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0034014 k( 220) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0034014 k( 221) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0034014 k( 222) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0034014 k( 223) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0034014 k( 224) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 225) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 226) = ( 0.2631579 0.2631579 0.2300697), wk = 0.0034014 k( 227) = ( 0.2763158 0.2763158 0.2101394), wk = 0.0034014 k( 228) = ( 0.2894737 0.2894737 0.1902091), wk = 0.0034014 k( 229) = ( 0.3026316 0.3026316 0.1702787), wk = 0.0034014 k( 230) = ( 0.3157895 0.3157895 0.1503484), wk = 0.0034014 k( 231) = ( 0.3289474 0.3289474 0.1304181), wk = 0.0034014 k( 232) = ( 0.3421053 0.3421053 0.1104878), wk = 0.0034014 k( 233) = ( 0.3552632 0.3552632 0.0905575), wk = 0.0034014 k( 234) = ( 0.3684211 0.3684210 0.0706272), wk = 0.0034014 k( 235) = ( 0.3815789 0.3815789 0.0506969), wk = 0.0034014 k( 236) = ( 0.3947368 0.3947368 0.0307666), wk = 0.0034014 k( 237) = ( 0.4078947 0.4078947 0.0108363), wk = 0.0034014 k( 238) = ( 0.4210526 0.4210526 -0.0090940), wk = 0.0034014 k( 239) = ( 0.4342105 0.4342105 -0.0290244), wk = 0.0034014 k( 240) = ( 0.4473684 0.4473684 -0.0489547), wk = 0.0034014 k( 241) = ( 0.4605263 0.4605263 -0.0688850), wk = 0.0034014 k( 242) = ( 0.4736842 0.4736842 -0.0888153), wk = 0.0034014 k( 243) = ( 0.4868421 0.4868421 -0.1087456), wk = 0.0034014 k( 244) = ( 0.5000000 0.5000000 -0.1286759), wk = 0.0034014 k( 245) = ( 0.5000000 0.5000000 -0.1286759), wk = 0.0034014 k( 246) = ( 0.5000000 0.5000000 -0.1402798), wk = 0.0034014 k( 247) = ( 0.5000000 0.5000000 -0.1518837), wk = 0.0034014 k( 248) = ( 0.5000000 0.5000000 -0.1634875), wk = 0.0034014 k( 249) = ( 0.5000000 0.5000000 -0.1750914), wk = 0.0034014 k( 250) = ( 0.5000000 0.5000000 -0.1866953), wk = 0.0034014 k( 251) = ( 0.5000000 0.5000000 -0.1982992), wk = 0.0034014 k( 252) = ( 0.5000000 0.5000000 -0.2099031), wk = 0.0034014 k( 253) = ( 0.5000000 0.5000000 -0.2215069), wk = 0.0034014 k( 254) = ( 0.5000000 0.5000000 -0.2331108), wk = 0.0034014 k( 255) = ( 0.5000000 0.5000000 -0.2447147), wk = 0.0034014 k( 256) = ( 0.5000000 0.5000000 -0.2563186), wk = 0.0034014 k( 257) = ( 0.5000000 0.5000000 -0.2679224), wk = 0.0034014 k( 258) = ( 0.5000000 0.5000000 -0.2795263), wk = 0.0034014 k( 259) = ( 0.5000000 0.5000000 -0.2911302), wk = 0.0034014 k( 260) = ( 0.5000000 0.5000000 -0.3027341), wk = 0.0034014 k( 261) = ( 0.5000000 0.5000000 -0.3143380), wk = 0.0034014 k( 262) = ( 0.5000000 0.5000000 -0.3259418), wk = 0.0034014 k( 263) = ( 0.5000000 0.5000000 -0.3375457), wk = 0.0034014 k( 264) = ( 0.5000000 0.5000000 -0.3491496), wk = 0.0034014 k( 265) = ( 0.5000000 0.5000000 -0.3607535), wk = 0.0034014 k( 266) = ( 0.5000000 0.5000000 -0.3723573), wk = 0.0034014 k( 267) = ( 0.5000000 0.5000000 -0.3839612), wk = 0.0034014 k( 268) = ( 0.5000000 0.5000000 -0.3955651), wk = 0.0034014 k( 269) = ( 0.5000000 0.5000000 -0.4071690), wk = 0.0034014 k( 270) = ( 0.5000000 0.5000000 -0.4187729), wk = 0.0034014 k( 271) = ( 0.5000000 0.5000000 -0.4303767), wk = 0.0034014 k( 272) = ( 0.5000000 0.5000000 -0.4419806), wk = 0.0034014 k( 273) = ( 0.5000000 0.5000000 -0.4535845), wk = 0.0034014 k( 274) = ( 0.5000000 0.5000000 -0.4651884), wk = 0.0034014 k( 275) = ( 0.5000000 0.5000000 -0.4767922), wk = 0.0034014 k( 276) = ( 0.5000000 0.5000000 -0.4883961), wk = 0.0034014 k( 277) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034014 k( 278) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 279) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0034014 k( 280) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0034014 k( 281) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0034014 k( 282) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0034014 k( 283) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0034014 k( 284) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0034014 k( 285) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0034014 k( 286) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034014 k( 287) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0034014 k( 288) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0034014 k( 289) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0034014 k( 290) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0034014 k( 291) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0034014 k( 292) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0034014 k( 293) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0034014 k( 294) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 Dense grid: 60861 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 41431 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 308, 74) NL pseudopotentials 0.64 Mb ( 154, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1691) G-vector shells 0.01 Mb ( 786) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.39 Mb ( 308, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.61 Mb ( 272, 2, 74) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./FeCuS2.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 11.9 secs Computing kpt #: 9 total cpu time spent up to now is 13.0 secs Computing kpt #: 10 total cpu time spent up to now is 14.1 secs Computing kpt #: 11 total cpu time spent up to now is 15.2 secs Computing kpt #: 12 total cpu time spent up to now is 16.2 secs Computing kpt #: 13 total cpu time spent up to now is 17.3 secs Computing kpt #: 14 total cpu time spent up to now is 18.4 secs Computing kpt #: 15 total cpu time spent up to now is 19.4 secs Computing kpt #: 16 total cpu time spent up to now is 20.5 secs Computing kpt #: 17 total cpu time spent up to now is 21.5 secs Computing kpt #: 18 total cpu time spent up to now is 22.7 secs Computing kpt #: 19 total cpu time spent up to now is 23.8 secs Computing kpt #: 20 total cpu time spent up to now is 24.9 secs Computing kpt #: 21 total cpu time spent up to now is 26.0 secs Computing kpt #: 22 total cpu time spent up to now is 27.1 secs Computing kpt #: 23 total cpu time spent up to now is 28.3 secs Computing kpt #: 24 total cpu time spent up to now is 29.4 secs Computing kpt #: 25 total cpu time spent up to now is 30.5 secs Computing kpt #: 26 total cpu time spent up to now is 31.7 secs Computing kpt #: 27 total cpu time spent up to now is 32.9 secs Computing kpt #: 28 total cpu time spent up to now is 34.1 secs Computing kpt #: 29 total cpu time spent up to now is 35.5 secs Computing kpt #: 30 total cpu time spent up to now is 36.9 secs Computing kpt #: 31 total cpu time spent up to now is 38.3 secs Computing kpt #: 32 total cpu time spent up to now is 39.7 secs Computing kpt #: 33 total cpu time spent up to now is 41.1 secs Computing kpt #: 34 total cpu time spent up to now is 42.6 secs Computing kpt #: 35 total cpu time spent up to now is 44.0 secs Computing kpt #: 36 total cpu time spent up to now is 45.4 secs Computing kpt #: 37 total cpu time spent up to now is 46.8 secs Computing kpt #: 38 total cpu time spent up to now is 48.2 secs Computing kpt #: 39 total cpu time spent up to now is 49.6 secs Computing kpt #: 40 total cpu time spent up to now is 51.0 secs Computing kpt #: 41 total cpu time spent up to now is 52.4 secs Computing kpt #: 42 total cpu time spent up to now is 53.8 secs Computing kpt #: 43 total cpu time spent up to now is 55.2 secs Computing kpt #: 44 total cpu time spent up to now is 56.7 secs Computing kpt #: 45 total cpu time spent up to now is 58.2 secs Computing kpt #: 46 total cpu time spent up to now is 59.6 secs Computing kpt #: 47 total cpu time spent up to now is 61.1 secs Computing kpt #: 48 total cpu time spent up to now is 62.7 secs Computing kpt #: 49 total cpu time spent up to now is 64.2 secs Computing kpt #: 50 total cpu time spent up to now is 65.7 secs Computing kpt #: 51 total cpu time spent up to now is 67.3 secs Computing kpt #: 52 total cpu time spent up to now is 68.9 secs Computing kpt #: 53 total cpu time spent up to now is 70.4 secs Computing kpt #: 54 total cpu time spent up to now is 71.9 secs Computing kpt #: 55 total cpu time spent up to now is 73.4 secs Computing kpt #: 56 total cpu time spent up to now is 74.9 secs Computing kpt #: 57 total cpu time spent up to now is 76.5 secs Computing kpt #: 58 total cpu time spent up to now is 78.0 secs Computing kpt #: 59 total cpu time spent up to now is 79.8 secs Computing kpt #: 60 total cpu time spent up to now is 82.5 secs Computing kpt #: 61 total cpu time spent up to now is 84.1 secs Computing kpt #: 62 total cpu time spent up to now is 85.7 secs Computing kpt #: 63 total cpu time spent up to now is 87.3 secs Computing kpt #: 64 total cpu time spent up to now is 89.1 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.5 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.9 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.2 secs Computing kpt #: 68 total cpu time spent up to now is 101.9 secs Computing kpt #: 69 total cpu time spent up to now is 103.8 secs Computing kpt #: 70 total cpu time spent up to now is 105.7 secs Computing kpt #: 71 total cpu time spent up to now is 107.3 secs Computing kpt #: 72 total cpu time spent up to now is 108.9 secs Computing kpt #: 73 total cpu time spent up to now is 110.5 secs Computing kpt #: 74 total cpu time spent up to now is 112.1 secs Computing kpt #: 75 total cpu time spent up to now is 113.4 secs Computing kpt #: 76 total cpu time spent up to now is 114.9 secs Computing kpt #: 77 total cpu time spent up to now is 116.3 secs Computing kpt #: 78 total cpu time spent up to now is 117.7 secs Computing kpt #: 79 total cpu time spent up to now is 119.1 secs Computing kpt #: 80 total cpu time spent up to now is 120.6 secs Computing kpt #: 81 total cpu time spent up to now is 122.0 secs Computing kpt #: 82 total cpu time spent up to now is 123.3 secs Computing kpt #: 83 total cpu time spent up to now is 124.8 secs Computing kpt #: 84 total cpu time spent up to now is 126.2 secs Computing kpt #: 85 total cpu time spent up to now is 127.6 secs Computing kpt #: 86 total cpu time spent up to now is 129.0 secs Computing kpt #: 87 total cpu time spent up to now is 130.4 secs Computing kpt #: 88 total cpu time spent up to now is 131.8 secs Computing kpt #: 89 total cpu time spent up to now is 133.2 secs Computing kpt #: 90 total cpu time spent up to now is 134.6 secs Computing kpt #: 91 total cpu time spent up to now is 136.0 secs Computing kpt #: 92 total cpu time spent up to now is 137.3 secs Computing kpt #: 93 total cpu time spent up to now is 138.7 secs Computing kpt #: 94 total cpu time spent up to now is 139.9 secs Computing kpt #: 95 total cpu time spent up to now is 141.2 secs Computing kpt #: 96 total cpu time spent up to now is 142.4 secs Computing kpt #: 97 total cpu time spent up to now is 143.5 secs Computing kpt #: 98 total cpu time spent up to now is 144.7 secs Computing kpt #: 99 total cpu time spent up to now is 145.9 secs Computing kpt #: 100 total cpu time spent up to now is 147.1 secs Computing kpt #: 101 total cpu time spent up to now is 148.2 secs Computing kpt #: 102 total cpu time spent up to now is 149.3 secs Computing kpt #: 103 total cpu time spent up to now is 150.5 secs Computing kpt #: 104 total cpu time spent up to now is 151.5 secs Computing kpt #: 105 total cpu time spent up to now is 152.7 secs Computing kpt #: 106 total cpu time spent up to now is 153.7 secs Computing kpt #: 107 total cpu time spent up to now is 154.9 secs Computing kpt #: 108 total cpu time spent up to now is 155.9 secs Computing kpt #: 109 total cpu time spent up to now is 157.0 secs Computing kpt #: 110 total cpu time spent up to now is 158.1 secs Computing kpt #: 111 total cpu time spent up to now is 159.2 secs Computing kpt #: 112 total cpu time spent up to now is 160.3 secs Computing kpt #: 113 total cpu time spent up to now is 161.4 secs Computing kpt #: 114 total cpu time spent up to now is 162.5 secs Computing kpt #: 115 total cpu time spent up to now is 163.5 secs Computing kpt #: 116 total cpu time spent up to now is 164.6 secs Computing kpt #: 117 total cpu time spent up to now is 165.7 secs Computing kpt #: 118 total cpu time spent up to now is 166.7 secs Computing kpt #: 119 total cpu time spent up to now is 167.8 secs Computing kpt #: 120 total cpu time spent up to now is 168.9 secs Computing kpt #: 121 total cpu time spent up to now is 170.0 secs Computing kpt #: 122 total cpu time spent up to now is 171.1 secs Computing kpt #: 123 total cpu time spent up to now is 172.2 secs Computing kpt #: 124 total cpu time spent up to now is 173.3 secs Computing kpt #: 125 total cpu time spent up to now is 174.4 secs Computing kpt #: 126 total cpu time spent up to now is 175.5 secs Computing kpt #: 127 total cpu time spent up to now is 176.7 secs Computing kpt #: 128 total cpu time spent up to now is 177.7 secs Computing kpt #: 129 total cpu time spent up to now is 178.8 secs Computing kpt #: 130 total cpu time spent up to now is 180.0 secs Computing kpt #: 131 total cpu time spent up to now is 181.1 secs Computing kpt #: 132 total cpu time spent up to now is 182.3 secs Computing kpt #: 133 total cpu time spent up to now is 183.4 secs Computing kpt #: 134 total cpu time spent up to now is 184.5 secs Computing kpt #: 135 total cpu time spent up to now is 185.6 secs Computing kpt #: 136 total cpu time spent up to now is 186.7 secs Computing kpt #: 137 total cpu time spent up to now is 187.9 secs Computing kpt #: 138 total cpu time spent up to now is 189.1 secs Computing kpt #: 139 total cpu time spent up to now is 190.3 secs Computing kpt #: 140 total cpu time spent up to now is 192.1 secs Computing kpt #: 141 total cpu time spent up to now is 193.6 secs Computing kpt #: 142 total cpu time spent up to now is 196.4 secs Computing kpt #: 143 total cpu time spent up to now is 198.7 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.9 secs Computing kpt #: 145 total cpu time spent up to now is 203.7 secs Computing kpt #: 146 total cpu time spent up to now is 205.6 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.8 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.0 secs Computing kpt #: 149 total cpu time spent up to now is 214.8 secs Computing kpt #: 150 total cpu time spent up to now is 216.4 secs Computing kpt #: 151 total cpu time spent up to now is 217.8 secs Computing kpt #: 152 total cpu time spent up to now is 219.2 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.4 secs Computing kpt #: 154 total cpu time spent up to now is 224.0 secs Computing kpt #: 155 total cpu time spent up to now is 226.1 secs Computing kpt #: 156 total cpu time spent up to now is 227.6 secs Computing kpt #: 157 total cpu time spent up to now is 229.1 secs Computing kpt #: 158 total cpu time spent up to now is 230.5 secs Computing kpt #: 159 total cpu time spent up to now is 231.9 secs Computing kpt #: 160 total cpu time spent up to now is 233.4 secs Computing kpt #: 161 total cpu time spent up to now is 234.9 secs Computing kpt #: 162 total cpu time spent up to now is 236.3 secs Computing kpt #: 163 total cpu time spent up to now is 237.7 secs Computing kpt #: 164 total cpu time spent up to now is 239.2 secs Computing kpt #: 165 total cpu time spent up to now is 240.6 secs Computing kpt #: 166 total cpu time spent up to now is 242.0 secs Computing kpt #: 167 total cpu time spent up to now is 243.5 secs Computing kpt #: 168 total cpu time spent up to now is 244.9 secs Computing kpt #: 169 total cpu time spent up to now is 246.3 secs Computing kpt #: 170 total cpu time spent up to now is 247.7 secs Computing kpt #: 171 total cpu time spent up to now is 249.1 secs Computing kpt #: 172 total cpu time spent up to now is 250.5 secs Computing kpt #: 173 total cpu time spent up to now is 252.0 secs Computing kpt #: 174 total cpu time spent up to now is 253.4 secs Computing kpt #: 175 total cpu time spent up to now is 254.8 secs Computing kpt #: 176 total cpu time spent up to now is 256.2 secs Computing kpt #: 177 total cpu time spent up to now is 257.6 secs Computing kpt #: 178 total cpu time spent up to now is 259.1 secs Computing kpt #: 179 total cpu time spent up to now is 260.5 secs Computing kpt #: 180 total cpu time spent up to now is 261.9 secs Computing kpt #: 181 total cpu time spent up to now is 263.3 secs Computing kpt #: 182 total cpu time spent up to now is 264.7 secs Computing kpt #: 183 total cpu time spent up to now is 266.1 secs Computing kpt #: 184 total cpu time spent up to now is 267.5 secs Computing kpt #: 185 total cpu time spent up to now is 269.0 secs Computing kpt #: 186 total cpu time spent up to now is 270.5 secs Computing kpt #: 187 total cpu time spent up to now is 271.9 secs Computing kpt #: 188 total cpu time spent up to now is 273.5 secs Computing kpt #: 189 total cpu time spent up to now is 275.0 secs Computing kpt #: 190 total cpu time spent up to now is 276.6 secs Computing kpt #: 191 total cpu time spent up to now is 278.1 secs Computing kpt #: 192 total cpu time spent up to now is 279.7 secs Computing kpt #: 193 total cpu time spent up to now is 281.4 secs Computing kpt #: 194 total cpu time spent up to now is 283.0 secs Computing kpt #: 195 total cpu time spent up to now is 284.6 secs Computing kpt #: 196 total cpu time spent up to now is 286.5 secs Computing kpt #: 197 total cpu time spent up to now is 288.0 secs Computing kpt #: 198 total cpu time spent up to now is 289.4 secs Computing kpt #: 199 total cpu time spent up to now is 290.9 secs Computing kpt #: 200 total cpu time spent up to now is 292.3 secs Computing kpt #: 201 total cpu time spent up to now is 293.6 secs Computing kpt #: 202 total cpu time spent up to now is 295.0 secs Computing kpt #: 203 total cpu time spent up to now is 296.4 secs Computing kpt #: 204 total cpu time spent up to now is 297.8 secs Computing kpt #: 205 total cpu time spent up to now is 299.1 secs Computing kpt #: 206 total cpu time spent up to now is 300.4 secs Computing kpt #: 207 total cpu time spent up to now is 301.6 secs Computing kpt #: 208 total cpu time spent up to now is 302.9 secs Computing kpt #: 209 total cpu time spent up to now is 304.1 secs Computing kpt #: 210 total cpu time spent up to now is 305.3 secs Computing kpt #: 211 total cpu time spent up to now is 306.5 secs Computing kpt #: 212 total cpu time spent up to now is 307.7 secs Computing kpt #: 213 total cpu time spent up to now is 308.9 secs Computing kpt #: 214 total cpu time spent up to now is 310.1 secs Computing kpt #: 215 total cpu time spent up to now is 311.3 secs Computing kpt #: 216 total cpu time spent up to now is 312.5 secs Computing kpt #: 217 total cpu time spent up to now is 313.7 secs Computing kpt #: 218 total cpu time spent up to now is 314.9 secs Computing kpt #: 219 total cpu time spent up to now is 316.1 secs Computing kpt #: 220 total cpu time spent up to now is 317.3 secs Computing kpt #: 221 total cpu time spent up to now is 318.7 secs Computing kpt #: 222 total cpu time spent up to now is 320.0 secs Computing kpt #: 223 total cpu time spent up to now is 321.5 secs Computing kpt #: 224 total cpu time spent up to now is 323.1 secs Computing kpt #: 225 total cpu time spent up to now is 324.6 secs Computing kpt #: 226 total cpu time spent up to now is 326.0 secs Computing kpt #: 227 total cpu time spent up to now is 327.5 secs Computing kpt #: 228 total cpu time spent up to now is 328.8 secs Computing kpt #: 229 total cpu time spent up to now is 330.2 secs Computing kpt #: 230 total cpu time spent up to now is 331.5 secs Computing kpt #: 231 total cpu time spent up to now is 332.7 secs Computing kpt #: 232 total cpu time spent up to now is 333.9 secs Computing kpt #: 233 total cpu time spent up to now is 335.1 secs Computing kpt #: 234 total cpu time spent up to now is 336.3 secs Computing kpt #: 235 total cpu time spent up to now is 337.5 secs Computing kpt #: 236 total cpu time spent up to now is 338.7 secs Computing kpt #: 237 total cpu time spent up to now is 339.9 secs Computing kpt #: 238 total cpu time spent up to now is 341.1 secs Computing kpt #: 239 total cpu time spent up to now is 342.3 secs Computing kpt #: 240 total cpu time spent up to now is 343.5 secs Computing kpt #: 241 total cpu time spent up to now is 344.7 secs Computing kpt #: 242 total cpu time spent up to now is 346.2 secs Computing kpt #: 243 total cpu time spent up to now is 347.4 secs Computing kpt #: 244 total cpu time spent up to now is 349.0 secs Computing kpt #: 245 total cpu time spent up to now is 350.6 secs Computing kpt #: 246 total cpu time spent up to now is 352.2 secs Computing kpt #: 247 total cpu time spent up to now is 353.7 secs Computing kpt #: 248 total cpu time spent up to now is 355.3 secs Computing kpt #: 249 total cpu time spent up to now is 356.9 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.1 secs Computing kpt #: 251 total cpu time spent up to now is 361.9 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.1 secs Computing kpt #: 253 total cpu time spent up to now is 367.7 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.0 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.3 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.6 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.9 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 384.2 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.5 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 390.7 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 394.1 secs Computing kpt #: 262 total cpu time spent up to now is 396.7 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.1 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 403.4 secs Computing kpt #: 265 total cpu time spent up to now is 405.8 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 409.1 secs Computing kpt #: 267 total cpu time spent up to now is 411.8 secs Computing kpt #: 268 total cpu time spent up to now is 414.6 secs Computing kpt #: 269 total cpu time spent up to now is 416.4 secs Computing kpt #: 270 total cpu time spent up to now is 418.1 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 421.3 secs Computing kpt #: 272 total cpu time spent up to now is 423.2 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 426.4 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 429.7 secs Computing kpt #: 275 total cpu time spent up to now is 432.3 secs Computing kpt #: 276 total cpu time spent up to now is 433.8 secs Computing kpt #: 277 total cpu time spent up to now is 435.3 secs Computing kpt #: 278 total cpu time spent up to now is 436.8 secs Computing kpt #: 279 total cpu time spent up to now is 438.3 secs Computing kpt #: 280 total cpu time spent up to now is 439.8 secs Computing kpt #: 281 total cpu time spent up to now is 441.3 secs Computing kpt #: 282 total cpu time spent up to now is 442.9 secs Computing kpt #: 283 total cpu time spent up to now is 444.4 secs Computing kpt #: 284 total cpu time spent up to now is 446.0 secs Computing kpt #: 285 total cpu time spent up to now is 447.5 secs Computing kpt #: 286 total cpu time spent up to now is 449.1 secs Computing kpt #: 287 total cpu time spent up to now is 450.6 secs Computing kpt #: 288 total cpu time spent up to now is 452.2 secs Computing kpt #: 289 total cpu time spent up to now is 453.8 secs Computing kpt #: 290 total cpu time spent up to now is 456.5 secs Computing kpt #: 291 total cpu time spent up to now is 458.1 secs Computing kpt #: 292 total cpu time spent up to now is 459.8 secs Computing kpt #: 293 total cpu time spent up to now is 461.3 secs Computing kpt #: 294 total cpu time spent up to now is 462.9 secs ethr = 1.61E-08, avg # of iterations = 33.1 total cpu time spent up to now is 462.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5157 PWs) bands (ev): -7.1885 -7.1885 -5.9218 -5.9218 -5.9141 -5.9141 -5.8978 -5.8978 1.2012 1.2012 2.0528 2.0528 2.0808 2.0808 2.0853 2.0853 2.0959 2.0959 2.7520 2.7520 2.7696 2.7696 2.8123 2.8123 3.1080 3.1080 3.1430 3.1430 3.3142 3.3142 3.3177 3.3177 4.2447 4.2447 4.4056 4.4056 4.5646 4.5646 4.5967 4.5967 4.7035 4.7035 4.7152 4.7152 4.7367 4.7367 5.2721 5.2721 5.2988 5.2988 5.3902 5.3902 5.7616 5.7616 6.1864 6.1864 6.2389 6.2389 6.5367 6.5367 6.5722 6.5722 6.8123 6.8123 6.8808 6.8808 8.6458 8.6458 8.6552 8.6552 8.7082 8.7082 9.7882 9.7882 k = 0.0000 0.0000 0.0199 ( 5155 PWs) bands (ev): -7.1878 -7.1878 -5.9223 -5.9223 -5.9146 -5.9146 -5.8980 -5.8976 1.2020 1.2024 2.0517 2.0527 2.0809 2.0813 2.0850 2.0854 2.0952 2.0964 2.7512 2.7516 2.7682 2.7702 2.8112 2.8134 3.1072 3.1075 3.1407 3.1440 3.3131 3.3140 3.3166 3.3175 4.2422 4.2479 4.4024 4.4088 4.5591 4.5692 4.5950 4.5990 4.7022 4.7050 4.7134 4.7171 4.7333 4.7418 5.2706 5.2732 5.2963 5.3029 5.3883 5.3939 5.7625 5.7633 6.1859 6.1880 6.2345 6.2449 6.5302 6.5409 6.5675 6.5753 6.8116 6.8162 6.8821 6.8826 8.6415 8.6434 8.6502 8.6524 8.7058 8.7065 9.7956 9.7957 k = 0.0000 0.0000 0.0399 ( 5143 PWs) bands (ev): -7.1857 -7.1857 -5.9236 -5.9236 -5.9159 -5.9159 -5.8982 -5.8974 1.2048 1.2057 2.0488 2.0506 2.0817 2.0817 2.0834 2.0838 2.0963 2.0982 2.7495 2.7496 2.7668 2.7698 2.8105 2.8145 3.1051 3.1059 3.1373 3.1438 3.3100 3.3125 3.3151 3.3162 4.2402 4.2515 4.3993 4.4119 4.5530 4.5722 4.5937 4.6025 4.7015 4.7068 4.7110 4.7194 4.7318 4.7478 5.2686 5.2736 5.2953 5.3088 5.3881 5.3997 5.7660 5.7675 6.1864 6.1906 6.2317 6.2522 6.5218 6.5427 6.5616 6.5767 6.8144 6.8227 6.8862 6.8875 8.6233 8.6273 8.6456 8.6494 8.6996 8.7007 9.8173 9.8176 k = 0.0000 0.0000 0.0598 ( 5147 PWs) bands (ev): -7.1821 -7.1821 -5.9259 -5.9259 -5.9182 -5.9182 -5.8984 -5.8973 1.2096 1.2110 2.0428 2.0453 2.0755 2.0756 2.0864 2.0874 2.1015 2.1035 2.7450 2.7463 2.7663 2.7688 2.8101 2.8156 3.1015 3.1028 3.1329 3.1423 3.3047 3.3088 3.3137 3.3145 4.2388 4.2556 4.3964 4.4147 4.5470 4.5732 4.5925 4.6071 4.7012 4.7080 4.7087 4.7224 4.7323 4.7543 5.2659 5.2734 5.2959 5.3162 5.3902 5.4078 5.7719 5.7740 6.1879 6.1942 6.2307 6.2609 6.5115 6.5418 6.5548 6.5767 6.8207 6.8312 6.8929 6.8954 8.5921 8.5977 8.6418 8.6475 8.6892 8.6906 9.8521 9.8523 k = 0.0000 0.0000 0.0798 ( 5139 PWs) bands (ev): -7.1771 -7.1771 -5.9290 -5.9290 -5.9214 -5.9214 -5.8987 -5.8971 1.2165 1.2183 2.0334 2.0361 2.0647 2.0653 2.0936 2.0944 2.1097 2.1119 2.7377 2.7409 2.7670 2.7679 2.8102 2.8167 3.0960 3.0980 3.1278 3.1398 3.2976 3.3025 3.3121 3.3129 4.2381 4.2601 4.3938 4.4173 4.5411 4.5724 4.5912 4.6125 4.7018 4.7045 4.7108 4.7263 4.7343 4.7607 5.2625 5.2729 5.2982 5.3245 5.3954 5.4187 5.7801 5.7824 6.1906 6.1986 6.2317 6.2710 6.4996 6.5380 6.5477 6.5757 6.8304 6.8412 6.9019 6.9061 8.5516 8.5583 8.6372 8.6451 8.6748 8.6766 9.8980 9.8981 k = 0.0000 0.0000 0.0997 ( 5129 PWs) bands (ev): -7.1708 -7.1708 -5.9330 -5.9329 -5.9254 -5.9254 -5.8989 -5.8970 1.2253 1.2276 2.0205 2.0234 2.0507 2.0519 2.1038 2.1044 2.1206 2.1230 2.7279 2.7327 2.7675 2.7684 2.8105 2.8176 3.0882 3.0909 3.1224 3.1364 3.2892 3.2942 3.3101 3.3111 4.2379 4.2649 4.3916 4.4195 4.5356 4.5701 4.5900 4.6182 4.7006 4.7035 4.7131 4.7311 4.7375 4.7667 5.2588 5.2722 5.3025 5.3332 5.4045 5.4326 5.7902 5.7924 6.1944 6.2039 6.2348 6.2825 6.4866 6.5315 6.5406 6.5743 6.8429 6.8526 6.9131 6.9194 8.5037 8.5114 8.6308 8.6417 8.6562 8.6592 9.9528 9.9530 k = 0.0000 0.0000 0.1197 ( 5135 PWs) bands (ev): -7.1630 -7.1630 -5.9378 -5.9378 -5.9302 -5.9302 -5.8992 -5.8969 1.2361 1.2389 2.0045 2.0076 2.0339 2.0356 2.1168 2.1171 2.1339 2.1365 2.7158 2.7218 2.7679 2.7706 2.8112 2.8186 3.0777 3.0812 3.1170 3.1323 3.2798 3.2842 3.3077 3.3090 4.2382 4.2699 4.3898 4.4213 4.5303 4.5664 4.5886 4.6236 4.6963 4.7064 4.7154 4.7366 4.7416 4.7721 5.2551 5.2716 5.3084 5.3417 5.4179 5.4493 5.8019 5.8038 6.1993 6.2101 6.2403 6.2953 6.4728 6.5228 6.5335 6.5725 6.8578 6.8651 6.9262 6.9347 8.4505 8.4589 8.6203 8.6330 8.6380 8.6409 10.0148 10.0153 k = 0.0000 0.0000 0.1396 ( 5139 PWs) bands (ev): -7.1539 -7.1539 -5.9434 -5.9434 -5.9359 -5.9359 -5.8996 -5.8969 1.2488 1.2520 1.9858 1.9891 2.0147 2.0167 2.1321 2.1322 2.1496 2.1523 2.7014 2.7082 2.7689 2.7732 2.8122 2.8197 3.0638 3.0684 3.1118 3.1278 3.2697 3.2726 3.3049 3.3066 4.2389 4.2751 4.3885 4.4227 4.5254 4.5616 4.5872 4.6286 4.6914 4.7106 4.7176 4.7428 4.7466 4.7767 5.2524 5.2716 5.3159 5.3503 5.4355 5.4688 5.8150 5.8163 6.2053 6.2171 6.2481 6.3097 6.4589 6.5127 6.5264 6.5704 6.8745 6.8787 6.9408 6.9518 8.3933 8.4024 8.6001 8.6065 8.6274 8.6326 10.0825 10.0835 k = 0.0000 0.0000 0.1596 ( 5143 PWs) bands (ev): -7.1435 -7.1434 -5.9498 -5.9497 -5.9423 -5.9423 -5.9000 -5.8970 1.2633 1.2671 1.9646 1.9682 1.9931 1.9956 2.1497 2.1497 2.1673 2.1703 2.6850 2.6921 2.7704 2.7762 2.8134 2.8208 3.0464 3.0523 3.1067 3.1231 3.2593 3.2601 3.3018 3.3038 4.2402 4.2804 4.3877 4.4238 4.5208 4.5556 4.5857 4.6328 4.6859 4.7162 4.7195 4.7496 4.7524 4.7808 5.2513 5.2725 5.3247 5.3592 5.4566 5.4908 5.8291 5.8296 6.2123 6.2250 6.2584 6.3255 6.4453 6.5019 6.5195 6.5679 6.8927 6.8935 6.9568 6.9702 8.3335 8.3432 8.5715 8.5759 8.6177 8.6265 10.1548 10.1562 k = 0.0000 0.0000 0.1795 ( 5147 PWs) bands (ev): -7.1317 -7.1316 -5.9569 -5.9568 -5.9495 -5.9495 -5.9006 -5.8972 1.2797 1.2839 1.9411 1.9451 1.9696 1.9725 2.1693 2.1694 2.1872 2.1904 2.6667 2.6739 2.7723 2.7795 2.8147 2.8220 3.0250 3.0328 3.1017 3.1183 3.2468 3.2488 3.2984 3.3007 4.2418 4.2858 4.3875 4.4246 4.5165 4.5487 4.5843 4.6364 4.6800 4.7208 4.7232 4.7569 4.7591 4.7848 5.2522 5.2746 5.3346 5.3688 5.4805 5.5149 5.8435 5.8440 6.2203 6.2338 6.2712 6.3427 6.4328 6.4911 6.5128 6.5649 6.9094 6.9121 6.9741 6.9896 8.2722 8.2823 8.5379 8.5416 8.6083 8.6194 10.2306 10.2326 k = 0.0000 0.0000 0.1995 ( 5151 PWs) bands (ev): -7.1185 -7.1185 -5.9647 -5.9646 -5.9573 -5.9573 -5.9013 -5.8975 1.2977 1.3024 1.9157 1.9200 1.9444 1.9476 2.1908 2.1909 2.2090 2.2123 2.6464 2.6535 2.7746 2.7832 2.8163 2.8234 2.9998 3.0097 3.0967 3.1133 3.2333 3.2385 3.2947 3.2974 4.2437 4.2911 4.3879 4.4249 4.5124 4.5407 4.5828 4.6389 4.6740 4.7211 4.7314 4.7645 4.7667 4.7894 5.2552 5.2780 5.3453 5.3790 5.5065 5.5409 5.8579 5.8594 6.2289 6.2434 6.2866 6.3607 6.4226 6.4810 6.5061 6.5614 6.9263 6.9324 6.9923 7.0098 8.2102 8.2207 8.5004 8.5038 8.5984 8.6114 10.3093 10.3118 k = 0.0000 0.0000 0.2194 ( 5147 PWs) bands (ev): -7.1042 -7.1040 -5.9731 -5.9730 -5.9658 -5.9658 -5.9022 -5.8981 1.3174 1.3225 1.8887 1.8933 1.9178 1.9214 2.2141 2.2143 2.2325 2.2360 2.6243 2.6311 2.7773 2.7872 2.8182 2.8249 2.9708 2.9829 3.0916 3.1083 3.2199 3.2284 3.2907 3.2937 4.2459 4.2963 4.3888 4.4249 4.5086 4.5319 4.5812 4.6401 4.6687 4.7203 4.7409 4.7723 4.7750 4.7952 5.2603 5.2828 5.3566 5.3900 5.5343 5.5683 5.8726 5.8752 6.2377 6.2532 6.3047 6.3771 6.4180 6.4723 6.4997 6.5575 6.9444 6.9535 7.0114 7.0306 8.1480 8.1588 8.4595 8.4627 8.5879 8.6025 10.3903 10.3933 k = 0.0000 0.0000 0.2394 ( 5147 PWs) bands (ev): -7.0885 -7.0884 -5.9820 -5.9820 -5.9749 -5.9748 -5.9033 -5.8989 1.3386 1.3441 1.8602 1.8651 1.8902 1.8941 2.2391 2.2392 2.2577 2.2614 2.6003 2.6069 2.7801 2.7914 2.8201 2.8264 2.9381 2.9524 3.0864 3.1030 3.2070 3.2186 3.2864 3.2897 4.2482 4.3015 4.3903 4.4244 4.5051 4.5224 4.5797 4.6392 4.6650 4.7185 4.7517 4.7805 4.7841 4.8026 5.2673 5.2887 5.3683 5.4017 5.5631 5.5966 5.8876 5.8912 6.2458 6.2626 6.3256 6.3855 6.4265 6.4660 6.4935 6.5531 6.9634 6.9751 7.0312 7.0517 8.0864 8.0973 8.4156 8.4186 8.5764 8.5925 10.4731 10.4767 k = 0.0000 0.0000 0.2593 ( 5151 PWs) bands (ev): -7.0716 -7.0714 -5.9915 -5.9914 -5.9845 -5.9844 -5.9046 -5.8999 1.3610 1.3670 1.8305 1.8357 1.8621 1.8661 2.2654 2.2655 2.2843 2.2881 2.5747 2.5809 2.7831 2.7957 2.8221 2.8279 2.9021 2.9183 3.0810 3.0977 3.1946 3.2092 3.2819 3.2854 4.2507 4.3065 4.3923 4.4234 4.5021 4.5124 4.5780 4.6360 4.6633 4.7159 4.7637 4.7892 4.7938 4.8115 5.2757 5.2956 5.3803 5.4140 5.5927 5.6256 5.9026 5.9073 6.2522 6.2709 6.3493 6.3876 6.4473 6.4632 6.4879 6.5482 6.9833 6.9971 7.0516 7.0728 8.0257 8.0366 8.3689 8.3717 8.5639 8.5815 10.5573 10.5614 k = 0.0000 0.0000 0.2793 ( 5155 PWs) bands (ev): -7.0536 -7.0533 -6.0015 -6.0014 -5.9945 -5.9945 -5.9062 -5.9013 1.3845 1.3909 1.7999 1.8054 1.8338 1.8379 2.2929 2.2931 2.3122 2.3161 2.5476 2.5534 2.7860 2.7998 2.8242 2.8295 2.8636 2.8811 3.0755 3.0922 3.1829 3.2001 3.2771 3.2809 4.2533 4.3114 4.3948 4.4219 4.4996 4.5022 4.5764 4.6312 4.6633 4.7130 4.7770 4.7987 4.8042 4.8217 5.2853 5.3031 5.3923 5.4266 5.6227 5.6549 5.9177 5.9233 6.2558 6.2771 6.3758 6.3913 6.4648 6.4710 6.4858 6.5428 7.0041 7.0193 7.0724 7.0939 7.9663 7.9772 8.3199 8.3226 8.5505 8.5694 10.6428 10.6473 k = 0.0000 0.0000 0.2992 ( 5163 PWs) bands (ev): -7.0344 -7.0341 -6.0118 -6.0117 -6.0050 -6.0049 -5.9082 -5.9030 1.4088 1.4154 1.7685 1.7742 1.8059 1.8099 2.3213 2.3218 2.3412 2.3451 2.5192 2.5245 2.7883 2.8008 2.8242 2.8258 2.8322 2.8422 3.0700 3.0866 3.1719 3.1913 3.2722 3.2761 4.2559 4.3161 4.3976 4.4197 4.4922 4.4979 4.5749 4.6257 4.6642 4.7101 4.7915 4.8091 4.8151 4.8329 5.2956 5.3110 5.4041 5.4394 5.6528 5.6841 5.9328 5.9392 6.2559 6.2804 6.3992 6.4045 6.4720 6.4742 6.5084 6.5370 7.0257 7.0416 7.0935 7.1146 7.9088 7.9195 8.2691 8.2715 8.5361 8.5563 10.7292 10.7341 k = 0.0000 0.0000 0.3192 ( 5175 PWs) bands (ev): -7.0141 -7.0137 -6.0225 -6.0224 -6.0158 -6.0157 -5.9105 -5.9051 1.4331 1.4399 1.7366 1.7425 1.7792 1.7829 2.3503 2.3512 2.3710 2.3747 2.4899 2.4945 2.7722 2.7831 2.8056 2.8140 2.8299 2.8331 3.0643 3.0809 3.1617 3.1828 3.2671 3.2711 4.2585 4.3207 4.4008 4.4170 4.4825 4.4970 4.5735 4.6200 4.6653 4.7075 4.8072 4.8206 4.8263 4.8448 5.3062 5.3191 5.4156 5.4522 5.6827 5.7129 5.9478 5.9550 6.2531 6.2809 6.4108 6.4346 6.4714 6.4857 6.5308 6.5414 7.0480 7.0637 7.1148 7.1347 7.8535 7.8638 8.2169 8.2190 8.5207 8.5421 10.8163 10.8215 k = 0.0000 0.0000 0.3391 ( 5175 PWs) bands (ev): -6.9927 -6.9923 -6.0335 -6.0334 -6.0269 -6.0268 -5.9133 -5.9076 1.4567 1.4633 1.7045 1.7104 1.7548 1.7579 2.3794 2.3807 2.4015 2.4041 2.4610 2.4642 2.7272 2.7461 2.8006 2.8177 2.8321 2.8347 3.0586 3.0751 3.1521 3.1747 3.2619 3.2658 4.2611 4.3251 4.4044 4.4136 4.4736 4.4970 4.5726 4.6147 4.6667 4.7053 4.8242 4.8332 4.8380 4.8575 5.3169 5.3271 5.4266 5.4648 5.7121 5.7409 5.9628 5.9707 6.2483 6.2789 6.4228 6.4641 6.4720 6.5072 6.5242 6.5775 7.0708 7.0853 7.1362 7.1539 7.8010 7.8106 8.1638 8.1656 8.5043 8.5268 10.9039 10.9094 k = 0.0000 0.0000 0.3591 ( 5175 PWs) bands (ev): -6.9703 -6.9698 -6.0446 -6.0445 -6.0382 -6.0381 -5.9165 -5.9106 1.4780 1.4841 1.6722 1.6782 1.7346 1.7364 2.4038 2.4046 2.4239 2.4296 2.4406 2.4472 2.6796 2.6996 2.8031 2.8224 2.8347 2.8364 3.0528 3.0692 3.1432 3.1668 3.2566 3.2604 4.2636 4.3294 4.4082 4.4098 4.4655 4.4979 4.5722 4.6097 4.6679 4.7037 4.8424 4.8470 4.8500 4.8706 5.3275 5.3349 5.4370 5.4770 5.7409 5.7680 5.9778 5.9863 6.2427 6.2752 6.4299 6.4809 6.4908 6.5173 6.5374 6.6160 7.0940 7.1058 7.1577 7.1718 7.7517 7.7604 8.1105 8.1120 8.4868 8.5105 10.9917 10.9974 k = 0.0000 0.0000 0.3790 ( 5171 PWs) bands (ev): -6.9470 -6.9464 -6.0559 -6.0558 -6.0497 -6.0496 -5.9203 -5.9142 1.4947 1.4995 1.6400 1.6460 1.7210 1.7212 2.3866 2.3908 2.4465 2.4466 2.4651 2.4722 2.6308 2.6509 2.8063 2.8270 2.8374 2.8382 3.0470 3.0632 3.1348 3.1592 3.2511 3.2547 4.2661 4.3335 4.4057 4.4122 4.4587 4.4996 4.5726 4.6054 4.6690 4.7026 4.8614 4.8620 4.8626 4.8841 5.3376 5.3424 5.4466 5.4887 5.7688 5.7937 5.9928 6.0018 6.2369 6.2705 6.4301 6.4990 6.5090 6.5163 6.5747 6.6568 7.1171 7.1246 7.1794 7.1879 7.7062 7.7138 8.0576 8.0588 8.4684 8.4931 11.0796 11.0853 k = 0.0000 0.0000 0.3989 ( 5171 PWs) bands (ev): -6.9227 -6.9220 -6.0673 -6.0672 -6.0613 -6.0611 -5.9246 -5.9183 1.5038 1.5066 1.6081 1.6139 1.7148 1.7178 2.3548 2.3591 2.4747 2.4765 2.4960 2.5023 2.5817 2.6016 2.8097 2.8311 2.8404 2.8406 3.0411 3.0572 3.1270 3.1519 3.2455 3.2488 4.2684 4.3375 4.4013 4.4162 4.4531 4.5021 4.5739 4.6017 4.6701 4.7017 4.8744 4.8779 4.8823 4.8980 5.3472 5.3494 5.4552 5.4996 5.7954 5.8178 6.0077 6.0172 6.2318 6.2655 6.4266 6.5020 6.5222 6.5391 6.6166 6.6996 7.1397 7.1408 7.2014 7.2021 7.6653 7.6715 8.0059 8.0070 8.4489 8.4746 11.1672 11.1728 k = 0.0000 0.0000 0.4189 ( 5175 PWs) bands (ev): -6.8976 -6.8968 -6.0787 -6.0786 -6.0729 -6.0727 -5.9296 -5.9231 1.5031 1.5037 1.5765 1.5822 1.7198 1.7260 2.3213 2.3254 2.5022 2.5059 2.5216 2.5240 2.5447 2.5562 2.8130 2.8340 2.8435 2.8441 3.0353 3.0511 3.1198 3.1450 3.2399 3.2428 4.2706 4.3412 4.3968 4.4200 4.4490 4.5052 4.5764 4.5987 4.6709 4.7011 4.8867 4.8947 4.9036 4.9122 5.3560 5.3562 5.4628 5.5096 5.8206 5.8400 6.0225 6.0327 6.2275 6.2608 6.4216 6.4942 6.5476 6.5616 6.6616 6.7441 7.1533 7.1603 7.2147 7.2237 7.6297 7.6342 7.9563 7.9573 8.4285 8.4551 11.2541 11.2595 k = 0.0000 0.0000 0.4388 ( 5169 PWs) bands (ev): -6.8716 -6.8708 -6.0901 -6.0900 -6.0844 -6.0843 -5.9352 -5.9286 1.4920 1.4931 1.5455 1.5511 1.7357 1.7447 2.2871 2.2910 2.4768 2.4917 2.5372 2.5381 2.5629 2.5686 2.8163 2.8358 2.8468 2.8486 3.0294 3.0450 3.1131 3.1384 3.2342 3.2366 4.2727 4.3448 4.3923 4.4235 4.4467 4.5088 4.5802 4.5966 4.6716 4.7007 4.8989 4.9121 4.9259 4.9271 5.3621 5.3646 5.4693 5.5186 5.8438 5.8599 6.0373 6.0481 6.2246 6.2568 6.4161 6.4862 6.5736 6.5832 6.7090 6.7903 7.1614 7.1763 7.2274 7.2466 7.6002 7.6027 7.9096 7.9109 8.4071 8.4345 11.3398 11.3448 k = 0.0000 0.0000 0.4588 ( 5171 PWs) bands (ev): -6.8450 -6.8440 -6.1014 -6.1012 -6.0959 -6.0958 -5.9415 -5.9348 1.4743 1.4765 1.5152 1.5205 1.7596 1.7709 2.2527 2.2565 2.4278 2.4437 2.5638 2.5673 2.5925 2.5991 2.8195 2.8368 2.8504 2.8536 3.0235 3.0388 3.1070 3.1323 3.2285 3.2303 4.2747 4.3481 4.3878 4.4263 4.4465 4.5128 4.5855 4.5955 4.6723 4.7003 4.9110 4.9290 4.9431 4.9489 5.3677 5.3722 5.4746 5.5265 5.8646 5.8773 6.0518 6.0636 6.2231 6.2537 6.4106 6.4781 6.5993 6.6033 6.7580 6.8377 7.1643 7.1839 7.2431 7.2698 7.5774 7.5774 7.8670 7.8689 8.3848 8.4130 11.4236 11.4279 k = 0.0000 0.0000 0.4787 ( 5181 PWs) bands (ev): -6.8176 -6.8165 -6.1125 -6.1124 -6.1073 -6.1071 -5.9486 -5.9418 1.4532 1.4560 1.4857 1.4908 1.7889 1.8021 2.2182 2.2220 2.3791 2.3942 2.5902 2.5957 2.6226 2.6295 2.8228 2.8375 2.8542 2.8589 3.0175 3.0325 3.1013 3.1265 3.2226 3.2238 4.2765 4.3512 4.3833 4.4280 4.4482 4.5170 4.5925 4.5955 4.6729 4.7000 4.9228 4.9446 4.9612 4.9725 5.3728 5.3791 5.4788 5.5331 5.8825 5.8919 6.0659 6.0791 6.2228 6.2516 6.4052 6.4699 6.6215 6.6237 6.8085 6.8864 7.1619 7.1821 7.2625 7.2932 7.5584 7.5614 7.8292 7.8324 8.3615 8.3905 11.5043 11.5078 k = 0.0000 0.0000 0.4987 ( 5181 PWs) bands (ev): -6.7897 -6.7884 -6.1235 -6.1232 -6.1184 -6.1182 -5.9565 -5.9497 1.4306 1.4335 1.4571 1.4619 1.8213 1.8364 2.1840 2.1878 2.3316 2.3453 2.6151 2.6225 2.6521 2.6593 2.8263 2.8382 2.8583 2.8642 3.0116 3.0262 3.0963 3.1212 3.2168 3.2172 4.2783 4.3540 4.3789 4.4292 4.4517 4.5216 4.5967 4.6011 4.6736 4.6997 4.9342 4.9588 4.9813 4.9967 5.3776 5.3853 5.4819 5.5386 5.8969 5.9033 6.0794 6.0947 6.2235 6.2504 6.4003 6.4619 6.6377 6.6465 6.8600 6.9359 7.1546 7.1730 7.2842 7.3164 7.5453 7.5520 7.7975 7.8026 8.3375 8.3671 11.5804 11.5828 k = 0.0000 0.0000 0.5186 ( 5181 PWs) bands (ev): -6.7612 -6.7598 -6.1341 -6.1339 -6.1293 -6.1290 -5.9653 -5.9584 1.4073 1.4103 1.4295 1.4341 1.8555 1.8726 2.1503 2.1541 2.2861 2.2978 2.6376 2.6474 2.6808 2.6882 2.8303 2.8392 2.8629 2.8696 3.0057 3.0199 3.0917 3.1164 3.2105 3.2110 4.2800 4.3566 4.3745 4.4300 4.4562 4.5264 4.5991 4.6115 4.6745 4.6994 4.9451 4.9717 5.0029 5.0213 5.3820 5.3909 5.4838 5.5427 5.9074 5.9116 6.0921 6.1103 6.2246 6.2498 6.3960 6.4541 6.6520 6.6674 6.9121 6.9861 7.1430 7.1588 7.3066 7.3394 7.5369 7.5483 7.7724 7.7802 8.3127 8.3429 11.6492 11.6502 k = 0.0000 0.0000 0.5386 ( 5187 PWs) bands (ev): -6.7322 -6.7307 -6.1444 -6.1442 -6.1398 -6.1396 -5.9749 -5.9680 1.3840 1.3870 1.4030 1.4073 1.8902 1.9098 2.1172 2.1212 2.2433 2.2524 2.6572 2.6696 2.7083 2.7161 2.8350 2.8408 2.8678 2.8750 2.9998 3.0135 3.0877 3.1121 3.2037 3.2052 4.2816 4.3591 4.3702 4.4306 4.4614 4.5314 4.6027 4.6235 4.6759 4.6991 4.9554 4.9836 5.0256 5.0462 5.3862 5.3958 5.4848 5.5456 5.9135 5.9165 6.1039 6.1258 6.2251 6.2492 6.3926 6.4467 6.6648 6.6861 6.9644 7.0365 7.1282 7.1416 7.3289 7.3620 7.5326 7.5494 7.7544 7.7654 8.2873 8.3180 11.7062 11.7069 k = 0.0000 0.0000 0.5585 ( 5191 PWs) bands (ev): -6.7028 -6.7011 -6.1544 -6.1541 -6.1500 -6.1498 -5.9855 -5.9786 1.3613 1.3641 1.3776 1.3817 1.9239 1.9469 2.0850 2.0891 2.2044 2.2098 2.6733 2.6884 2.7346 2.7429 2.8406 2.8434 2.8733 2.8804 2.9939 3.0071 3.0842 3.1083 3.1968 3.1994 4.2831 4.3614 4.3660 4.4311 4.4670 4.5366 4.6071 4.6368 4.6782 4.6990 4.9651 4.9946 5.0490 5.0713 5.3902 5.4001 5.4848 5.5473 5.9148 5.9179 6.1147 6.1412 6.2244 6.2480 6.3902 6.4398 6.6767 6.7030 7.0164 7.0867 7.1114 7.1232 7.3509 7.3840 7.5319 7.5545 7.7435 7.7579 8.2613 8.2924 11.7455 11.7480 k = 0.0000 0.0000 0.5785 ( 5183 PWs) bands (ev): -6.6731 -6.6713 -6.1639 -6.1636 -6.1598 -6.1595 -5.9970 -5.9901 1.3394 1.3420 1.3536 1.3575 1.9541 1.9822 2.0538 2.0580 2.1718 2.1719 2.6855 2.7032 2.7594 2.7684 2.8473 2.8475 2.8794 2.8858 2.9880 3.0008 3.0814 3.1053 3.1899 3.1936 4.2847 4.3619 4.3637 4.4312 4.4731 4.5421 4.6118 4.6508 4.6820 4.6998 4.9740 5.0046 5.0731 5.0964 5.3942 5.4040 5.4840 5.5479 5.9112 5.9158 6.1242 6.1563 6.2215 6.2457 6.3893 6.4338 6.6883 6.7181 7.0677 7.0938 7.1050 7.1365 7.3722 7.4055 7.5348 7.5630 7.7390 7.7567 8.2349 8.2663 11.7628 11.7667 k = 0.0000 0.0000 0.5984 ( 5183 PWs) bands (ev): -6.6432 -6.6411 -6.1730 -6.1727 -6.1691 -6.1688 -6.0095 -6.0027 1.3184 1.3209 1.3309 1.3345 1.9762 2.0110 2.0237 2.0283 2.1428 2.1502 2.6936 2.7132 2.7825 2.7925 2.8534 2.8550 2.8864 2.8913 2.9824 2.9946 3.0792 3.1028 3.1830 3.1880 4.2863 4.3578 4.3659 4.4310 4.4795 4.5478 4.6161 4.6638 4.6881 4.7029 4.9819 5.0135 5.0977 5.1214 5.3981 5.4074 5.4824 5.5472 5.9025 5.9098 6.1323 6.1708 6.2162 6.2420 6.3902 6.4289 6.6997 6.7314 7.0764 7.0885 7.1176 7.1850 7.3931 7.4265 7.5413 7.5746 7.7401 7.7608 8.2081 8.2397 11.7556 11.7602 k = 0.0000 0.0000 0.6184 ( 5193 PWs) bands (ev): -6.6130 -6.6108 -6.1816 -6.1812 -6.1780 -6.1776 -6.0230 -6.0163 1.2987 1.3009 1.3096 1.3130 1.9833 1.9950 1.9998 2.0224 2.1339 2.1461 2.6977 2.7182 2.8032 2.8150 2.8608 2.8634 2.8944 2.8972 2.9769 2.9884 3.0775 3.1009 3.1760 3.1823 4.2877 4.3538 4.3680 4.4304 4.4861 4.5536 4.6194 4.6727 4.6971 4.7116 4.9888 5.0212 5.1227 5.1463 5.4022 5.4104 5.4802 5.5454 5.8886 5.8997 6.1388 6.1845 6.2084 6.2371 6.3930 6.4254 6.7108 6.7424 7.0608 7.0752 7.1650 7.2311 7.4136 7.4472 7.5513 7.5887 7.7455 7.7687 8.1812 8.2130 11.7266 11.7310 k = 0.0000 0.0000 0.6383 ( 5197 PWs) bands (ev): -6.5828 -6.5804 -6.1896 -6.1892 -6.1863 -6.1859 -6.0376 -6.0309 1.2802 1.2822 1.2898 1.2929 1.9679 1.9731 1.9742 2.0098 2.1514 2.1609 2.6981 2.7186 2.8214 2.8359 2.8691 2.8724 2.9033 2.9036 2.9718 2.9826 3.0765 3.0997 3.1691 3.1768 4.2893 4.3498 4.3702 4.4293 4.4930 4.5596 4.6210 4.6760 4.7094 4.7268 4.9945 5.0276 5.1481 5.1710 5.4065 5.4130 5.4775 5.5425 5.8696 5.8851 6.1437 6.1968 6.1991 6.2313 6.3980 6.4238 6.7205 6.7502 7.0487 7.0668 7.2089 7.2737 7.4346 7.4683 7.5644 7.6050 7.7544 7.7796 8.1545 8.1863 11.6819 11.6857 k = 0.0000 0.0000 0.6583 ( 5194 PWs) bands (ev): -6.5526 -6.5500 -6.1970 -6.1966 -6.1940 -6.1935 -6.0531 -6.0466 1.2631 1.2648 1.2715 1.2744 1.9425 1.9481 1.9552 1.9857 2.1828 2.1881 2.6952 2.7148 2.8364 2.8550 2.8771 2.8820 2.9109 2.9128 2.9674 2.9771 3.0760 3.0992 3.1621 3.1714 4.2909 4.3459 4.3725 4.4278 4.5001 4.5658 4.6211 4.6759 4.7247 4.7465 4.9988 5.0326 5.1738 5.1954 5.4111 5.4154 5.4745 5.5387 5.8459 5.8658 6.1467 6.1892 6.2075 6.2253 6.4055 6.4246 6.7272 6.7536 7.0421 7.0649 7.2478 7.3108 7.4572 7.4903 7.5801 7.6228 7.7657 7.7925 8.1280 8.1597 11.6279 11.6309 k = 0.0000 0.0000 0.6782 ( 5186 PWs) bands (ev): -6.5225 -6.5196 -6.2039 -6.2034 -6.2011 -6.2006 -6.0697 -6.0633 1.2474 1.2490 1.2548 1.2574 1.9191 1.9251 1.9329 1.9594 2.2189 2.2212 2.6893 2.7076 2.8483 2.8723 2.8843 2.8918 2.9190 2.9223 2.9641 2.9721 3.0762 3.0993 3.1553 3.1661 4.2926 4.3421 4.3748 4.4259 4.5075 4.5723 4.6199 4.6741 4.7428 4.7686 5.0018 5.0360 5.2000 5.2195 5.4162 5.4177 5.4713 5.5340 5.8178 5.8416 6.1478 6.1798 6.2162 6.2199 6.4153 6.4280 6.7292 6.7514 7.0425 7.0705 7.2804 7.3403 7.4826 7.5140 7.5973 7.6414 7.7788 7.8069 8.1019 8.1335 11.5697 11.5719 k = 0.0000 0.0000 0.6982 ( 5194 PWs) bands (ev): -6.4924 -6.4894 -6.2101 -6.2095 -6.2076 -6.2070 -6.0874 -6.0811 1.2333 1.2346 1.2396 1.2421 1.8976 1.9041 1.9104 1.9339 2.2564 2.2567 2.6807 2.6973 2.8573 2.8871 2.8905 2.9008 2.9276 2.9312 2.9627 2.9678 3.0769 3.1001 3.1486 3.1609 4.2943 4.3383 4.3773 4.4236 4.5150 4.5788 4.6174 4.6712 4.7629 4.7921 5.0030 5.0376 5.2263 5.2433 5.4197 5.4218 5.4681 5.5284 5.7860 5.8128 6.1471 6.1719 6.2150 6.2226 6.4273 6.4344 6.7254 6.7435 7.0507 7.0836 7.3053 7.3611 7.5113 7.5398 7.6154 7.6600 7.7930 7.8221 8.0766 8.1080 11.5109 11.5125 k = 0.0000 0.0000 0.7181 ( 5188 PWs) bands (ev): -6.4627 -6.4594 -6.2156 -6.2150 -6.2133 -6.2127 -6.1061 -6.1000 1.2208 1.2219 1.2262 1.2284 1.8783 1.8854 1.8893 1.9105 2.2931 2.2940 2.6695 2.6842 2.8643 2.8947 2.9004 2.9074 2.9360 2.9395 2.9637 2.9646 3.0782 3.1015 3.1419 3.1558 4.2962 4.3347 4.3798 4.4212 4.5226 4.5855 4.6140 4.6677 4.7846 4.8164 5.0026 5.0374 5.2531 5.2669 5.4216 5.4280 5.4651 5.5221 5.7517 5.7801 6.1451 6.1659 6.2115 6.2266 6.4414 6.4440 6.7159 6.7306 7.0662 7.1031 7.3220 7.3733 7.5422 7.5675 7.6334 7.6779 7.8080 7.8378 8.0522 8.0833 11.4540 11.4551 k = 0.0000 0.0000 0.7381 ( 5182 PWs) bands (ev): -6.4332 -6.4297 -6.2205 -6.2199 -6.2184 -6.2177 -6.1257 -6.1198 1.2100 1.2108 1.2144 1.2164 1.8614 1.8690 1.8703 1.8896 2.3297 2.3310 2.6560 2.6687 2.8700 2.8989 2.9102 2.9105 2.9437 2.9475 2.9629 2.9670 3.0800 3.1035 3.1355 3.1509 4.2981 4.3311 4.3825 4.4184 4.5303 4.5922 4.6099 4.6637 4.8074 4.8412 5.0002 5.0352 5.2802 5.2903 5.4233 5.4347 5.4626 5.5152 5.7157 5.7442 6.1425 6.1612 6.2091 6.2285 6.4564 6.4574 6.7015 6.7138 7.0878 7.1274 7.3306 7.3781 7.5734 7.5964 7.6505 7.6942 7.8233 7.8537 8.0289 8.0597 11.4012 11.4020 k = 0.0000 0.0000 0.7580 ( 5194 PWs) bands (ev): -6.4041 -6.4004 -6.2248 -6.2241 -6.2227 -6.2220 -6.1463 -6.1406 1.2008 1.2014 1.2044 1.2061 1.8468 1.8538 1.8550 1.8716 2.3657 2.3673 2.6400 2.6507 2.8748 2.9024 2.9105 2.9167 2.9503 2.9555 2.9630 2.9712 3.0823 3.1060 3.1292 3.1460 4.3001 4.3277 4.3852 4.4155 4.5379 4.5989 4.6051 4.6591 4.8307 4.8658 4.9957 5.0308 5.3074 5.3135 5.4246 5.4416 5.4612 5.5078 5.6791 5.7062 6.1402 6.1572 6.2080 6.2285 6.4714 6.4750 6.6835 6.6941 7.1136 7.1550 7.3318 7.3765 7.6032 7.6250 7.6657 7.7081 7.8387 7.8695 8.0068 8.0374 11.3540 11.3546 k = 0.0000 0.0000 0.7779 ( 5188 PWs) bands (ev): -6.3756 -6.3716 -6.2284 -6.2279 -6.2261 -6.2254 -6.1677 -6.1623 1.1933 1.1937 1.1961 1.1976 1.8348 1.8400 1.8437 1.8564 2.4010 2.4024 2.6219 2.6306 2.8792 2.9055 2.9086 2.9199 2.9560 2.9630 2.9648 2.9754 3.0852 3.1089 3.1231 3.1413 4.3023 4.3244 4.3880 4.4126 4.5456 4.5999 4.6057 4.6543 4.8541 4.8900 4.9890 5.0242 5.3342 5.3368 5.4252 5.4482 5.4619 5.5009 5.6431 5.6671 6.1387 6.1536 6.2080 6.2273 6.4887 6.4941 6.6630 6.6727 7.1419 7.1844 7.3264 7.3695 7.6300 7.6520 7.6786 7.7192 7.8541 7.8852 7.9861 8.0165 11.3137 11.3143 k = 0.0000 0.0000 0.7979 ( 5188 PWs) bands (ev): -6.3476 -6.3434 -6.2316 -6.2315 -6.2286 -6.2281 -6.1897 -6.1846 1.1876 1.1878 1.1895 1.1908 1.8255 1.8291 1.8351 1.8443 2.4352 2.4361 2.6014 2.6083 2.8832 2.9056 2.9083 2.9206 2.9608 2.9672 2.9696 2.9788 3.0885 3.1122 3.1172 3.1367 4.3046 4.3212 4.3909 4.4095 4.5531 4.5942 4.6124 4.6491 4.8770 4.9133 4.9799 5.0152 5.3596 5.3599 5.4246 5.4521 5.4664 5.4967 5.6087 5.6279 6.1382 6.1502 6.2089 6.2250 6.5078 6.5144 6.6411 6.6502 7.1714 7.2143 7.3154 7.3576 7.6530 7.6761 7.6882 7.7267 7.8693 7.9006 7.9666 7.9970 11.2814 11.2822 k = 0.0000 0.0000 0.8178 ( 5192 PWs) bands (ev): -6.3203 -6.3159 -6.2360 -6.2353 -6.2302 -6.2299 -6.2109 -6.2068 1.1836 1.1837 1.1847 1.1858 1.8188 1.8212 1.8292 1.8352 2.4681 2.4682 2.5788 2.5839 2.8871 2.9021 2.9110 2.9198 2.9648 2.9691 2.9749 2.9810 3.0923 3.1116 3.1158 3.1323 4.3070 4.3181 4.3939 4.4064 4.5605 4.5881 4.6189 4.6435 4.8989 4.9353 4.9683 5.0038 5.3818 5.3825 5.4221 5.4495 5.4770 5.4991 5.5772 5.5897 6.1386 6.1470 6.2107 6.2221 6.5283 6.5357 6.6183 6.6270 7.2008 7.2438 7.2994 7.3414 7.6712 7.6942 7.6963 7.7301 7.8844 7.9157 7.9484 7.9790 11.2581 11.2590 k = 0.0000 0.0000 0.8378 ( 5186 PWs) bands (ev): -6.2938 -6.2893 -6.2473 -6.2439 -6.2308 -6.2306 -6.2255 -6.2240 1.1812 1.1815 1.1818 1.1826 1.8151 1.8162 1.8263 1.8292 2.4987 2.4996 2.5541 2.5576 2.8909 2.8985 2.9135 2.9181 2.9678 2.9699 2.9787 2.9818 3.0966 3.1062 3.1197 3.1279 4.3096 4.3152 4.3970 4.4033 4.5678 4.5816 4.6254 4.6377 4.9194 4.9543 4.9556 4.9901 5.3988 5.4040 5.4176 5.4392 5.4954 5.5098 5.5496 5.5538 6.1399 6.1442 6.2131 6.2191 6.5500 6.5579 6.5953 6.6038 7.2292 7.2719 7.2793 7.3214 7.6845 7.6958 7.7122 7.7290 7.8996 7.9308 7.9314 7.9621 11.2442 11.2454 k = 0.0000 0.0000 0.8577 ( 5192 PWs) bands (ev): -6.2688 -6.2688 -6.2642 -6.2642 -6.2299 -6.2299 -6.2297 -6.2297 1.1806 1.1806 1.1811 1.1811 1.8141 1.8141 1.8262 1.8262 2.5274 2.5274 2.5295 2.5295 2.8947 2.8947 2.9159 2.9159 2.9694 2.9694 2.9810 2.9810 3.1012 3.1012 3.1237 3.1237 4.3123 4.3123 4.4001 4.4001 4.5748 4.5748 4.6317 4.6317 4.9379 4.9379 4.9739 4.9739 5.4103 5.4103 5.4234 5.4234 5.5217 5.5217 5.5269 5.5269 6.1417 6.1417 6.2159 6.2159 6.5724 6.5724 6.5806 6.5806 7.2556 7.2556 7.2980 7.2980 7.6927 7.6927 7.7231 7.7231 7.9152 7.9152 7.9461 7.9461 11.2403 11.2403 k = 0.0000 0.0000 0.8577 ( 5192 PWs) bands (ev): -6.2688 -6.2688 -6.2642 -6.2642 -6.2299 -6.2299 -6.2297 -6.2297 1.1806 1.1806 1.1811 1.1811 1.8141 1.8141 1.8262 1.8262 2.5274 2.5274 2.5295 2.5295 2.8947 2.8947 2.9159 2.9159 2.9694 2.9694 2.9810 2.9810 3.1012 3.1012 3.1237 3.1237 4.3123 4.3123 4.4001 4.4001 4.5748 4.5748 4.6317 4.6317 4.9379 4.9379 4.9739 4.9739 5.4103 5.4103 5.4234 5.4234 5.5217 5.5217 5.5269 5.5269 6.1417 6.1417 6.2159 6.2159 6.5724 6.5724 6.5806 6.5806 7.2556 7.2556 7.2980 7.2980 7.6927 7.6927 7.7231 7.7231 7.9152 7.9152 7.9461 7.9461 11.2403 11.2403 k =-0.0117 0.0163 0.8577 ( 5196 PWs) bands (ev): -6.2684 -6.2684 -6.2639 -6.2639 -6.2304 -6.2304 -6.2301 -6.2301 1.1819 1.1819 1.1825 1.1825 1.8136 1.8136 1.8256 1.8256 2.5279 2.5279 2.5303 2.5303 2.8946 2.8946 2.9159 2.9159 2.9694 2.9694 2.9810 2.9810 3.1011 3.1011 3.1236 3.1236 4.3123 4.3123 4.4001 4.4001 4.5746 4.5746 4.6313 4.6313 4.9380 4.9380 4.9745 4.9745 5.4083 5.4083 5.4245 5.4245 5.5192 5.5192 5.5296 5.5296 6.1416 6.1416 6.2158 6.2158 6.5712 6.5712 6.5796 6.5796 7.2558 7.2558 7.2982 7.2982 7.6924 7.6924 7.7228 7.7228 7.9133 7.9133 7.9442 7.9442 11.2422 11.2422 k =-0.0234 0.0326 0.8577 ( 5202 PWs) bands (ev): -6.2674 -6.2674 -6.2629 -6.2629 -6.2318 -6.2318 -6.2314 -6.2314 1.1857 1.1857 1.1865 1.1865 1.8118 1.8118 1.8238 1.8238 2.5296 2.5296 2.5328 2.5328 2.8944 2.8944 2.9159 2.9159 2.9693 2.9693 2.9810 2.9810 3.1009 3.1009 3.1235 3.1235 4.3123 4.3123 4.4000 4.4000 4.5737 4.5737 4.6302 4.6302 4.9383 4.9383 4.9763 4.9763 5.4037 5.4037 5.4265 5.4265 5.5154 5.5154 5.5338 5.5338 6.1414 6.1414 6.2155 6.2155 6.5677 6.5677 6.5765 6.5765 7.2565 7.2565 7.2989 7.2989 7.6915 7.6915 7.7219 7.7219 7.9076 7.9076 7.9384 7.9384 11.2478 11.2478 k =-0.0351 0.0489 0.8577 ( 5208 PWs) bands (ev): -6.2658 -6.2658 -6.2614 -6.2614 -6.2341 -6.2341 -6.2335 -6.2335 1.1922 1.1922 1.1932 1.1932 1.8089 1.8089 1.8207 1.8207 2.5326 2.5326 2.5368 2.5368 2.8941 2.8941 2.9159 2.9159 2.9692 2.9692 2.9811 2.9811 3.1006 3.1006 3.1232 3.1232 4.3122 4.3122 4.3999 4.3999 4.5724 4.5724 4.6284 4.6284 4.9389 4.9389 4.9792 4.9792 5.3977 5.3977 5.4281 5.4281 5.5119 5.5119 5.5384 5.5384 6.1410 6.1410 6.2150 6.2150 6.5619 6.5619 6.5715 6.5715 7.2574 7.2574 7.2999 7.2999 7.6900 7.6900 7.7203 7.7203 7.8985 7.8985 7.9290 7.9290 11.2571 11.2571 k =-0.0468 0.0652 0.8577 ( 5200 PWs) bands (ev): -6.2638 -6.2638 -6.2597 -6.2597 -6.2369 -6.2369 -6.2360 -6.2360 1.2011 1.2011 1.2024 1.2024 1.8047 1.8047 1.8164 1.8164 2.5370 2.5370 2.5422 2.5422 2.8936 2.8936 2.9158 2.9159 2.9691 2.9691 2.9811 2.9811 3.1002 3.1002 3.1229 3.1229 4.3122 4.3122 4.3998 4.3998 4.5706 4.5706 4.6260 4.6260 4.9401 4.9401 4.9831 4.9831 5.3908 5.3908 5.4286 5.4286 5.5089 5.5089 5.5429 5.5429 6.1406 6.1406 6.2144 6.2144 6.5542 6.5542 6.5648 6.5648 7.2583 7.2583 7.3010 7.3010 7.6879 7.6879 7.7181 7.7181 7.8863 7.8863 7.9165 7.9165 11.2701 11.2701 k =-0.0585 0.0815 0.8577 ( 5190 PWs) bands (ev): -6.2620 -6.2620 -6.2585 -6.2585 -6.2397 -6.2397 -6.2384 -6.2384 1.2126 1.2126 1.2141 1.2141 1.7994 1.7994 1.8108 1.8108 2.5427 2.5428 2.5490 2.5490 2.8929 2.8929 2.9158 2.9158 2.9690 2.9690 2.9812 2.9812 3.0999 3.0999 3.1226 3.1226 4.3122 4.3122 4.3997 4.3997 4.5683 4.5683 4.6229 4.6229 4.9418 4.9418 4.9879 4.9879 5.3830 5.3830 5.4277 5.4277 5.5067 5.5067 5.5475 5.5475 6.1401 6.1401 6.2136 6.2136 6.5448 6.5448 6.5566 6.5566 7.2589 7.2589 7.3019 7.3019 7.6852 7.6852 7.7151 7.7151 7.8716 7.8716 7.9012 7.9012 11.2866 11.2866 k =-0.0702 0.0978 0.8577 ( 5190 PWs) bands (ev): -6.2615 -6.2615 -6.2593 -6.2593 -6.2414 -6.2414 -6.2389 -6.2389 1.2263 1.2263 1.2282 1.2282 1.7929 1.7929 1.8040 1.8040 2.5498 2.5498 2.5572 2.5572 2.8920 2.8920 2.9157 2.9157 2.9688 2.9688 2.9813 2.9813 3.0996 3.0996 3.1223 3.1223 4.3121 4.3121 4.3996 4.3996 4.5654 4.5654 4.6192 4.6192 4.9440 4.9440 4.9935 4.9935 5.3745 5.3745 5.4251 5.4251 5.5054 5.5054 5.5519 5.5519 6.1395 6.1395 6.2126 6.2126 6.5338 6.5338 6.5471 6.5471 7.2587 7.2587 7.3023 7.3023 7.6818 7.6818 7.7113 7.7113 7.8551 7.8551 7.8837 7.8837 11.3066 11.3066 k =-0.0819 0.1141 0.8577 ( 5188 PWs) bands (ev): -6.2642 -6.2642 -6.2629 -6.2629 -6.2402 -6.2402 -6.2366 -6.2366 1.2424 1.2424 1.2444 1.2444 1.7852 1.7852 1.7960 1.7960 2.5582 2.5582 2.5667 2.5667 2.8909 2.8909 2.9154 2.9154 2.9687 2.9687 2.9813 2.9813 3.0994 3.0994 3.1222 3.1222 4.3121 4.3121 4.3995 4.3995 4.5621 4.5621 4.6150 4.6150 4.9469 4.9469 4.9998 4.9998 5.3653 5.3653 5.4207 5.4207 5.5051 5.5051 5.5563 5.5563 6.1389 6.1389 6.2116 6.2116 6.5217 6.5217 6.5365 6.5365 7.2574 7.2574 7.3018 7.3018 7.6776 7.6776 7.7064 7.7064 7.8376 7.8376 7.8649 7.8649 11.3298 11.3298 k =-0.0936 0.1304 0.8577 ( 5192 PWs) bands (ev): -6.2699 -6.2699 -6.2687 -6.2687 -6.2363 -6.2363 -6.2321 -6.2321 1.2605 1.2605 1.2628 1.2628 1.7764 1.7764 1.7868 1.7868 2.5679 2.5679 2.5775 2.5775 2.8896 2.8896 2.9151 2.9151 2.9686 2.9686 2.9814 2.9814 3.0995 3.0995 3.1222 3.1222 4.3121 4.3121 4.3993 4.3993 4.5584 4.5584 4.6101 4.6101 4.9506 4.9506 5.0066 5.0066 5.3553 5.3553 5.4146 5.4146 5.5055 5.5055 5.5605 5.5605 6.1383 6.1383 6.2104 6.2104 6.5088 6.5088 6.5253 6.5253 7.2545 7.2545 7.3000 7.3000 7.6725 7.6725 7.7003 7.7003 7.8200 7.8200 7.8457 7.8457 11.3562 11.3562 k =-0.1053 0.1467 0.8577 ( 5198 PWs) bands (ev): -6.2775 -6.2775 -6.2761 -6.2761 -6.2307 -6.2307 -6.2262 -6.2262 1.2805 1.2805 1.2831 1.2831 1.7664 1.7664 1.7765 1.7765 2.5789 2.5789 2.5896 2.5896 2.8879 2.8879 2.9145 2.9145 2.9686 2.9686 2.9816 2.9816 3.0999 3.0999 3.1226 3.1226 4.3120 4.3120 4.3992 4.3992 4.5542 4.5542 4.6049 4.6049 4.9550 4.9550 5.0140 5.0140 5.3446 5.3446 5.4070 5.4070 5.5066 5.5066 5.5646 5.5646 6.1379 6.1379 6.2092 6.2092 6.4954 6.4954 6.5137 6.5137 7.2494 7.2494 7.2966 7.2966 7.6663 7.6663 7.6928 7.6928 7.8030 7.8030 7.8268 7.8268 11.3854 11.3854 k =-0.1170 0.1631 0.8577 ( 5176 PWs) bands (ev): -6.2863 -6.2862 -6.2848 -6.2848 -6.2238 -6.2238 -6.2192 -6.2192 1.3022 1.3022 1.3050 1.3050 1.7554 1.7554 1.7651 1.7651 2.5911 2.5911 2.6029 2.6029 2.8861 2.8861 2.9139 2.9139 2.9688 2.9688 2.9819 2.9819 3.1008 3.1008 3.1233 3.1233 4.3121 4.3121 4.3992 4.3992 4.5496 4.5496 4.5992 4.5992 4.9602 4.9602 5.0219 5.0219 5.3333 5.3333 5.3980 5.3980 5.5083 5.5083 5.5685 5.5685 6.1376 6.1376 6.2081 6.2081 6.4819 6.4819 6.5021 6.5021 7.2419 7.2419 7.2910 7.2910 7.6589 7.6589 7.6840 7.6840 7.7872 7.7872 7.8095 7.8095 11.4173 11.4173 k =-0.1287 0.1794 0.8577 ( 5188 PWs) bands (ev): -6.2960 -6.2960 -6.2944 -6.2943 -6.2161 -6.2161 -6.2114 -6.2114 1.3254 1.3254 1.3284 1.3284 1.7434 1.7434 1.7526 1.7526 2.6045 2.6045 2.6173 2.6173 2.8840 2.8840 2.9130 2.9130 2.9691 2.9691 2.9823 2.9823 3.1021 3.1021 3.1243 3.1243 4.3122 4.3122 4.3991 4.3991 4.5446 4.5446 4.5931 4.5931 4.9660 4.9660 5.0301 5.0301 5.3212 5.3212 5.3878 5.3878 5.5101 5.5101 5.5721 5.5721 6.1374 6.1374 6.2068 6.2068 6.4685 6.4685 6.4907 6.4907 7.2314 7.2314 7.2830 7.2830 7.6502 7.6502 7.6738 7.6738 7.7728 7.7728 7.7946 7.7946 11.4515 11.4515 k =-0.1287 0.1794 0.8577 ( 5188 PWs) bands (ev): -6.2960 -6.2960 -6.2944 -6.2943 -6.2161 -6.2161 -6.2114 -6.2114 1.3254 1.3254 1.3284 1.3284 1.7434 1.7434 1.7526 1.7526 2.6045 2.6045 2.6173 2.6173 2.8840 2.8840 2.9130 2.9130 2.9691 2.9691 2.9823 2.9823 3.1021 3.1021 3.1243 3.1243 4.3122 4.3122 4.3991 4.3991 4.5446 4.5446 4.5931 4.5931 4.9660 4.9660 5.0301 5.0301 5.3212 5.3212 5.3878 5.3878 5.5101 5.5101 5.5721 5.5721 6.1374 6.1374 6.2068 6.2068 6.4685 6.4685 6.4907 6.4907 7.2314 7.2314 7.2830 7.2830 7.6502 7.6502 7.6738 7.6738 7.7728 7.7728 7.7946 7.7946 11.4515 11.4515 k =-0.1367 0.1906 0.8439 ( 5174 PWs) bands (ev): -6.3032 -6.3028 -6.3015 -6.3011 -6.2268 -6.2223 -6.1941 -6.1892 1.3423 1.3427 1.3454 1.3459 1.7344 1.7362 1.7429 1.7456 2.5967 2.6098 2.6308 2.6448 2.8793 2.8845 2.9102 2.9144 2.9666 2.9701 2.9820 2.9851 3.0991 3.1076 3.1219 3.1290 4.3105 4.3141 4.3968 4.4016 4.5365 4.5454 4.5840 4.5936 4.9605 4.9788 5.0255 5.0446 5.3041 5.3196 5.3696 5.3924 5.5048 5.5139 5.5765 5.5800 6.1359 6.1392 6.2042 6.2078 6.4406 6.4633 6.4802 6.5023 7.2032 7.2410 7.2578 7.2930 7.6306 7.6442 7.6614 7.6767 7.7619 7.7663 7.7835 7.7906 11.4781 11.4791 k =-0.1448 0.2019 0.8300 ( 5171 PWs) bands (ev): -6.3103 -6.3097 -6.3085 -6.3078 -6.2373 -6.2330 -6.1724 -6.1674 1.3604 1.3611 1.3636 1.3646 1.7262 1.7300 1.7340 1.7396 2.5890 2.6026 2.6554 2.6710 2.8738 2.8835 2.9075 2.9159 2.9632 2.9684 2.9842 2.9891 3.0962 3.1131 3.1201 3.1340 4.3089 4.3161 4.3943 4.4042 4.5282 4.5453 4.5750 4.5942 4.9544 4.9892 5.0197 5.0565 5.2854 5.3159 5.3542 5.3982 5.4976 5.5133 5.5872 5.5925 6.1345 6.1409 6.2016 6.2086 6.4134 6.4381 6.4914 6.5149 7.1739 7.2315 7.2476 7.2995 7.6060 7.6203 7.6590 7.6767 7.7517 7.7620 7.7771 7.7906 11.5101 11.5121 k =-0.1529 0.2131 0.8162 ( 5173 PWs) bands (ev): -6.3173 -6.3166 -6.3154 -6.3146 -6.2474 -6.2434 -6.1511 -6.1460 1.3795 1.3806 1.3829 1.3844 1.7190 1.7248 1.7262 1.7346 2.5814 2.5956 2.6781 2.6956 2.8674 2.8804 2.9051 2.9172 2.9596 2.9650 2.9885 2.9938 3.0937 3.1157 3.1219 3.1393 4.3073 4.3181 4.3917 4.4068 4.5197 4.5442 4.5666 4.5947 4.9476 4.9967 5.0130 5.0653 5.2666 5.3076 5.3447 5.4043 5.4908 5.5111 5.6016 5.6073 6.1331 6.1427 6.1991 6.2091 6.3876 6.4138 6.5037 6.5280 7.1442 7.2045 7.2508 7.3021 7.5779 7.5909 7.6536 7.6717 7.7436 7.7603 7.7757 7.7941 11.5477 11.5514 k =-0.1610 0.2244 0.8023 ( 5169 PWs) bands (ev): -6.3242 -6.3233 -6.3221 -6.3212 -6.2573 -6.2534 -6.1304 -6.1251 1.3996 1.4009 1.4031 1.4050 1.7128 1.7192 1.7208 1.7307 2.5740 2.5888 2.6985 2.7182 2.8601 2.8751 2.9027 2.9182 2.9566 2.9611 2.9941 2.9991 3.0915 3.1146 3.1279 3.1449 4.3058 4.3202 4.3891 4.4095 4.5111 4.5409 4.5599 4.5954 4.9401 4.9983 5.0077 5.0711 5.2485 5.2949 5.3411 5.4095 5.4860 5.5098 5.6174 5.6228 6.1316 6.1444 6.1966 6.2092 6.3639 6.3914 6.5168 6.5419 7.1147 7.1775 7.2505 7.3005 7.5473 7.5586 7.6429 7.6607 7.7400 7.7616 7.7784 7.8004 11.5891 11.5930 k =-0.1690 0.2356 0.7885 ( 5168 PWs) bands (ev): -6.3309 -6.3299 -6.3287 -6.3277 -6.2669 -6.2632 -6.1104 -6.1049 1.4203 1.4217 1.4240 1.4262 1.7076 1.7135 1.7179 1.7279 2.5668 2.5822 2.7160 2.7383 2.8520 2.8679 2.8999 2.9184 2.9549 2.9578 3.0009 3.0050 3.0897 3.1131 3.1348 3.1507 4.3044 4.3222 4.3864 4.4122 4.5025 4.5350 4.5557 4.5963 4.9316 4.9899 5.0079 5.0741 5.2316 5.2812 5.3399 5.4120 5.4851 5.5106 5.6333 5.6384 6.1299 6.1460 6.1939 6.2090 6.3428 6.3714 6.5305 6.5561 7.0858 7.1507 7.2468 7.2946 7.5150 7.5244 7.6274 7.6443 7.7410 7.7656 7.7839 7.8086 11.6353 11.6396 k =-0.1771 0.2469 0.7747 ( 5164 PWs) bands (ev): -6.3374 -6.3364 -6.3350 -6.3339 -6.2761 -6.2726 -6.0910 -6.0853 1.4416 1.4430 1.4454 1.4478 1.7035 1.7088 1.7161 1.7262 2.5599 2.5760 2.7303 2.7554 2.8432 2.8590 2.8963 2.9179 2.9541 2.9562 3.0090 3.0117 3.0884 3.1118 3.1419 3.1567 4.3030 4.3243 4.3836 4.4149 4.4939 4.5271 4.5532 4.5974 4.9221 4.9773 5.0077 5.0747 5.2165 5.2682 5.3388 5.4103 5.4897 5.5146 5.6485 5.6535 6.1277 6.1472 6.1911 6.2084 6.3251 6.3546 6.5448 6.5708 7.0578 7.1245 7.2395 7.2840 7.4813 7.4892 7.6086 7.6242 7.7454 7.7719 7.7914 7.8182 11.6856 11.6899 k =-0.1852 0.2581 0.7608 ( 5167 PWs) bands (ev): -6.3437 -6.3426 -6.3412 -6.3400 -6.2849 -6.2816 -6.0723 -6.0666 1.4630 1.4642 1.4669 1.4694 1.7006 1.7055 1.7156 1.7257 2.5532 2.5700 2.7411 2.7685 2.8338 2.8489 2.8924 2.9166 2.9534 2.9572 3.0180 3.0193 3.0876 3.1107 3.1492 3.1626 4.3017 4.3263 4.3807 4.4175 4.4854 4.5186 4.5514 4.5987 4.9113 4.9624 5.0056 5.0735 5.2032 5.2564 5.3365 5.4046 5.4995 5.5219 5.6624 5.6678 6.1249 6.1476 6.1883 6.2077 6.3114 6.3415 6.5595 6.5859 7.0311 7.0993 7.2288 7.2690 7.4464 7.4542 7.5875 7.6020 7.7519 7.7796 7.8003 7.8286 11.7394 11.7438 k =-0.1933 0.2694 0.7470 ( 5169 PWs) bands (ev): -6.3497 -6.3486 -6.3471 -6.3459 -6.2933 -6.2902 -6.0545 -6.0486 1.4844 1.4851 1.4884 1.4907 1.6993 1.7037 1.7163 1.7265 2.5468 2.5643 2.7480 2.7767 2.8240 2.8376 2.8893 2.9151 2.9536 2.9597 3.0266 3.0292 3.0874 3.1099 3.1565 3.1687 4.3005 4.3283 4.3776 4.4200 4.4771 4.5101 4.5498 4.6002 4.8992 4.9456 5.0018 5.0709 5.1918 5.2459 5.3327 5.3963 5.5128 5.5321 5.6746 5.6809 6.1213 6.1466 6.1862 6.2071 6.3018 6.3324 6.5745 6.6011 7.0060 7.0751 7.2147 7.2494 7.4103 7.4206 7.5652 7.5786 7.7596 7.7883 7.8104 7.8396 11.7960 11.8006 k =-0.2013 0.2806 0.7331 ( 5164 PWs) bands (ev): -6.3555 -6.3543 -6.3527 -6.3515 -6.3012 -6.2984 -6.0375 -6.0315 1.5051 1.5054 1.5094 1.5111 1.6996 1.7037 1.7185 1.7286 2.5409 2.5590 2.7511 2.7791 2.8140 2.8254 2.8878 2.9138 2.9548 2.9630 3.0350 3.0406 3.0881 3.1095 3.1637 3.1746 4.2994 4.3303 4.3745 4.4220 4.4692 4.5020 4.5482 4.6020 4.8857 4.9276 4.9969 5.0674 5.1822 5.2365 5.3276 5.3865 5.5286 5.5449 5.6849 5.6927 6.1168 6.1436 6.1855 6.2073 6.2964 6.3274 6.5896 6.6164 6.9824 7.0522 7.1975 7.2258 7.3738 7.3887 7.5422 7.5547 7.7679 7.7974 7.8211 7.8512 11.8551 11.8594 k =-0.2094 0.2919 0.7193 ( 5169 PWs) bands (ev): -6.3610 -6.3598 -6.3581 -6.3568 -6.3087 -6.3061 -6.0215 -6.0153 1.5237 1.5255 1.5296 1.5300 1.7021 1.7058 1.7223 1.7322 2.5352 2.5540 2.7505 2.7760 2.8037 2.8123 2.8884 2.9131 2.9565 2.9665 3.0434 3.0527 3.0900 3.1095 3.1709 3.1804 4.2983 4.3321 4.3713 4.4231 4.4621 4.4946 4.5465 4.6041 4.8708 4.9087 4.9911 5.0633 5.1740 5.2278 5.3214 5.3760 5.5457 5.5592 5.6932 5.7030 6.1116 6.1389 6.1866 6.2087 6.2947 6.3260 6.6047 6.6318 6.9607 7.0307 7.1773 7.1986 7.3377 7.3581 7.5191 7.5309 7.7763 7.8067 7.8324 7.8630 11.9138 11.9174 k =-0.2175 0.3031 0.7054 ( 5167 PWs) bands (ev): -6.3662 -6.3649 -6.3632 -6.3618 -6.3157 -6.3133 -6.0064 -6.0002 1.5404 1.5441 1.5471 1.5485 1.7070 1.7104 1.7277 1.7373 2.5300 2.5494 2.7467 2.7685 2.7928 2.7986 2.8908 2.9134 2.9586 2.9702 3.0511 3.0649 3.0936 3.1101 3.1778 3.1861 4.2974 4.3337 4.3683 4.4225 4.4567 4.4879 4.5446 4.6063 4.8547 4.8893 4.9851 5.0589 5.1671 5.2198 5.3146 5.3655 5.5630 5.5745 5.6995 5.7120 6.1061 6.1330 6.1893 6.2116 6.2962 6.3277 6.6197 6.6472 6.9407 7.0105 7.1546 7.1688 7.3029 7.3290 7.4963 7.5075 7.7846 7.8158 7.8439 7.8749 11.9210 11.9333 k =-0.2255 0.3144 0.6916 ( 5168 PWs) bands (ev): -6.3710 -6.3697 -6.3679 -6.3665 -6.3223 -6.3200 -5.9924 -5.9860 1.5545 1.5600 1.5629 1.5658 1.7146 1.7176 1.7350 1.7440 2.5252 2.5451 2.7403 2.7584 2.7810 2.7845 2.8940 2.9143 2.9609 2.9739 3.0574 3.0765 3.0993 3.1117 3.1845 3.1915 4.2966 4.3349 4.3655 4.4196 4.4537 4.4821 4.5427 4.6089 4.8378 4.8698 4.9792 5.0544 5.1609 5.2121 5.3076 5.3551 5.5797 5.5904 5.7038 5.7197 6.1006 6.1269 6.1933 6.2163 6.3004 6.3319 6.6344 6.6624 6.9224 6.9915 7.1297 7.1375 7.2696 7.3009 7.4742 7.4849 7.7924 7.8246 7.8554 7.8869 11.8579 11.8746 k =-0.2336 0.3256 0.6777 ( 5176 PWs) bands (ev): -6.3755 -6.3742 -6.3723 -6.3709 -6.3283 -6.3262 -5.9794 -5.9729 1.5660 1.5717 1.5779 1.5812 1.7248 1.7275 1.7440 1.7524 2.5207 2.5412 2.7320 2.7468 2.7681 2.7702 2.8975 2.9158 2.9631 2.9773 3.0619 3.0862 3.1072 3.1151 3.1908 3.1966 4.2960 4.3355 4.3631 4.4143 4.4532 4.4772 4.5407 4.6116 4.8204 4.8504 4.9735 5.0499 5.1554 5.2046 5.3009 5.3454 5.5947 5.6065 5.7064 5.7266 6.0954 6.1208 6.1985 6.2225 6.3067 6.3378 6.6485 6.6773 6.9059 6.9736 7.1033 7.1062 7.2380 7.2736 7.4532 7.4632 7.7997 7.8328 7.8668 7.8986 11.7847 11.8013 k =-0.2417 0.3369 0.6639 ( 5167 PWs) bands (ev): -6.3796 -6.3783 -6.3763 -6.3748 -6.3337 -6.3319 -5.9675 -5.9609 1.5748 1.5804 1.5911 1.5945 1.7374 1.7396 1.7546 1.7623 2.5168 2.5376 2.7224 2.7347 2.7542 2.7564 2.9010 2.9176 2.9654 2.9806 3.0650 3.0929 3.1167 3.1213 3.1968 3.2013 4.2957 4.3354 4.3614 4.4076 4.4544 4.4732 4.5387 4.6147 4.8031 4.8313 4.9683 5.0454 5.1502 5.1974 5.2948 5.3364 5.6075 5.6224 5.7079 5.7330 6.0909 6.1153 6.2049 6.2300 6.3146 6.3449 6.6619 6.6920 6.8908 6.9563 7.0745 7.0785 7.2081 7.2471 7.4335 7.4429 7.8064 7.8405 7.8780 7.9100 11.7144 11.7301 k =-0.2498 0.3481 0.6500 ( 5174 PWs) bands (ev): -6.3834 -6.3820 -6.3800 -6.3785 -6.3387 -6.3371 -5.9568 -5.9501 1.5813 1.5865 1.6021 1.6058 1.7514 1.7532 1.7665 1.7734 2.5132 2.5344 2.7122 2.7225 2.7400 2.7431 2.9041 2.9196 2.9674 2.9836 3.0671 3.0966 3.1268 3.1300 3.2021 3.2057 4.2955 4.3343 4.3606 4.4003 4.4564 4.4699 4.5367 4.6181 4.7863 4.8127 4.9636 5.0411 5.1453 5.1903 5.2893 5.3282 5.6178 5.6370 5.7088 5.7394 6.0869 6.1103 6.2123 6.2383 6.3237 6.3526 6.6744 6.7062 6.8767 6.9390 7.0463 7.0542 7.1798 7.2211 7.4154 7.4240 7.8124 7.8473 7.8885 7.9208 11.6496 11.6640 k =-0.2578 0.3594 0.6362 ( 5178 PWs) bands (ev): -6.3867 -6.3853 -6.3832 -6.3817 -6.3430 -6.3416 -5.9472 -5.9405 1.5859 1.5908 1.6111 1.6150 1.7661 1.7677 1.7792 1.7851 2.5100 2.5315 2.7018 2.7108 2.7260 2.7301 2.9069 2.9215 2.9693 2.9863 3.0685 3.0986 3.1370 3.1396 3.2068 3.2096 4.2956 4.3325 4.3605 4.3931 4.4587 4.4673 4.5349 4.6218 4.7704 4.7948 4.9594 5.0370 5.1406 5.1835 5.2847 5.3210 5.6258 5.6495 5.7099 5.7458 6.0836 6.1058 6.2206 6.2472 6.3334 6.3604 6.6858 6.7199 6.8629 6.9209 7.0217 7.0337 7.1530 7.1957 7.3991 7.4069 7.8177 7.8534 7.8984 7.9308 11.5913 11.6042 k =-0.2659 0.3706 0.6223 ( 5174 PWs) bands (ev): -6.3896 -6.3882 -6.3861 -6.3845 -6.3468 -6.3456 -5.9389 -5.9321 1.5892 1.5937 1.6182 1.6225 1.7806 1.7820 1.7918 1.7970 2.5073 2.5290 2.6919 2.6998 2.7127 2.7178 2.9094 2.9233 2.9710 2.9886 3.0696 3.0998 3.1467 3.1491 3.2109 3.2131 4.2961 4.3300 4.3610 4.3864 4.4609 4.4655 4.5333 4.6258 4.7558 4.7778 4.9560 5.0333 5.1364 5.1770 5.2811 5.3148 5.6316 5.6589 5.7121 5.7523 6.0809 6.1018 6.2296 6.2563 6.3433 6.3678 6.6962 6.7328 6.8487 6.9017 7.0022 7.0186 7.1276 7.1708 7.3846 7.3916 7.8223 7.8586 7.9073 7.9399 11.5398 11.5512 k =-0.2740 0.3819 0.6085 ( 5178 PWs) bands (ev): -6.3921 -6.3907 -6.3885 -6.3869 -6.3501 -6.3490 -5.9317 -5.9249 1.5914 1.5957 1.6238 1.6285 1.7941 1.7956 1.8039 1.8085 2.5049 2.5268 2.6829 2.6900 2.7005 2.7066 2.9114 2.9248 2.9725 2.9907 3.0704 3.1005 3.1557 3.1577 3.2141 3.2161 4.2968 4.3271 4.3616 4.3806 4.4628 4.4642 4.5319 4.6302 4.7429 4.7619 4.9530 5.0298 5.1326 5.1711 5.2782 5.3096 5.6356 5.6650 5.7158 5.7586 6.0788 6.0984 6.2389 6.2650 6.3531 6.3744 6.7055 6.7450 6.8334 6.8817 6.9886 7.0095 7.1034 7.1465 7.3723 7.3784 7.8261 7.8631 7.9152 7.9479 11.4958 11.5055 k =-0.2820 0.3931 0.5946 ( 5184 PWs) bands (ev): -6.3942 -6.3927 -6.3905 -6.3889 -6.3527 -6.3519 -5.9259 -5.9191 1.5929 1.5969 1.6280 1.6330 1.8060 1.8077 1.8148 1.8188 2.5030 2.5249 2.6751 2.6815 2.6897 2.6966 2.9131 2.9261 2.9737 2.9923 3.0709 3.1009 3.1635 3.1651 3.2165 3.2187 4.2978 4.3241 4.3621 4.3759 4.4634 4.4643 4.5308 4.6347 4.7318 4.7474 4.9507 5.0268 5.1293 5.1659 5.2762 5.3053 5.6382 5.6680 5.7206 5.7643 6.0773 6.0954 6.2480 6.2728 6.3622 6.3799 6.7140 6.7564 6.8171 6.8620 6.9814 7.0065 7.0806 7.1230 7.3620 7.3674 7.8293 7.8667 7.9219 7.9546 11.4595 11.4674 k =-0.2901 0.4044 0.5808 ( 5179 PWs) bands (ev): -6.3958 -6.3943 -6.3921 -6.3905 -6.3547 -6.3541 -5.9213 -5.9144 1.5939 1.5977 1.6311 1.6364 1.8159 1.8176 1.8239 1.8274 2.5015 2.5234 2.6690 2.6747 2.6806 2.6883 2.9144 2.9271 2.9747 2.9936 3.0714 3.1013 3.1699 3.1711 3.2183 3.2207 4.2991 4.3212 4.3620 4.3728 4.4632 4.4653 4.5302 4.6393 4.7230 4.7348 4.9489 5.0243 5.1267 5.1616 5.2748 5.3020 5.6398 5.6692 5.7256 5.7692 6.0762 6.0930 6.2563 6.2794 6.3703 6.3840 6.7221 6.7669 6.8006 6.8436 6.9802 7.0088 7.0596 7.1007 7.3540 7.3587 7.8317 7.8695 7.9272 7.9599 11.4313 11.4373 k =-0.2982 0.4156 0.5669 ( 5183 PWs) bands (ev): -6.3969 -6.3954 -6.3932 -6.3916 -6.3561 -6.3557 -5.9181 -5.9111 1.5945 1.5982 1.6333 1.6388 1.8232 1.8251 1.8307 1.8340 2.5004 2.5223 2.6648 2.6696 2.6736 2.6821 2.9153 2.9278 2.9754 2.9946 3.0717 3.1015 3.1747 3.1755 3.2194 3.2221 4.3003 4.3186 4.3612 4.3712 4.4632 4.4657 4.5298 4.6435 4.7166 4.7246 4.9476 5.0224 5.1249 5.1583 5.2739 5.2996 5.6407 5.6694 5.7297 5.7730 6.0755 6.0911 6.2631 6.2842 6.3771 6.3864 6.7302 6.7755 6.7864 6.8272 6.9840 7.0154 7.0407 7.0798 7.3481 7.3525 7.8335 7.8715 7.9311 7.9638 11.4112 11.4153 k =-0.3063 0.4269 0.5531 ( 5181 PWs) bands (ev): -6.3976 -6.3961 -6.3939 -6.3922 -6.3570 -6.3567 -5.9161 -5.9092 1.5949 1.5985 1.6345 1.6401 1.8277 1.8297 1.8350 1.8381 2.4998 2.5217 2.6626 2.6662 2.6692 2.6781 2.9159 2.9283 2.9758 2.9952 3.0719 3.1016 3.1776 3.1782 3.2201 3.2230 4.3015 4.3167 4.3604 4.3707 4.4634 4.4659 4.5296 4.6467 4.7128 4.7177 4.9469 5.0213 5.1238 5.1563 5.2735 5.2982 5.6411 5.6693 5.7324 5.7753 6.0751 6.0900 6.2677 6.2871 6.3823 6.3870 6.7383 6.7694 6.7896 6.8129 6.9912 7.0209 7.0291 7.0614 7.3445 7.3488 7.8345 7.8727 7.9334 7.9662 11.3994 11.4017 k =-0.3143 0.4381 0.5392 ( 5183 PWs) bands (ev): -6.3979 -6.3963 -6.3942 -6.3925 -6.3572 -6.3571 -5.9154 -5.9085 1.5950 1.5986 1.6349 1.6406 1.8292 1.8312 1.8364 1.8394 2.4995 2.5215 2.6622 2.6647 2.6677 2.6767 2.9161 2.9284 2.9760 2.9953 3.0720 3.1017 3.1787 3.1791 3.2203 3.2233 4.3019 4.3160 4.3601 4.3706 4.4635 4.4659 4.5296 4.6479 4.7115 4.7150 4.9467 5.0209 5.1234 5.1556 5.2733 5.2976 5.6413 5.6692 5.7333 5.7761 6.0750 6.0896 6.2693 6.2880 6.3853 6.3860 6.7432 6.7632 6.7997 6.8012 6.9957 7.0154 7.0341 7.0515 7.3432 7.3475 7.8348 7.8731 7.9342 7.9670 11.3958 11.3968 k =-0.3143 0.4381 0.5392 ( 5183 PWs) bands (ev): -6.3979 -6.3963 -6.3942 -6.3925 -6.3572 -6.3571 -5.9154 -5.9085 1.5950 1.5986 1.6349 1.6406 1.8292 1.8312 1.8364 1.8394 2.4995 2.5215 2.6622 2.6647 2.6677 2.6767 2.9161 2.9284 2.9760 2.9953 3.0720 3.1017 3.1787 3.1791 3.2203 3.2233 4.3019 4.3160 4.3601 4.3706 4.4635 4.4659 4.5296 4.6479 4.7115 4.7150 4.9467 5.0209 5.1234 5.1556 5.2733 5.2976 5.6413 5.6692 5.7333 5.7761 6.0750 6.0896 6.2693 6.2880 6.3853 6.3860 6.7432 6.7632 6.7997 6.8012 6.9957 7.0154 7.0341 7.0515 7.3432 7.3475 7.8348 7.8731 7.9342 7.9670 11.3958 11.3968 k =-0.3061 0.4266 0.5250 ( 5179 PWs) bands (ev): -6.3965 -6.3959 -6.3793 -6.3766 -6.3738 -6.3718 -5.9146 -5.9075 1.6262 1.6305 1.6669 1.6710 1.8291 1.8308 1.8402 1.8454 2.4513 2.4730 2.6411 2.6442 2.6481 2.6544 2.9115 2.9229 2.9789 2.9998 3.0622 3.0913 3.1700 3.1721 3.2188 3.2219 4.3002 4.3143 4.3602 4.3694 4.4623 4.4686 4.5341 4.6547 4.7079 4.7130 4.9284 5.0074 5.1326 5.1499 5.2673 5.2773 5.6327 5.6603 5.7424 5.7861 6.0807 6.0944 6.2702 6.2927 6.3782 6.3799 6.7404 6.7482 6.8065 6.8184 7.0039 7.0391 7.0583 7.0605 7.3558 7.3607 7.8313 7.8685 7.9357 7.9668 11.4269 11.4279 k =-0.2978 0.4151 0.5109 ( 5171 PWs) bands (ev): -6.4255 -6.4254 -6.3628 -6.3617 -6.3588 -6.3578 -5.9137 -5.9065 1.6559 1.6611 1.6943 1.6960 1.8319 1.8330 1.8505 1.8587 2.4019 2.4228 2.6205 2.6237 2.6281 2.6327 2.9065 2.9174 2.9818 3.0042 3.0524 3.0804 3.1623 3.1666 3.2174 3.2206 4.2988 4.3128 4.3604 4.3688 4.4609 4.4711 4.5386 4.6613 4.7044 4.7114 4.9112 4.9946 5.1392 5.1400 5.2574 5.2648 5.6222 5.6500 5.7505 5.7952 6.0872 6.1003 6.2697 6.2960 6.3685 6.3728 6.7254 6.7272 6.8222 6.8421 7.0149 7.0573 7.0798 7.0877 7.3716 7.3770 7.8252 7.8611 7.9353 7.9646 11.4587 11.4597 k =-0.2895 0.4036 0.4967 ( 5179 PWs) bands (ev): -6.4576 -6.4576 -6.3459 -6.3453 -6.3418 -6.3412 -5.9129 -5.9056 1.6828 1.6892 1.7140 1.7148 1.8390 1.8393 1.8695 1.8810 2.3518 2.3718 2.5999 2.6033 2.6077 2.6112 2.9010 2.9118 2.9846 3.0088 3.0427 3.0691 3.1558 3.1625 3.2162 3.2196 4.2974 4.3113 4.3608 4.3688 4.4593 4.4733 4.5432 4.6675 4.7012 4.7103 4.8950 4.9823 5.1245 5.1443 5.2393 5.2652 5.6102 5.6385 5.7573 5.8031 6.0946 6.1070 6.2676 6.2975 6.3574 6.3643 6.7058 6.7069 6.8390 6.8648 7.0291 7.0711 7.1089 7.1189 7.3907 7.3965 7.8166 7.8511 7.9333 7.9606 11.4906 11.4916 k =-0.2812 0.3920 0.4825 ( 5171 PWs) bands (ev): -6.4902 -6.4902 -6.3287 -6.3283 -6.3245 -6.3241 -5.9120 -5.9046 1.7053 1.7129 1.7253 1.7280 1.8512 1.8517 1.8978 1.9119 2.3017 2.3204 2.5794 2.5829 2.5871 2.5896 2.8950 2.9060 2.9872 3.0132 3.0330 3.0575 3.1505 3.1596 3.2152 3.2188 4.2962 4.3101 4.3613 4.3694 4.4578 4.4753 4.5478 4.6733 4.6984 4.7097 4.8799 4.9705 5.1071 5.1436 5.2254 5.2674 5.5970 5.6262 5.7629 5.8098 6.1025 6.1146 6.2641 6.2969 6.3462 6.3552 6.6847 6.6877 6.8542 6.8852 7.0465 7.0856 7.1410 7.1515 7.4132 7.4192 7.8058 7.8386 7.9300 7.9553 11.5219 11.5229 k =-0.2730 0.3805 0.4683 ( 5181 PWs) bands (ev): -6.5230 -6.5230 -6.3114 -6.3110 -6.3070 -6.3066 -5.9112 -5.9038 1.7225 1.7294 1.7336 1.7355 1.8700 1.8712 1.9333 1.9495 2.2518 2.2691 2.5589 2.5625 2.5662 2.5681 2.8887 2.9000 2.9893 3.0164 3.0245 3.0463 3.1464 3.1580 3.2145 3.2183 4.2951 4.3091 4.3620 4.3704 4.4562 4.4770 4.5522 4.6785 4.6959 4.7095 4.8657 4.9591 5.0878 5.1356 5.2180 5.2706 5.5828 5.6131 5.7671 5.8151 6.1109 6.1229 6.2591 6.2931 6.3359 6.3455 6.6641 6.6685 6.8666 6.9025 7.0664 7.1017 7.1741 7.1845 7.4390 7.4450 7.7930 7.8240 7.9261 7.9491 11.5518 11.5528 k =-0.2647 0.3690 0.4541 ( 5185 PWs) bands (ev): -6.5557 -6.5557 -6.2938 -6.2936 -6.2893 -6.2890 -5.9104 -5.9029 1.7339 1.7340 1.7402 1.7455 1.8955 1.8971 1.9739 1.9916 2.2027 2.2183 2.5384 2.5419 2.5451 2.5465 2.8820 2.8938 2.9905 3.0109 3.0244 3.0358 3.1436 3.1573 3.2140 3.2180 4.2941 4.3082 4.3627 4.3720 4.4549 4.4786 4.5565 4.6828 4.6942 4.7098 4.8525 4.9479 5.0676 5.1208 5.2169 5.2742 5.5681 5.5998 5.7699 5.8189 6.1195 6.1318 6.2531 6.2854 6.3281 6.3359 6.6441 6.6494 6.8761 6.9162 7.0878 7.1190 7.2071 7.2170 7.4680 7.4736 7.7790 7.8078 7.9220 7.9428 11.5792 11.5800 k =-0.2564 0.3574 0.4399 ( 5177 PWs) bands (ev): -6.5884 -6.5883 -6.2762 -6.2760 -6.2715 -6.2713 -5.9097 -5.9021 1.7355 1.7387 1.7458 1.7548 1.9263 1.9278 2.0177 2.0368 2.1547 2.1685 2.5179 2.5211 2.5240 2.5252 2.8750 2.8876 2.9897 3.0012 3.0272 3.0288 3.1418 3.1576 3.2137 3.2180 4.2932 4.3076 4.3635 4.3740 4.4539 4.4802 4.5607 4.6851 4.6941 4.7105 4.8401 4.9368 5.0469 5.1016 5.2198 5.2779 5.5529 5.5862 5.7714 5.8212 6.1280 6.1413 6.2462 6.2737 6.3230 6.3266 6.6245 6.6307 6.8826 6.9261 7.1098 7.1369 7.2391 7.2481 7.5002 7.5051 7.7645 7.7909 7.9186 7.9372 11.6025 11.6034 k =-0.2482 0.3459 0.4257 ( 5185 PWs) bands (ev): -6.6208 -6.6207 -6.2586 -6.2584 -6.2537 -6.2535 -5.9089 -5.9013 1.7358 1.7394 1.7521 1.7620 1.9605 1.9620 2.0622 2.0837 2.1097 2.1203 2.4975 2.5001 2.5028 2.5042 2.8678 2.8813 2.9856 2.9910 3.0223 3.0334 3.1411 3.1586 3.2138 3.2183 4.2922 4.3070 4.3644 4.3763 4.4531 4.4816 4.5647 4.6849 4.6961 4.7116 4.8287 4.9258 5.0261 5.0803 5.2245 5.2814 5.5374 5.5726 5.7714 5.8218 6.1360 6.1513 6.2390 6.2593 6.3176 6.3199 6.6055 6.6122 6.8860 6.9320 7.1310 7.1545 7.2690 7.2766 7.5352 7.5392 7.7504 7.7742 7.9167 7.9332 11.6203 11.6210 k =-0.2399 0.3344 0.4115 ( 5183 PWs) bands (ev): -6.6529 -6.6528 -6.2409 -6.2407 -6.2359 -6.2357 -5.9082 -5.9006 1.7351 1.7383 1.7579 1.7683 1.9970 1.9983 2.0601 2.0727 2.1148 2.1334 2.4771 2.4787 2.4817 2.4837 2.8605 2.8750 2.9780 2.9807 3.0211 3.0382 3.1414 3.1604 3.2141 3.2189 4.2912 4.3066 4.3652 4.3791 4.4526 4.4828 4.5687 4.6836 4.6987 4.7131 4.8181 4.9147 5.0054 5.0582 5.2299 5.2846 5.5220 5.5592 5.7701 5.8209 6.1426 6.1616 6.2322 6.2432 6.3092 6.3179 6.5870 6.5940 6.8866 6.9340 7.1502 7.1709 7.2955 7.3012 7.5726 7.5755 7.7383 7.7592 7.9173 7.9319 11.6306 11.6313 k =-0.2316 0.3228 0.3973 ( 5185 PWs) bands (ev): -6.6846 -6.6846 -6.2233 -6.2231 -6.2181 -6.2180 -5.9075 -5.9000 1.7333 1.7356 1.7635 1.7743 2.0194 2.0279 2.0355 2.0361 2.1619 2.1827 2.4569 2.4572 2.4609 2.4639 2.8532 2.8687 2.9682 2.9704 3.0223 3.0430 3.1426 3.1627 3.2148 3.2197 4.2901 4.3063 4.3661 4.3821 4.4526 4.4840 4.5726 4.6821 4.7010 4.7150 4.8086 4.9036 4.9851 5.0358 5.2356 5.2875 5.5067 5.5460 5.7673 5.8183 6.1469 6.1722 6.2261 6.2270 6.3015 6.3166 6.5688 6.5760 6.8843 6.9320 7.1662 7.1849 7.3168 7.3205 7.6120 7.6138 7.7297 7.7478 7.9213 7.9344 11.6318 11.6324 k =-0.2233 0.3113 0.3831 ( 5177 PWs) bands (ev): -6.7158 -6.7158 -6.2057 -6.2056 -6.2004 -6.2003 -5.9068 -5.8994 1.7298 1.7306 1.7695 1.7807 1.9817 1.9876 2.0737 2.0746 2.2103 2.2323 2.4357 2.4368 2.4409 2.4449 2.8459 2.8625 2.9573 2.9602 3.0249 3.0479 3.1445 3.1656 3.2158 3.2210 4.2889 4.3061 4.3670 4.3855 4.4530 4.4852 4.5764 4.6807 4.7027 4.7172 4.8001 4.8925 4.9654 5.0137 5.2412 5.2899 5.4917 5.5332 5.7631 5.8140 6.1475 6.1828 6.2087 6.2248 6.2947 6.3159 6.5511 6.5582 6.8791 6.9264 7.1780 7.1959 7.3313 7.3327 7.6528 7.6539 7.7268 7.7424 7.9295 7.9416 11.6224 11.6228 k =-0.2151 0.2998 0.3690 ( 5181 PWs) bands (ev): -6.7466 -6.7465 -6.1884 -6.1883 -6.1829 -6.1828 -5.9062 -5.8988 1.7223 1.7236 1.7761 1.7875 1.9489 1.9513 2.1128 2.1137 2.2577 2.2806 2.4144 2.4165 2.4229 2.4280 2.8388 2.8564 2.9462 2.9502 3.0282 3.0527 3.1471 3.1688 3.2171 3.2225 4.2876 4.3060 4.3678 4.3891 4.4537 4.4861 4.5801 4.6795 4.7034 4.7197 4.7928 4.8813 4.9463 4.9920 5.2464 5.2917 5.4769 5.5208 5.7574 5.8080 6.1435 6.1873 6.1971 6.2261 6.2888 6.3156 6.5336 6.5406 6.8710 6.9170 7.1848 7.2031 7.3369 7.3373 7.6934 7.6950 7.7313 7.7462 7.9424 7.9541 11.6015 11.6019 k =-0.2068 0.2883 0.3548 ( 5177 PWs) bands (ev): -6.7767 -6.7767 -6.1712 -6.1711 -6.1655 -6.1655 -5.9056 -5.8983 1.7093 1.7133 1.7834 1.7951 1.9214 1.9227 2.1521 2.1530 2.3007 2.3232 2.3933 2.3961 2.4102 2.4171 2.8318 2.8504 2.9351 2.9404 3.0320 3.0575 3.1504 3.1726 3.2187 3.2243 4.2862 4.3059 4.3686 4.3929 4.4550 4.4870 4.5838 4.6785 4.7031 4.7224 4.7866 4.8700 4.9279 4.9709 5.2514 5.2931 5.4627 5.5088 5.7502 5.8002 6.1355 6.1707 6.2064 6.2305 6.2841 6.3159 6.5164 6.5231 6.8599 6.9042 7.1863 7.2063 7.3328 7.3342 7.7282 7.7329 7.7483 7.7653 7.9604 7.9721 11.5690 11.5692 k =-0.1985 0.2767 0.3406 ( 5173 PWs) bands (ev): -6.8061 -6.8061 -6.1542 -6.1542 -6.1484 -6.1484 -5.9050 -5.8978 1.6908 1.6974 1.7915 1.8034 1.8991 1.9042 2.1911 2.1922 2.3285 2.3457 2.3727 2.3757 2.4132 2.4267 2.8250 2.8447 2.9242 2.9309 3.0361 3.0624 3.1542 3.1766 3.2207 3.2265 4.2845 4.3058 4.3694 4.3968 4.4567 4.4876 4.5874 4.6778 4.7016 4.7254 4.7818 4.8587 4.9104 4.9505 5.2559 5.2939 5.4489 5.4973 5.7415 5.7907 6.1244 6.1520 6.2174 6.2364 6.2811 6.3167 6.4996 6.5058 6.8459 6.8880 7.1827 7.2055 7.3211 7.3225 7.7542 7.7571 7.7877 7.8023 7.9834 7.9955 11.5253 11.5254 k =-0.1903 0.2652 0.3264 ( 5181 PWs) bands (ev): -6.8348 -6.8348 -6.1376 -6.1375 -6.1317 -6.1316 -5.9045 -5.8974 1.6670 1.6756 1.8004 1.8125 1.8852 1.8932 2.2296 2.2311 2.3299 2.3413 2.3527 2.3556 2.4429 2.4633 2.8185 2.8391 2.9135 2.9217 3.0404 3.0672 3.1585 3.1810 3.2231 3.2290 4.2827 4.3057 4.3700 4.4007 4.4589 4.4881 4.5909 4.6776 4.6989 4.7285 4.7781 4.8474 4.8938 4.9311 5.2598 5.2941 5.4357 5.4861 5.7312 5.7794 6.1111 6.1329 6.2284 6.2418 6.2806 6.3180 6.4830 6.4888 6.8290 6.8688 7.1746 7.2011 7.3034 7.3039 7.7803 7.7824 7.8334 7.8472 8.0111 8.0237 11.4713 11.4714 k =-0.1820 0.2537 0.3122 ( 5185 PWs) bands (ev): -6.8627 -6.8627 -6.1213 -6.1212 -6.1152 -6.1152 -5.9040 -5.8971 1.6389 1.6487 1.8103 1.8225 1.8788 1.8889 2.2665 2.2695 2.3177 2.3275 2.3337 2.3359 2.4863 2.5099 2.8122 2.8338 2.9032 2.9128 3.0448 3.0719 3.1633 3.1857 3.2258 3.2318 4.2807 4.3055 4.3705 4.4048 4.4616 4.4884 4.5943 4.6776 4.6952 4.7317 4.7756 4.8363 4.8781 4.9126 5.2632 5.2937 5.4230 5.4753 5.7194 5.7663 6.0964 6.1136 6.2392 6.2453 6.2835 6.3197 6.4668 6.4721 6.8094 6.8469 7.1626 7.1932 7.2804 7.2814 7.8100 7.8119 7.8807 7.8948 8.0428 8.0561 11.4081 11.4083 k =-0.1737 0.2421 0.2980 ( 5187 PWs) bands (ev): -6.8898 -6.8898 -6.1053 -6.1053 -6.0991 -6.0991 -5.9035 -5.8968 1.6082 1.6185 1.8210 1.8332 1.8783 1.8895 2.2927 2.2991 2.3095 2.3129 2.3167 2.3234 2.5335 2.5588 2.8063 2.8287 2.8934 2.9042 3.0494 3.0765 3.1685 3.1906 3.2288 3.2349 4.2785 4.3052 4.3711 4.4088 4.4648 4.4886 4.5977 4.6781 4.6907 4.7348 4.7739 4.8254 4.8633 4.8952 5.2660 5.2929 5.4110 5.4649 5.7061 5.7515 6.0806 6.0940 6.2464 6.2498 6.2896 6.3218 6.4513 6.4562 6.7873 6.8226 7.1476 7.1824 7.2537 7.2565 7.8431 7.8450 7.9292 7.9437 8.0780 8.0918 11.3371 11.3374 k =-0.1654 0.2306 0.2838 ( 5197 PWs) bands (ev): -6.9159 -6.9159 -6.0898 -6.0898 -6.0835 -6.0835 -5.9031 -5.8965 1.5762 1.5864 1.8326 1.8447 1.8821 1.8938 2.2833 2.2843 2.2954 2.2975 2.3454 2.3497 2.5815 2.6079 2.8009 2.8240 2.8839 2.8960 3.0540 3.0811 3.1741 3.1958 3.2321 3.2384 4.2760 4.3047 4.3715 4.4127 4.4684 4.4886 4.6009 4.6786 4.6859 4.7378 4.7729 4.8148 4.8496 4.8789 5.2681 5.2915 5.3997 5.4547 5.6913 5.7349 6.0639 6.0740 6.2460 6.2596 6.2975 6.3240 6.4367 6.4412 6.7631 6.7966 7.1303 7.1686 7.2257 7.2300 7.8790 7.8810 7.9784 7.9932 8.1159 8.1300 11.2595 11.2599 k =-0.1572 0.2191 0.2696 ( 5195 PWs) bands (ev): -6.9411 -6.9411 -6.0748 -6.0748 -6.0683 -6.0683 -5.9026 -5.8963 1.5438 1.5537 1.8451 1.8570 1.8892 1.9010 2.2658 2.2674 2.2776 2.2792 2.3816 2.3845 2.6291 2.6562 2.7959 2.8195 2.8750 2.8882 3.0588 3.0857 3.1801 3.2012 3.2358 3.2421 4.2734 4.3041 4.3720 4.4166 4.4725 4.4886 4.6040 4.6776 4.6826 4.7404 4.7722 4.8046 4.8369 4.8637 5.2697 5.2897 5.3891 5.4448 5.6751 5.7168 6.0465 6.0539 6.2451 6.2686 6.3055 6.3261 6.4237 6.4280 6.7373 6.7694 7.1113 7.1517 7.1983 7.2030 7.9171 7.9191 8.0280 8.0430 8.1558 8.1701 11.1767 11.1771 k =-0.1489 0.2075 0.2554 ( 5191 PWs) bands (ev): -6.9653 -6.9653 -6.0602 -6.0602 -6.0537 -6.0536 -5.9023 -5.8961 1.5118 1.5212 1.8582 1.8698 1.8985 1.9102 2.2485 2.2499 2.2601 2.2613 2.4169 2.4194 2.6758 2.7030 2.7917 2.8154 2.8665 2.8807 3.0636 3.0901 3.1864 3.2068 3.2398 3.2462 4.2707 4.3033 4.3725 4.4202 4.4772 4.4886 4.6070 4.6727 4.6832 4.7425 4.7715 4.7948 4.8253 4.8498 5.2707 5.2875 5.3792 5.4349 5.6576 5.6970 6.0284 6.0336 6.2440 6.2760 6.3119 6.3277 6.4134 6.4173 6.7104 6.7416 7.0910 7.1312 7.1728 7.1761 7.9569 7.9590 8.0778 8.0927 8.1972 8.2114 11.0896 11.0901 k =-0.1406 0.1960 0.2412 ( 5183 PWs) bands (ev): -6.9884 -6.9884 -6.0463 -6.0463 -6.0396 -6.0395 -5.9019 -5.8960 1.4805 1.4893 1.8720 1.8832 1.9097 1.9209 2.2315 2.2326 2.2432 2.2442 2.4511 2.4534 2.7209 2.7465 2.7898 2.8119 2.8586 2.8737 3.0684 3.0944 3.1932 3.2127 3.2442 3.2505 4.2678 4.3023 4.3730 4.4235 4.4823 4.4889 4.6098 4.6667 4.6850 4.7439 4.7706 4.7855 4.8149 4.8372 5.2710 5.2852 5.3701 5.4250 5.6390 5.6759 6.0098 6.0131 6.2429 6.2809 6.3150 6.3291 6.4073 6.4099 6.6832 6.7140 7.0700 7.1074 7.1497 7.1501 7.9982 8.0004 8.1275 8.1420 8.2394 8.2533 10.9993 10.9999 k =-0.1324 0.1845 0.2270 ( 5169 PWs) bands (ev): -7.0105 -7.0104 -6.0328 -6.0328 -6.0260 -6.0260 -5.9015 -5.8959 1.4502 1.4585 1.8863 1.8971 1.9221 1.9329 2.2151 2.2159 2.2269 2.2276 2.4840 2.4863 2.7632 2.7724 2.8039 2.8097 2.8514 2.8671 3.0733 3.0986 3.2003 3.2187 3.2488 3.2551 4.2648 4.3009 4.3735 4.4262 4.4879 4.4895 4.6123 4.6607 4.6872 4.7442 4.7691 4.7768 4.8060 4.8261 5.2709 5.2827 5.3619 5.4152 5.6194 5.6534 5.9907 5.9923 6.2419 6.2820 6.3133 6.3309 6.4063 6.4069 6.6565 6.6870 7.0485 7.0817 7.1245 7.1291 8.0408 8.0430 8.1766 8.1907 8.2819 8.2954 10.9068 10.9074 k =-0.1241 0.1730 0.2129 ( 5163 PWs) bands (ev): -7.0313 -7.0313 -6.0201 -6.0201 -6.0132 -6.0132 -5.9012 -5.8959 1.4212 1.4290 1.9010 1.9113 1.9356 1.9458 2.1993 2.1999 2.2112 2.2119 2.5154 2.5178 2.7737 2.7931 2.8176 2.8408 2.8455 2.8610 3.0781 3.1027 3.2077 3.2250 3.2537 3.2599 4.2617 4.2992 4.3742 4.4284 4.4907 4.4939 4.6145 4.6547 4.6896 4.7433 4.7668 4.7685 4.7984 4.8164 5.2702 5.2801 5.3544 5.4050 5.5991 5.6299 5.9713 5.9716 6.2409 6.2786 6.3070 6.3340 6.4060 6.4117 6.6312 6.6614 7.0268 7.0554 7.1001 7.1092 8.0845 8.0867 8.2250 8.2383 8.3243 8.3371 10.8128 10.8134 k =-0.1158 0.1614 0.1987 ( 5163 PWs) bands (ev): -7.0510 -7.0510 -6.0080 -6.0079 -6.0009 -6.0009 -5.9009 -5.8959 1.3937 1.4009 1.9160 1.9258 1.9497 1.9592 2.1843 2.1846 2.1962 2.1968 2.5454 2.5478 2.7713 2.7964 2.8345 2.8547 2.8558 2.8799 3.0829 3.1066 3.2156 3.2314 3.2588 3.2648 4.2585 4.2972 4.3749 4.4300 4.4925 4.5003 4.6164 4.6488 4.6919 4.7411 4.7607 4.7633 4.7922 4.8084 5.2692 5.2778 5.3479 5.3947 5.5783 5.6055 5.9507 5.9517 6.2398 6.2713 6.2976 6.3379 6.4082 6.4205 6.6082 6.6376 7.0051 7.0296 7.0767 7.0895 8.1291 8.1313 8.2722 8.2848 8.3660 8.3781 10.7181 10.7188 k =-0.1075 0.1499 0.1845 ( 5155 PWs) bands (ev): -7.0695 -7.0695 -5.9965 -5.9965 -5.9894 -5.9894 -5.9006 -5.8959 1.3678 1.3744 1.9310 1.9403 1.9643 1.9731 2.1700 2.1702 2.1820 2.1826 2.5737 2.5762 2.7687 2.7944 2.8307 2.8494 2.8908 2.9164 3.0875 3.1105 3.2238 3.2380 3.2641 3.2700 4.2554 4.2948 4.3758 4.4308 4.4951 4.5071 4.6179 4.6431 4.6942 4.7378 4.7534 4.7586 4.7870 4.8020 5.2679 5.2757 5.3422 5.3841 5.5575 5.5805 5.9301 5.9321 6.2386 6.2619 6.2867 6.3415 6.4121 6.4315 6.5885 6.6162 6.9837 7.0048 7.0543 7.0697 8.1747 8.1768 8.3179 8.3297 8.4068 8.4180 10.6235 10.6243 k =-0.0993 0.1384 0.1703 ( 5139 PWs) bands (ev): -7.0868 -7.0868 -5.9858 -5.9858 -5.9786 -5.9786 -5.9004 -5.8959 1.3436 1.3496 1.9461 1.9547 1.9790 1.9871 2.1566 2.1567 2.1687 2.1693 2.6003 2.6029 2.7662 2.7918 2.8260 2.8444 2.9255 2.9501 3.0921 3.1142 3.2324 3.2449 3.2696 3.2752 4.2523 4.2920 4.3770 4.4310 4.4984 4.5142 4.6189 4.6378 4.6963 4.7338 4.7466 4.7527 4.7825 4.7970 5.2665 5.2741 5.3375 5.3731 5.5369 5.5554 5.9097 5.9125 6.2371 6.2515 6.2754 6.3434 6.4173 6.4440 6.5731 6.5975 6.9628 6.9814 7.0330 7.0499 8.2209 8.2231 8.3620 8.3728 8.4462 8.4565 10.5297 10.5305 k =-0.0910 0.1268 0.1561 ( 5135 PWs) bands (ev): -7.1028 -7.1028 -5.9759 -5.9758 -5.9686 -5.9686 -5.9001 -5.8960 1.3211 1.3265 1.9608 1.9689 1.9937 2.0010 2.1440 2.1442 2.1562 2.1569 2.6251 2.6278 2.7641 2.7891 2.8218 2.8398 2.9578 2.9807 3.0966 3.1177 3.2414 3.2520 3.2751 3.2804 4.2493 4.2889 4.3783 4.4305 4.5024 4.5215 4.6193 4.6327 4.6983 4.7294 4.7404 4.7461 4.7781 4.7927 5.2651 5.2730 5.3337 5.3620 5.5169 5.5302 5.8898 5.8932 6.2349 6.2411 6.2644 6.3421 6.4238 6.4571 6.5625 6.5817 6.9425 6.9594 7.0125 7.0299 8.2677 8.2699 8.4039 8.4137 8.4840 8.4932 10.4374 10.4382 k =-0.0827 0.1153 0.1419 ( 5133 PWs) bands (ev): -7.1174 -7.1174 -5.9667 -5.9667 -5.9593 -5.9593 -5.8999 -5.8961 1.3004 1.3053 1.9751 1.9826 2.0080 2.0146 2.1324 2.1327 2.1447 2.1454 2.6479 2.6506 2.7622 2.7863 2.8181 2.8356 2.9873 3.0078 3.1010 3.1212 3.2507 3.2593 3.2807 3.2856 4.2465 4.2854 4.3797 4.4296 4.5070 4.5289 4.6191 4.6281 4.6998 4.7249 4.7347 4.7392 4.7736 4.7889 5.2639 5.2725 5.3308 5.3508 5.4979 5.5057 5.8705 5.8743 6.2308 6.2322 6.2544 6.3373 6.4319 6.4704 6.5566 6.5690 6.9229 6.9388 6.9929 7.0100 8.3147 8.3168 8.4435 8.4522 8.5197 8.5279 10.3472 10.3480 k =-0.0744 0.1038 0.1277 ( 5129 PWs) bands (ev): -7.1308 -7.1308 -5.9583 -5.9583 -5.9509 -5.9509 -5.8997 -5.8962 1.2816 1.2859 1.9888 1.9957 2.0219 2.0276 2.1218 2.1223 2.1342 2.1349 2.6686 2.6714 2.7608 2.7836 2.8151 2.8317 3.0138 3.0314 3.1053 3.1247 3.2601 3.2668 3.2863 3.2907 4.2441 4.2816 4.3814 4.4283 4.5120 4.5364 4.6181 4.6237 4.7011 4.7208 4.7297 4.7324 4.7687 4.7850 5.2629 5.2725 5.3286 5.3397 5.4801 5.4822 5.8521 5.8562 6.2216 6.2282 6.2459 6.3292 6.4415 6.4838 6.5547 6.5596 6.9041 6.9197 6.9744 6.9903 8.3617 8.3638 8.4803 8.4881 8.5530 8.5602 10.2600 10.2608 k =-0.0662 0.0922 0.1135 ( 5129 PWs) bands (ev): -7.1428 -7.1428 -5.9508 -5.9507 -5.9433 -5.9433 -5.8994 -5.8964 1.2646 1.2685 2.0016 2.0080 2.0350 2.0399 2.1123 2.1130 2.1246 2.1255 2.6872 2.6900 2.7598 2.7810 2.8127 2.8282 3.0369 3.0513 3.1095 3.1280 3.2696 3.2744 3.2917 3.2955 4.2419 4.2775 4.3833 4.4267 4.5174 4.5438 4.6164 4.6197 4.7021 4.7173 4.7252 4.7261 4.7634 4.7809 5.2623 5.2729 5.3269 5.3291 5.4601 5.4637 5.8347 5.8390 6.2132 6.2228 6.2395 6.3187 6.4525 6.4969 6.5521 6.5569 6.8862 6.9018 6.9570 6.9710 8.4082 8.4102 8.5142 8.5210 8.5837 8.5899 10.1765 10.1772 k =-0.0579 0.0807 0.0993 ( 5137 PWs) bands (ev): -7.1534 -7.1534 -5.9441 -5.9440 -5.9365 -5.9365 -5.8992 -5.8965 1.2497 1.2530 2.0134 2.0192 2.0472 2.0512 2.1040 2.1048 2.1162 2.1172 2.7036 2.7064 2.7591 2.7785 2.8110 2.8251 3.0567 3.0676 3.1137 3.1313 3.2788 3.2819 3.2969 3.3001 4.2402 4.2732 4.3854 4.4248 4.5229 4.5508 4.6137 4.6160 4.7026 4.7146 4.7206 4.7214 4.7578 4.7764 5.2622 5.2737 5.3193 5.3255 5.4400 5.4489 5.8187 5.8228 6.2058 6.2165 6.2351 6.3069 6.4642 6.5095 6.5481 6.5601 6.8695 6.8853 6.9409 6.9526 8.4535 8.4556 8.5448 8.5508 8.6115 8.6168 10.0976 10.0984 k =-0.0496 0.0692 0.0851 ( 5139 PWs) bands (ev): -7.1627 -7.1627 -5.9382 -5.9382 -5.9306 -5.9306 -5.8990 -5.8967 1.2367 1.2395 2.0239 2.0291 2.0582 2.0612 2.0970 2.0979 2.1088 2.1100 2.7178 2.7204 2.7591 2.7763 2.8100 2.8224 3.0729 3.0805 3.1181 3.1346 3.2874 3.2893 3.3018 3.3042 4.2390 4.2687 4.3878 4.4227 4.5287 4.5573 4.6103 4.6126 4.7027 4.7128 4.7163 4.7181 4.7518 4.7713 5.2625 5.2744 5.3109 5.3239 5.4226 5.4357 5.8042 5.8081 6.1997 6.2101 6.2320 6.2946 6.4764 6.5213 6.5461 6.5644 6.8541 6.8701 6.9262 6.9354 8.4971 8.4991 8.5720 8.5771 8.6362 8.6406 10.0245 10.0252 k =-0.0414 0.0577 0.0710 ( 5139 PWs) bands (ev): -7.1706 -7.1706 -5.9332 -5.9332 -5.9256 -5.9256 -5.8988 -5.8969 1.2257 1.2280 2.0329 2.0375 2.0678 2.0698 2.0913 2.0924 2.1026 2.1041 2.7295 2.7317 2.7596 2.7742 2.8094 2.8199 3.0856 3.0904 3.1228 3.1377 3.2951 3.2962 3.3063 3.3079 4.2384 4.2643 4.3904 4.4203 4.5346 4.5632 4.6063 4.6096 4.7024 4.7117 4.7134 4.7159 4.7460 4.7658 5.2635 5.2749 5.3042 5.3215 5.4085 5.4241 5.7915 5.7950 6.1946 6.2040 6.2302 6.2826 6.4888 6.5323 6.5456 6.5689 6.8405 6.8561 6.9132 6.9199 8.5376 8.5396 8.5954 8.5998 8.6574 8.6610 9.9584 9.9591 k =-0.0331 0.0461 0.0568 ( 5143 PWs) bands (ev): -7.1770 -7.1770 -5.9291 -5.9291 -5.9215 -5.9215 -5.8986 -5.8970 1.2167 1.2186 2.0402 2.0441 2.0757 2.0764 2.0870 2.0884 2.0977 2.0996 2.7387 2.7403 2.7609 2.7725 2.8093 2.8179 3.0948 3.0976 3.1278 3.1405 3.3016 3.3025 3.3102 3.3111 4.2383 4.2598 4.3932 4.4178 4.5407 4.5680 4.6019 4.6067 4.7018 4.7104 4.7121 4.7152 4.7404 4.7599 5.2649 5.2750 5.2995 5.3179 5.3981 5.4142 5.7807 5.7838 6.1907 6.1987 6.2294 6.2714 6.5008 6.5414 6.5467 6.5728 6.8289 6.8435 6.9020 6.9064 8.5739 8.5760 8.6148 8.6188 8.6752 8.6780 9.9008 9.9014 k =-0.0248 0.0346 0.0426 ( 5143 PWs) bands (ev): -7.1820 -7.1820 -5.9259 -5.9259 -5.9183 -5.9183 -5.8984 -5.8972 1.2097 1.2111 2.0457 2.0488 2.0802 2.0813 2.0844 2.0863 2.0945 2.0967 2.7454 2.7461 2.7632 2.7714 2.8096 2.8161 3.1011 3.1026 3.1328 3.1426 3.3068 3.3078 3.3133 3.3139 4.2390 4.2555 4.3961 4.4149 4.5468 4.5711 4.5979 4.6039 4.7014 4.7086 4.7118 4.7161 4.7357 4.7538 5.2667 5.2746 5.2967 5.3132 5.3916 5.4058 5.7722 5.7746 6.1880 6.1942 6.2297 6.2613 6.5120 6.5442 6.5530 6.5755 6.8200 6.8324 6.8930 6.8956 8.6044 8.6067 8.6303 8.6340 8.6892 8.6914 9.8533 9.8538 k =-0.0165 0.0231 0.0284 ( 5143 PWs) bands (ev): -7.1856 -7.1856 -5.9236 -5.9236 -5.9160 -5.9160 -5.8982 -5.8974 1.2048 1.2058 2.0495 2.0516 2.0809 2.0820 2.0850 2.0860 2.0937 2.0959 2.7494 2.7496 2.7659 2.7707 2.8103 2.8146 3.1050 3.1058 3.1372 3.1439 3.3106 3.3117 3.3152 3.3162 4.2403 4.2515 4.3992 4.4120 4.5530 4.5717 4.5955 4.6013 4.7016 4.7068 4.7124 4.7171 4.7330 4.7477 5.2687 5.2741 5.2958 5.3078 5.3887 5.3991 5.7661 5.7678 6.1864 6.1907 6.2314 6.2524 6.5220 6.5435 6.5607 6.5764 6.8141 6.8232 6.8862 6.8876 8.6273 8.6298 8.6420 8.6454 8.6994 8.7009 9.8178 9.8181 k =-0.0083 0.0115 0.0142 ( 5153 PWs) bands (ev): -7.1878 -7.1878 -5.9223 -5.9223 -5.9146 -5.9146 -5.8980 -5.8976 1.2020 1.2024 2.0518 2.0528 2.0807 2.0813 2.0853 2.0857 2.0949 2.0961 2.7512 2.7516 2.7681 2.7703 2.8112 2.8134 3.1072 3.1075 3.1407 3.1440 3.3130 3.3139 3.3167 3.3176 4.2422 4.2479 4.4024 4.4088 4.5590 4.5692 4.5953 4.5989 4.7023 4.7051 4.7136 4.7168 4.7333 4.7418 5.2706 5.2733 5.2964 5.3028 5.3884 5.3939 5.7626 5.7634 6.1859 6.1881 6.2344 6.2449 6.5303 6.5411 6.5672 6.5753 6.8115 6.8164 6.8821 6.8826 8.6410 8.6428 8.6506 8.6529 8.7058 8.7065 9.7957 9.7958 k = 0.0000 0.0000 0.0000 ( 5157 PWs) bands (ev): -7.1885 -7.1885 -5.9218 -5.9218 -5.9141 -5.9141 -5.8978 -5.8978 1.2012 1.2012 2.0528 2.0528 2.0808 2.0808 2.0853 2.0853 2.0959 2.0959 2.7520 2.7520 2.7696 2.7696 2.8123 2.8123 3.1080 3.1080 3.1430 3.1430 3.3142 3.3142 3.3177 3.3177 4.2447 4.2447 4.4056 4.4056 4.5646 4.5646 4.5967 4.5967 4.7035 4.7035 4.7152 4.7152 4.7367 4.7367 5.2721 5.2721 5.2988 5.2988 5.3902 5.3902 5.7616 5.7616 6.1864 6.1864 6.2389 6.2389 6.5367 6.5367 6.5722 6.5722 6.8123 6.8123 6.8808 6.8808 8.6458 8.6458 8.6552 8.6552 8.7082 8.7082 9.7882 9.7882 k = 0.0000 0.0000 0.0000 ( 5157 PWs) bands (ev): -7.1885 -7.1885 -5.9218 -5.9218 -5.9141 -5.9141 -5.8978 -5.8978 1.2012 1.2012 2.0528 2.0528 2.0808 2.0808 2.0853 2.0853 2.0959 2.0959 2.7520 2.7520 2.7696 2.7696 2.8123 2.8123 3.1080 3.1080 3.1430 3.1430 3.3142 3.3142 3.3177 3.3177 4.2447 4.2447 4.4056 4.4056 4.5646 4.5646 4.5967 4.5967 4.7035 4.7035 4.7152 4.7152 4.7367 4.7367 5.2721 5.2721 5.2988 5.2988 5.3902 5.3902 5.7616 5.7616 6.1864 6.1864 6.2389 6.2389 6.5367 6.5367 6.5722 6.5722 6.8123 6.8123 6.8808 6.8808 8.6458 8.6458 8.6552 8.6552 8.7082 8.7082 9.7882 9.7882 k = 0.0161 0.0116 0.0000 ( 5141 PWs) bands (ev): -7.1878 -7.1878 -5.9218 -5.9218 -5.9141 -5.9141 -5.8988 -5.8988 1.2019 1.2019 2.0146 2.0146 2.0396 2.0396 2.1197 2.1197 2.1425 2.1425 2.7521 2.7521 2.7697 2.7697 2.8113 2.8113 3.1077 3.1077 3.1427 3.1427 3.3142 3.3142 3.3178 3.3178 4.2450 4.2450 4.4055 4.4055 4.5640 4.5640 4.5969 4.5969 4.7009 4.7009 4.7155 4.7155 4.7409 4.7409 5.2728 5.2728 5.2993 5.2993 5.3906 5.3906 5.7622 5.7622 6.1862 6.1862 6.2403 6.2403 6.5376 6.5376 6.5731 6.5731 6.8116 6.8116 6.8803 6.8803 8.6437 8.6437 8.6531 8.6531 8.7032 8.7032 9.7958 9.7958 k = 0.0323 0.0231 0.0000 ( 5149 PWs) bands (ev): -7.1857 -7.1857 -5.9219 -5.9219 -5.9142 -5.9142 -5.9018 -5.9018 1.2042 1.2042 1.9659 1.9659 1.9898 1.9898 2.1703 2.1703 2.1947 2.1947 2.7524 2.7524 2.7696 2.7696 2.8084 2.8084 3.1067 3.1067 3.1420 3.1420 3.3142 3.3142 3.3180 3.3180 4.2458 4.2458 4.4049 4.4049 4.5619 4.5619 4.5974 4.5974 4.6955 4.6955 4.7163 4.7163 4.7509 4.7509 5.2745 5.2745 5.3007 5.3007 5.3917 5.3917 5.7637 5.7637 6.1854 6.1854 6.2445 6.2445 6.5402 6.5402 6.5755 6.5755 6.8091 6.8091 6.8784 6.8784 8.6372 8.6372 8.6466 8.6466 8.6885 8.6885 9.8182 9.8182 k = 0.0484 0.0347 0.0000 ( 5145 PWs) bands (ev): -7.1822 -7.1822 -5.9220 -5.9220 -5.9144 -5.9144 -5.9067 -5.9067 1.2081 1.2081 1.9174 1.9174 1.9411 1.9411 2.2217 2.2217 2.2474 2.2474 2.7529 2.7529 2.7695 2.7695 2.8039 2.8039 3.1050 3.1050 3.1406 3.1406 3.3143 3.3143 3.3184 3.3184 4.2471 4.2471 4.4041 4.4041 4.5587 4.5587 4.5981 4.5981 4.6902 4.6902 4.7177 4.7177 4.7636 4.7636 5.2774 5.2774 5.3030 5.3030 5.3935 5.3935 5.7663 5.7663 6.1841 6.1841 6.2515 6.2515 6.5446 6.5446 6.5795 6.5795 6.8051 6.8051 6.8754 6.8754 8.6264 8.6264 8.6357 8.6357 8.6658 8.6658 9.8542 9.8542 k = 0.0645 0.0463 0.0000 ( 5137 PWs) bands (ev): -7.1773 -7.1773 -5.9221 -5.9221 -5.9145 -5.9145 -5.9136 -5.9136 1.2133 1.2133 1.8697 1.8697 1.8936 1.8936 2.2735 2.2735 2.3005 2.3005 2.7537 2.7537 2.7690 2.7690 2.7981 2.7981 3.1026 3.1026 3.1386 3.1386 3.3144 3.3144 3.3189 3.3189 4.2489 4.2489 4.4029 4.4029 4.5542 4.5542 4.5989 4.5989 4.6863 4.6863 4.7197 4.7197 4.7781 4.7781 5.2815 5.2815 5.3063 5.3063 5.3960 5.3960 5.7699 5.7699 6.1823 6.1823 6.2612 6.2612 6.5506 6.5506 6.5850 6.5850 6.7994 6.7994 6.8713 6.8713 8.6111 8.6111 8.6195 8.6195 8.6378 8.6378 9.9021 9.9021 k = 0.0806 0.0579 0.0000 ( 5145 PWs) bands (ev): -7.1710 -7.1710 -5.9229 -5.9229 -5.9218 -5.9218 -5.9148 -5.9148 1.2200 1.2200 1.8229 1.8229 1.8475 1.8475 2.3252 2.3252 2.3538 2.3538 2.7545 2.7545 2.7672 2.7672 2.7920 2.7920 3.0995 3.0995 3.1360 3.1360 3.3147 3.3147 3.3196 3.3196 4.2511 4.2511 4.4015 4.4015 4.5487 4.5487 4.5996 4.5996 4.6841 4.6841 4.7223 4.7223 4.7937 4.7937 5.2866 5.2866 5.3105 5.3105 5.3993 5.3993 5.7743 5.7743 6.1800 6.1800 6.2734 6.2734 6.5583 6.5583 6.5920 6.5920 6.7921 6.7921 6.8663 6.8663 8.5884 8.5884 8.5965 8.5965 8.6106 8.6106 9.9600 9.9600 k = 0.0968 0.0694 0.0000 ( 5153 PWs) bands (ev): -7.1633 -7.1633 -5.9332 -5.9332 -5.9223 -5.9223 -5.9150 -5.9150 1.2280 1.2280 1.7773 1.7773 1.8028 1.8028 2.3765 2.3765 2.4071 2.4071 2.7551 2.7551 2.7631 2.7631 2.7874 2.7874 3.0957 3.0957 3.1328 3.1328 3.3150 3.3150 3.3205 3.3205 4.2539 4.2539 4.3997 4.3997 4.5424 4.5424 4.6004 4.6004 4.6836 4.6836 4.7252 4.7252 4.8104 4.8104 5.2927 5.2927 5.3156 5.3156 5.4033 5.4033 5.7795 5.7795 6.1773 6.1773 6.2881 6.2881 6.5676 6.5676 6.6003 6.6003 6.7831 6.7831 6.8606 6.8606 8.5530 8.5530 8.5722 8.5722 8.5860 8.5860 10.0263 10.0263 k = 0.1129 0.0810 0.0000 ( 5169 PWs) bands (ev): -7.1543 -7.1543 -5.9458 -5.9458 -5.9225 -5.9225 -5.9154 -5.9154 1.2373 1.2373 1.7328 1.7328 1.7599 1.7599 2.4270 2.4270 2.4601 2.4601 2.7517 2.7517 2.7596 2.7596 2.7854 2.7854 3.0913 3.0913 3.1289 3.1289 3.3156 3.3156 3.3216 3.3216 4.2571 4.2571 4.3976 4.3976 4.5354 4.5354 4.6010 4.6010 4.6848 4.6848 4.7287 4.7287 4.8278 4.8278 5.2999 5.2999 5.3216 5.3216 5.4080 5.4080 5.7854 5.7854 6.1739 6.1739 6.3050 6.3050 6.5787 6.5787 6.6100 6.6100 6.7727 6.7727 6.8544 6.8544 8.5117 8.5117 8.5456 8.5456 8.5596 8.5596 10.0996 10.0996 k = 0.1290 0.0926 0.0000 ( 5165 PWs) bands (ev): -7.1439 -7.1439 -5.9601 -5.9601 -5.9228 -5.9228 -5.9157 -5.9157 1.2477 1.2477 1.6897 1.6897 1.7188 1.7188 2.4758 2.4758 2.5125 2.5125 2.7421 2.7421 2.7604 2.7604 2.7856 2.7856 3.0863 3.0863 3.1244 3.1244 3.3164 3.3164 3.3229 3.3229 4.2608 4.2608 4.3954 4.3954 4.5280 4.5280 4.6016 4.6016 4.6874 4.6874 4.7327 4.7327 4.8462 4.8462 5.3079 5.3079 5.3286 5.3286 5.4136 5.4136 5.7920 5.7920 6.1703 6.1703 6.3240 6.3240 6.5915 6.5915 6.6209 6.6209 6.7609 6.7609 6.8481 6.8481 8.4681 8.4681 8.5158 8.5158 8.5304 8.5304 10.1784 10.1784 k = 0.1452 0.1041 0.0000 ( 5169 PWs) bands (ev): -7.1321 -7.1321 -5.9761 -5.9761 -5.9230 -5.9230 -5.9161 -5.9161 1.2591 1.2591 1.6478 1.6478 1.6798 1.6798 2.5215 2.5215 2.5641 2.5641 2.7320 2.7320 2.7623 2.7623 2.7869 2.7869 3.0806 3.0806 3.1192 3.1192 3.3174 3.3174 3.3244 3.3244 4.2650 4.2650 4.3928 4.3928 4.5205 4.5205 4.6021 4.6021 4.6912 4.6912 4.7371 4.7371 4.8653 4.8653 5.3168 5.3168 5.3365 5.3365 5.4199 5.4199 5.7992 5.7992 6.1661 6.1661 6.3446 6.3446 6.6058 6.6058 6.6322 6.6322 6.7482 6.7482 6.8420 6.8420 8.4232 8.4232 8.4828 8.4828 8.4981 8.4981 10.2619 10.2619 k = 0.1613 0.1157 0.0000 ( 5153 PWs) bands (ev): -7.1191 -7.1191 -5.9939 -5.9939 -5.9233 -5.9233 -5.9166 -5.9166 1.2711 1.2711 1.6074 1.6074 1.6434 1.6434 2.5603 2.5603 2.6143 2.6143 2.7263 2.7263 2.7646 2.7646 2.7890 2.7890 3.0744 3.0744 3.1133 3.1133 3.3187 3.3187 3.3261 3.3261 4.2695 4.2695 4.3902 4.3902 4.5131 4.5131 4.6026 4.6026 4.6961 4.6961 4.7418 4.7418 4.8854 4.8854 5.3263 5.3263 5.3454 5.3454 5.4269 5.4269 5.8070 5.8070 6.1617 6.1617 6.3663 6.3663 6.6215 6.6215 6.6430 6.6430 6.7359 6.7359 6.8367 6.8367 8.3780 8.3780 8.4469 8.4469 8.4630 8.4630 10.3491 10.3491 k = 0.1774 0.1273 0.0000 ( 5173 PWs) bands (ev): -7.1047 -7.1047 -6.0132 -6.0132 -5.9236 -5.9236 -5.9170 -5.9170 1.2833 1.2833 1.5685 1.5685 1.6098 1.6098 2.5852 2.5852 2.6626 2.6626 2.7323 2.7323 2.7672 2.7672 2.7916 2.7916 3.0675 3.0675 3.1068 3.1068 3.3203 3.3203 3.3279 3.3279 4.2743 4.2743 4.3874 4.3874 4.5058 4.5058 4.6028 4.6028 4.7016 4.7016 4.7467 4.7467 4.9061 4.9061 5.3363 5.3363 5.3552 5.3552 5.4345 5.4345 5.8151 5.8151 6.1569 6.1569 6.3883 6.3883 6.6381 6.6381 6.6510 6.6510 6.7266 6.7266 6.8327 6.8327 8.3326 8.3326 8.4081 8.4081 8.4252 8.4252 10.4391 10.4391 k = 0.1935 0.1389 0.0000 ( 5181 PWs) bands (ev): -7.0891 -7.0891 -6.0340 -6.0340 -5.9238 -5.9238 -5.9176 -5.9176 1.2950 1.2950 1.5311 1.5311 1.5799 1.5799 2.5899 2.5899 2.7091 2.7091 2.7560 2.7560 2.7701 2.7701 2.7950 2.7950 3.0602 3.0602 3.0997 3.0997 3.3221 3.3221 3.3300 3.3300 4.2794 4.2794 4.3846 4.3846 4.4989 4.4989 4.6030 4.6030 4.7078 4.7078 4.7518 4.7518 4.9278 4.9278 5.3468 5.3468 5.3661 5.3661 5.4429 5.4429 5.8237 5.8237 6.1518 6.1518 6.4097 6.4097 6.6467 6.6467 6.6602 6.6602 6.7254 6.7254 6.8312 6.8312 8.2874 8.2874 8.3668 8.3668 8.3848 8.3848 10.5314 10.5314 k = 0.2097 0.1504 0.0000 ( 5181 PWs) bands (ev): -7.0722 -7.0722 -6.0563 -6.0563 -5.9241 -5.9241 -5.9181 -5.9181 1.3052 1.3052 1.4952 1.4952 1.5546 1.5546 2.5787 2.5787 2.7538 2.7538 2.7734 2.7734 2.7904 2.7904 2.8014 2.8014 3.0525 3.0525 3.0922 3.0922 3.3242 3.3242 3.3322 3.3322 4.2847 4.2847 4.3817 4.3817 4.4925 4.4925 4.6030 4.6030 4.7145 4.7145 4.7572 4.7572 4.9503 4.9503 5.3575 5.3575 5.3781 5.3781 5.4519 5.4519 5.8327 5.8327 6.1465 6.1465 6.4295 6.4295 6.6364 6.6364 6.6791 6.6791 6.7344 6.7344 6.8331 6.8331 8.2425 8.2425 8.3232 8.3232 8.3422 8.3422 10.6250 10.6250 k = 0.2258 0.1620 0.0000 ( 5177 PWs) bands (ev): -7.0541 -7.0541 -6.0799 -6.0799 -5.9244 -5.9244 -5.9186 -5.9186 1.3125 1.3125 1.4611 1.4611 1.5354 1.5354 2.5586 2.5586 2.7764 2.7764 2.7924 2.7924 2.8078 2.8078 2.8363 2.8363 3.0444 3.0444 3.0842 3.0842 3.3265 3.3265 3.3345 3.3345 4.2900 4.2900 4.3788 4.3788 4.4868 4.4868 4.6028 4.6028 4.7215 4.7215 4.7627 4.7627 4.9738 4.9738 5.3686 5.3686 5.3910 5.3910 5.4615 5.4615 5.8421 5.8421 6.1410 6.1410 6.4462 6.4462 6.6179 6.6179 6.7002 6.7002 6.7505 6.7505 6.8397 6.8397 8.1981 8.1981 8.2777 8.2777 8.2976 8.2976 10.7196 10.7196 k = 0.2419 0.1736 0.0000 ( 5189 PWs) bands (ev): -7.0348 -7.0348 -6.1048 -6.1048 -5.9247 -5.9247 -5.9192 -5.9192 1.3154 1.3154 1.4286 1.4286 1.5239 1.5239 2.5335 2.5335 2.7803 2.7803 2.8025 2.8025 2.8455 2.8455 2.8790 2.8790 3.0358 3.0359 3.0758 3.0758 3.3289 3.3289 3.3369 3.3369 4.2952 4.2952 4.3760 4.3760 4.4819 4.4819 4.6022 4.6022 4.7287 4.7287 4.7681 4.7681 4.9982 4.9982 5.3798 5.3798 5.4046 5.4046 5.4715 5.4715 5.8518 5.8518 6.1354 6.1354 6.4586 6.4586 6.5952 6.5952 6.7226 6.7226 6.7708 6.7708 6.8519 6.8519 8.1541 8.1541 8.2303 8.2303 8.2511 8.2511 10.8142 10.8142 k = 0.2581 0.1851 0.0000 ( 5185 PWs) bands (ev): -7.0143 -7.0143 -6.1309 -6.1309 -5.9250 -5.9250 -5.9197 -5.9197 1.3126 1.3126 1.3979 1.3979 1.5212 1.5212 2.5052 2.5052 2.7844 2.7844 2.8076 2.8076 2.8871 2.8871 2.9213 2.9213 3.0271 3.0271 3.0672 3.0672 3.3316 3.3316 3.3394 3.3394 4.3003 4.3003 4.3735 4.3735 4.4779 4.4779 4.6015 4.6015 4.7360 4.7360 4.7736 4.7736 5.0236 5.0236 5.3912 5.3912 5.4189 5.4189 5.4818 5.4818 5.8619 5.8619 6.1298 6.1298 6.4656 6.4656 6.5698 6.5698 6.7466 6.7466 6.7942 6.7942 6.8701 6.8701 8.1105 8.1105 8.1815 8.1815 8.2032 8.2032 10.9083 10.9083 k = 0.2742 0.1967 0.0000 ( 5177 PWs) bands (ev): -6.9928 -6.9928 -6.1580 -6.1580 -5.9253 -5.9253 -5.9203 -5.9203 1.3043 1.3043 1.3689 1.3689 1.5271 1.5271 2.4747 2.4747 2.7887 2.7887 2.8124 2.8124 2.9272 2.9272 2.9621 2.9621 3.0182 3.0182 3.0588 3.0588 3.3343 3.3343 3.3420 3.3420 4.3050 4.3050 4.3710 4.3710 4.4750 4.4750 4.6004 4.6004 4.7433 4.7433 4.7789 4.7789 5.0499 5.0499 5.4027 5.4027 5.4337 5.4337 5.4923 5.4923 5.8725 5.8725 6.1244 6.1244 6.4665 6.4665 6.5428 6.5428 6.7726 6.7726 6.8202 6.8202 6.8941 6.8941 8.0671 8.0671 8.1316 8.1316 8.1540 8.1540 11.0011 11.0011 k = 0.2903 0.2083 0.0000 ( 5169 PWs) bands (ev): -6.9701 -6.9701 -6.1861 -6.1861 -5.9255 -5.9255 -5.9208 -5.9208 1.2919 1.2919 1.3418 1.3418 1.5403 1.5403 2.4423 2.4423 2.7933 2.7933 2.8173 2.8173 2.9647 2.9647 2.9992 2.9992 3.0109 3.0109 3.0512 3.0512 3.3371 3.3371 3.3445 3.3445 4.3093 4.3093 4.3686 4.3686 4.4733 4.4733 4.5990 4.5990 4.7506 4.7506 4.7840 4.7840 5.0772 5.0772 5.4143 5.4143 5.4488 5.4488 5.5029 5.5029 5.8835 5.8835 6.1192 6.1192 6.4615 6.4615 6.5145 6.5145 6.8008 6.8008 6.8483 6.8483 6.9232 6.9232 8.0237 8.0237 8.0808 8.0808 8.1039 8.1039 11.0918 11.0918 k = 0.3065 0.2199 0.0000 ( 5181 PWs) bands (ev): -6.9464 -6.9464 -6.2151 -6.2151 -5.9258 -5.9258 -5.9214 -5.9214 1.2772 1.2772 1.3165 1.3165 1.5590 1.5590 2.4084 2.4084 2.7982 2.7982 2.8225 2.8225 2.9965 2.9965 2.9987 2.9987 3.0375 3.0375 3.0483 3.0483 3.3399 3.3399 3.3470 3.3470 4.3129 4.3129 4.3663 4.3663 4.4728 4.4728 4.5971 4.5971 4.7576 4.7576 4.7888 4.7888 5.1053 5.1053 5.4256 5.4256 5.4638 5.4638 5.5133 5.5133 5.8948 5.8948 6.1142 6.1142 6.4506 6.4506 6.4860 6.4860 6.8313 6.8313 6.8785 6.8785 6.9565 6.9565 7.9800 7.9800 8.0295 8.0295 8.0531 8.0531 11.1795 11.1795 k = 0.3226 0.2314 0.0000 ( 5173 PWs) bands (ev): -6.9217 -6.9217 -6.2450 -6.2450 -5.9260 -5.9260 -5.9219 -5.9219 1.2615 1.2615 1.2931 1.2931 1.5819 1.5819 2.3733 2.3733 2.8033 2.8033 2.8280 2.8280 2.9895 2.9895 3.0120 3.0120 3.0554 3.0554 3.0742 3.0742 3.3428 3.3428 3.3495 3.3495 4.3160 4.3160 4.3641 4.3641 4.4738 4.4738 4.5949 4.5949 4.7646 4.7646 4.7934 4.7934 5.1342 5.1342 5.4366 5.4366 5.4788 5.4788 5.5234 5.5234 5.9068 5.9068 6.1100 6.1100 6.4335 6.4335 6.4586 6.4586 6.8639 6.8639 6.9104 6.9104 6.9935 6.9935 7.9357 7.9357 7.9782 7.9782 8.0021 8.0021 11.2507 11.2507 k = 0.3387 0.2430 0.0000 ( 5173 PWs) bands (ev): -6.8960 -6.8960 -6.2755 -6.2755 -5.9262 -5.9262 -5.9225 -5.9225 1.2458 1.2458 1.2715 1.2715 1.6077 1.6077 2.3371 2.3371 2.8087 2.8087 2.8336 2.8336 2.9801 2.9801 3.0093 3.0093 3.0812 3.0812 3.1055 3.1055 3.3455 3.3455 3.3518 3.3518 4.3185 4.3185 4.3618 4.3618 4.4760 4.4760 4.5922 4.5922 4.7712 4.7712 4.7977 4.7977 5.1637 5.1637 5.4471 5.4471 5.4934 5.4934 5.5332 5.5332 5.9192 5.9192 6.1064 6.1064 6.4097 6.4097 6.4340 6.4340 6.8984 6.8984 6.9439 6.9439 7.0332 7.0332 7.8901 7.8901 7.9272 7.9272 7.9513 7.9513 11.2820 11.2820 k = 0.3548 0.2546 0.0000 ( 5161 PWs) bands (ev): -6.8694 -6.8694 -6.3066 -6.3066 -5.9263 -5.9263 -5.9230 -5.9230 1.2308 1.2308 1.2519 1.2519 1.6360 1.6360 2.3001 2.3001 2.8144 2.8144 2.8395 2.8395 2.9707 2.9707 3.0015 3.0015 3.1092 3.1092 3.1343 3.1343 3.3483 3.3483 3.3540 3.3540 4.3206 4.3206 4.3595 4.3595 4.4796 4.4796 4.5892 4.5892 4.7776 4.7776 4.8016 4.8016 5.1938 5.1938 5.4566 5.4566 5.5075 5.5075 5.5423 5.5423 5.9322 5.9323 6.1039 6.1039 6.3813 6.3813 6.4113 6.4113 6.9345 6.9345 6.9789 6.9789 7.0751 7.0751 7.8429 7.8429 7.8768 7.8768 7.9014 7.9014 11.3147 11.3147 k = 0.3710 0.2661 0.0000 ( 5161 PWs) bands (ev): -6.8420 -6.8420 -6.3382 -6.3382 -5.9265 -5.9265 -5.9235 -5.9235 1.2168 1.2168 1.2343 1.2343 1.6662 1.6662 2.2624 2.2624 2.8205 2.8205 2.8457 2.8457 2.9614 2.9614 2.9924 2.9924 3.1358 3.1358 3.1600 3.1600 3.3508 3.3508 3.3561 3.3561 4.3224 4.3224 4.3572 4.3572 4.4843 4.4843 4.5856 4.5856 4.7834 4.7834 4.8049 4.8049 5.2241 5.2241 5.4648 5.4648 5.5207 5.5207 5.5506 5.5506 5.9459 5.9459 6.1026 6.1026 6.3511 6.3511 6.3885 6.3885 6.9720 6.9720 7.0150 7.0150 7.1187 7.1187 7.7942 7.7942 7.8268 7.8268 7.8529 7.8529 11.2972 11.2972 k = 0.3871 0.2777 0.0000 ( 5162 PWs) bands (ev): -6.8137 -6.8137 -6.3703 -6.3703 -5.9266 -5.9266 -5.9239 -5.9239 1.2042 1.2042 1.2185 1.2185 1.6981 1.6981 2.2240 2.2240 2.8267 2.8267 2.8519 2.8519 2.9523 2.9523 2.9830 2.9830 3.1601 3.1601 3.1826 3.1826 3.3532 3.3532 3.3579 3.3579 4.3239 4.3239 4.3546 4.3546 4.4900 4.4900 4.5815 4.5815 4.7889 4.7889 4.8079 4.8079 5.2544 5.2544 5.4714 5.4714 5.5330 5.5330 5.5581 5.5581 5.9603 5.9603 6.1026 6.1026 6.3207 6.3207 6.3651 6.3651 7.0107 7.0107 7.0522 7.0522 7.1635 7.1635 7.7445 7.7445 7.7769 7.7769 7.8061 7.8061 11.2480 11.2481 k = 0.4032 0.2893 0.0000 ( 5170 PWs) bands (ev): -6.7847 -6.7847 -6.4026 -6.4026 -5.9267 -5.9267 -5.9244 -5.9244 1.1931 1.1931 1.2048 1.2048 1.7313 1.7313 2.1853 2.1853 2.8332 2.8332 2.8582 2.8582 2.9434 2.9434 2.9734 2.9734 3.1817 3.1817 3.2020 3.2020 3.3555 3.3555 3.3596 3.3596 4.3253 4.3253 4.3519 4.3519 4.4964 4.4964 4.5770 4.5770 4.7939 4.7939 4.8103 4.8103 5.2843 5.2843 5.4758 5.4758 5.5440 5.5440 5.5645 5.5645 5.9754 5.9754 6.1040 6.1040 6.2911 6.2911 6.3412 6.3412 7.0502 7.0502 7.0900 7.0900 7.2090 7.2090 7.6947 7.6947 7.7271 7.7271 7.7607 7.7607 11.2050 11.2051 k = 0.4194 0.3009 0.0000 ( 5166 PWs) bands (ev): -6.7551 -6.7551 -6.4352 -6.4352 -5.9267 -5.9267 -5.9248 -5.9248 1.1837 1.1837 1.1930 1.1930 1.7658 1.7658 2.1462 2.1462 2.8398 2.8398 2.8644 2.8644 2.9352 2.9352 2.9641 2.9641 3.2006 3.2006 3.2182 3.2182 3.3575 3.3575 3.3610 3.3610 4.3267 4.3267 4.3492 4.3492 4.5033 4.5033 4.5720 4.5720 4.7984 4.7984 4.8121 4.8121 5.3137 5.3137 5.4775 5.4775 5.5537 5.5537 5.5699 5.5699 5.9914 5.9914 6.1064 6.1064 6.2632 6.2632 6.3172 6.3172 7.0904 7.0904 7.1282 7.1282 7.2550 7.2550 7.6457 7.6457 7.6782 7.6782 7.7162 7.7162 11.1684 11.1685 k = 0.4355 0.3124 0.0000 ( 5166 PWs) bands (ev): -6.7247 -6.7247 -6.4679 -6.4679 -5.9267 -5.9267 -5.9252 -5.9252 1.1760 1.1760 1.1832 1.1832 1.8013 1.8013 2.1070 2.1070 2.8466 2.8466 2.8701 2.8701 2.9279 2.9279 2.9548 2.9548 3.2164 3.2164 3.2310 3.2310 3.3593 3.3593 3.3621 3.3621 4.3283 4.3283 4.3465 4.3465 4.5106 4.5106 4.5665 4.5665 4.8024 4.8024 4.8134 4.8134 5.3419 5.3419 5.4762 5.4762 5.5619 5.5619 5.5742 5.5742 6.0083 6.0083 6.1092 6.1092 6.2383 6.2383 6.2936 6.2936 7.1304 7.1304 7.1656 7.1656 7.3011 7.3011 7.5988 7.5988 7.6308 7.6308 7.6723 7.6723 11.1383 11.1387 k = 0.4516 0.3240 0.0000 ( 5174 PWs) bands (ev): -6.6939 -6.6939 -6.5007 -6.5007 -5.9267 -5.9267 -5.9255 -5.9255 1.1701 1.1701 1.1754 1.1754 1.8376 1.8376 2.0677 2.0677 2.8535 2.8535 2.8747 2.8747 2.9221 2.9221 2.9459 2.9459 3.2293 3.2293 3.2405 3.2405 3.3608 3.3608 3.3629 3.3629 4.3300 4.3300 4.3438 4.3438 4.5181 4.5181 4.5607 4.5607 4.8058 4.8058 4.8140 4.8140 5.3686 5.3686 5.4713 5.4713 5.5685 5.5685 5.5772 5.5772 6.0260 6.0260 6.1104 6.1104 6.2188 6.2188 6.2708 6.2708 7.1693 7.1693 7.2007 7.2007 7.3467 7.3467 7.5555 7.5555 7.5865 7.5865 7.6288 7.6288 11.1149 11.1157 k = 0.4677 0.3356 0.0000 ( 5178 PWs) bands (ev): -6.6625 -6.6625 -6.5335 -6.5335 -5.9266 -5.9266 -5.9258 -5.9258 1.1662 1.1662 1.1696 1.1696 1.8747 1.8747 2.0285 2.0285 2.8603 2.8603 2.8771 2.8771 2.9190 2.9190 2.9375 2.9375 3.2391 3.2391 3.2467 3.2467 3.3620 3.3620 3.3635 3.3635 4.3318 4.3318 4.3411 4.3411 4.5257 4.5257 4.5543 4.5543 4.8086 4.8086 4.8142 4.8142 5.3933 5.3933 5.4628 5.4628 5.5736 5.5736 5.5792 5.5792 6.0444 6.0444 6.1069 6.1069 6.2078 6.2078 6.2496 6.2496 7.2053 7.2053 7.2305 7.2305 7.3915 7.3915 7.5186 7.5186 7.5476 7.5476 7.5860 7.5860 11.0986 11.0989 k = 0.4839 0.3471 0.0000 ( 5186 PWs) bands (ev): -6.6307 -6.6307 -6.5661 -6.5661 -5.9265 -5.9265 -5.9261 -5.9261 1.1641 1.1641 1.1658 1.1658 1.9125 1.9125 1.9895 1.9895 2.8667 2.8667 2.8762 2.8762 2.9195 2.9195 2.9298 2.9298 3.2458 3.2458 3.2496 3.2496 3.3629 3.3629 3.3637 3.3637 4.3339 4.3339 4.3386 4.3386 4.5332 4.5332 4.5476 4.5476 4.8109 4.8109 4.8137 4.8137 5.4154 5.4154 5.4505 5.4505 5.5771 5.5771 5.5799 5.5799 6.0631 6.0631 6.0967 6.0967 6.2074 6.2074 6.2309 6.2309 7.2346 7.2346 7.2495 7.2495 7.4337 7.4337 7.4911 7.4911 7.5199 7.5199 7.5458 7.5458 11.0893 11.0900 k = 0.5000 0.3587 0.0000 ( 5186 PWs) bands (ev): -6.5985 -6.5985 -6.5985 -6.5985 -5.9263 -5.9263 -5.9263 -5.9263 1.1640 1.1640 1.1640 1.1640 1.9508 1.9508 1.9508 1.9508 2.8723 2.8723 2.8723 2.8723 2.9236 2.9236 2.9236 2.9236 3.2493 3.2493 3.2493 3.2493 3.3635 3.3635 3.3635 3.3635 4.3361 4.3361 4.3361 4.3361 4.5406 4.5406 4.5406 4.5406 4.8126 4.8126 4.8126 4.8126 5.4346 5.4346 5.4346 5.4346 5.5792 5.5792 5.5792 5.5792 6.0811 6.0811 6.0811 6.0811 6.2161 6.2161 6.2161 6.2161 7.2512 7.2512 7.2512 7.2512 7.4678 7.4678 7.4678 7.4678 7.5174 7.5174 7.5174 7.5174 11.0859 11.0859 k = 0.5000 0.3587 0.0000 ( 5186 PWs) bands (ev): -6.5985 -6.5985 -6.5985 -6.5985 -5.9263 -5.9263 -5.9263 -5.9263 1.1640 1.1640 1.1640 1.1640 1.9508 1.9508 1.9508 1.9508 2.8723 2.8723 2.8723 2.8723 2.9236 2.9236 2.9236 2.9236 3.2493 3.2493 3.2493 3.2493 3.3635 3.3635 3.3635 3.3635 4.3361 4.3361 4.3361 4.3361 4.5406 4.5406 4.5406 4.5406 4.8126 4.8126 4.8126 4.8126 5.4346 5.4346 5.4346 5.4346 5.5792 5.5792 5.5792 5.5792 6.0811 6.0811 6.0811 6.0811 6.2161 6.2161 6.2161 6.2161 7.2512 7.2512 7.2512 7.2512 7.4678 7.4678 7.4678 7.4678 7.5174 7.5174 7.5174 7.5174 11.0859 11.0859 k = 0.4919 0.3700 0.0138 ( 5194 PWs) bands (ev): -6.5982 -6.5982 -6.5980 -6.5980 -5.9273 -5.9273 -5.9265 -5.9261 1.1648 1.1649 1.1649 1.1651 1.9503 1.9503 1.9504 1.9504 2.8709 2.8711 2.8730 2.8735 2.9221 2.9225 2.9243 2.9245 3.2485 3.2489 3.2492 3.2494 3.3605 3.3626 3.3627 3.3633 4.3335 4.3353 4.3373 4.3392 4.5359 4.5389 4.5412 4.5431 4.8092 4.8122 4.8124 4.8201 5.4302 5.4336 5.4353 5.4394 5.5724 5.5768 5.5809 5.5816 6.0802 6.0818 6.0842 6.0877 6.2154 6.2156 6.2168 6.2168 7.2431 7.2480 7.2506 7.2518 7.4432 7.4666 7.4668 7.4878 7.5017 7.5178 7.5211 7.5417 11.0864 11.0870 k = 0.4839 0.3812 0.0277 ( 5194 PWs) bands (ev): -6.5970 -6.5970 -6.5967 -6.5967 -5.9302 -5.9302 -5.9265 -5.9258 1.1675 1.1676 1.1678 1.1683 1.9490 1.9491 1.9492 1.9492 2.8688 2.8690 2.8734 2.8745 2.9199 2.9209 2.9250 2.9253 3.2466 3.2477 3.2486 3.2493 3.3540 3.3582 3.3608 3.3621 4.3315 4.3349 4.3390 4.3430 4.5288 4.5371 4.5391 4.5452 4.8091 4.8110 4.8127 4.8313 5.4257 5.4324 5.4356 5.4450 5.5596 5.5708 5.5835 5.5836 6.0804 6.0853 6.0935 6.1017 6.2146 6.2152 6.2174 6.2179 7.2285 7.2394 7.2464 7.2467 7.4174 7.4504 7.4689 7.4918 7.5098 7.5200 7.5362 7.5679 11.0875 11.0877 k = 0.4758 0.3925 0.0415 ( 5196 PWs) bands (ev): -6.5949 -6.5949 -6.5945 -6.5945 -5.9351 -5.9351 -5.9265 -5.9254 1.1722 1.1723 1.1724 1.1734 1.9470 1.9470 1.9472 1.9473 2.8659 2.8661 2.8737 2.8756 2.9168 2.9182 2.9259 2.9263 3.2438 3.2455 3.2478 3.2489 3.3440 3.3500 3.3580 3.3599 4.3300 4.3347 4.3414 4.3474 4.5198 4.5340 4.5353 4.5474 4.8081 4.8090 4.8174 4.8456 5.4200 5.4310 5.4349 5.4514 5.5417 5.5617 5.5869 5.5873 6.0816 6.0894 6.1100 6.1218 6.2140 6.2151 6.2181 6.2194 7.2094 7.2245 7.2376 7.2395 7.3914 7.4267 7.4711 7.4864 7.5258 7.5291 7.5596 7.5948 11.0896 11.0899 k = 0.4677 0.4037 0.0554 ( 5190 PWs) bands (ev): -6.5920 -6.5920 -6.5914 -6.5914 -5.9419 -5.9419 -5.9265 -5.9250 1.1787 1.1790 1.1790 1.1805 1.9441 1.9442 1.9444 1.9445 2.8621 2.8622 2.8740 2.8768 2.9126 2.9146 2.9271 2.9276 3.2399 3.2423 3.2467 3.2483 3.3307 3.3382 3.3544 3.3568 4.3287 4.3347 4.3443 4.3525 4.5096 4.5263 4.5335 4.5497 4.8056 4.8064 4.8265 4.8624 5.4119 5.4293 5.4324 5.4585 5.5211 5.5518 5.5916 5.5925 6.0834 6.0943 6.1318 6.1459 6.2141 6.2157 6.2192 6.2220 7.1874 7.2047 7.2262 7.2293 7.3653 7.4015 7.4693 7.4771 7.5381 7.5519 7.5852 7.6219 11.0926 11.0930 k = 0.4596 0.4150 0.0692 ( 5186 PWs) bands (ev): -6.5882 -6.5882 -6.5875 -6.5875 -5.9506 -5.9506 -5.9264 -5.9245 1.1869 1.1873 1.1876 1.1895 1.9405 1.9406 1.9410 1.9411 2.8573 2.8573 2.8743 2.8781 2.9074 2.9099 2.9285 2.9291 3.2351 3.2381 3.2453 3.2474 3.3145 3.3230 3.3497 3.3527 4.3277 4.3348 4.3479 4.3583 4.4987 4.5167 4.5318 4.5522 4.8024 4.8030 4.8387 4.8810 5.4002 5.4260 5.4273 5.4654 5.5018 5.5438 5.5976 5.5988 6.0854 6.0994 6.1564 6.1709 6.2157 6.2176 6.2215 6.2272 7.1637 7.1819 7.2123 7.2163 7.3392 7.3759 7.4628 7.4654 7.5558 7.5769 7.6115 7.6491 11.0966 11.0971 k = 0.4516 0.4262 0.0831 ( 5190 PWs) bands (ev): -6.5836 -6.5836 -6.5827 -6.5827 -5.9612 -5.9611 -5.9262 -5.9239 1.1970 1.1974 1.1982 1.2005 1.9361 1.9363 1.9367 1.9369 2.8513 2.8514 2.8746 2.8794 2.9011 2.9041 2.9301 2.9309 3.2294 3.2330 3.2432 3.2462 3.2958 3.3046 3.3442 3.3476 4.3269 4.3348 4.3519 4.3645 4.4878 4.5057 4.5300 4.5550 4.7985 4.7990 4.8532 4.9008 5.3840 5.4123 5.4249 5.4676 5.4929 5.5396 5.6047 5.6063 6.0873 6.1042 6.1797 6.1905 6.2197 6.2210 6.2283 6.2396 7.1391 7.1574 7.1959 7.2007 7.3130 7.3502 7.4516 7.4530 7.5769 7.6029 7.6379 7.6762 11.1015 11.1021 k = 0.4435 0.4375 0.0969 ( 5198 PWs) bands (ev): -6.5782 -6.5782 -6.5772 -6.5772 -5.9735 -5.9735 -5.9259 -5.9233 1.2088 1.2094 1.2107 1.2134 1.9311 1.9313 1.9319 1.9320 2.8444 2.8444 2.8747 2.8806 2.8939 2.8973 2.9320 2.9330 3.2226 3.2263 3.2396 3.2442 3.2763 3.2836 3.3379 3.3416 4.3262 4.3349 4.3562 4.3711 4.4772 4.4940 4.5282 4.5580 4.7940 4.7944 4.8694 4.9214 5.3638 5.3898 5.4220 5.4634 5.4983 5.5397 5.6128 5.6147 6.0884 6.1080 6.1954 6.2002 6.2251 6.2254 6.2463 6.2637 7.1142 7.1322 7.1774 7.1827 7.2869 7.3245 7.4370 7.4408 7.5998 7.6293 7.6642 7.7029 11.1076 11.1083 k = 0.4354 0.4487 0.1108 ( 5202 PWs) bands (ev): -6.5720 -6.5720 -6.5708 -6.5708 -5.9876 -5.9876 -5.9256 -5.9226 1.2224 1.2230 1.2252 1.2282 1.9254 1.9257 1.9264 1.9266 2.8364 2.8365 2.8746 2.8816 2.8857 2.8897 2.9341 2.9353 3.2145 3.2167 3.2327 3.2399 3.2597 3.2623 3.3308 3.3347 4.3255 4.3348 4.3605 4.3780 4.4674 4.4821 4.5264 4.5613 4.7892 4.7894 4.8866 4.9423 5.3405 5.3612 5.4186 5.4593 5.5093 5.5436 5.6217 5.6239 6.0886 6.1103 6.2035 6.2051 6.2311 6.2325 6.2746 6.2952 7.0895 7.1067 7.1571 7.1626 7.2608 7.2987 7.4218 7.4272 7.6234 7.6555 7.6901 7.7293 11.1147 11.1155 k = 0.4273 0.4600 0.1246 ( 5202 PWs) bands (ev): -6.5650 -6.5649 -6.5636 -6.5636 -6.0035 -6.0034 -5.9252 -5.9219 1.2377 1.2384 1.2415 1.2449 1.9193 1.9195 1.9204 1.9207 2.8275 2.8275 2.8740 2.8767 2.8790 2.8846 2.9364 2.9379 3.1999 3.2040 3.2226 3.2257 3.2496 3.2506 3.3230 3.3270 4.3249 4.3347 4.3646 4.3851 4.4589 4.4703 4.5247 4.5649 4.7839 4.7839 4.9044 4.9634 5.3153 5.3298 5.4146 5.4560 5.5224 5.5506 5.6312 5.6338 6.0876 6.1108 6.2085 6.2086 6.2397 6.2416 6.3075 6.3294 7.0655 7.0817 7.1352 7.1407 7.2348 7.2730 7.4064 7.4130 7.6471 7.6813 7.7155 7.7551 11.1231 11.1239 k = 0.4193 0.4712 0.1385 ( 5186 PWs) bands (ev): -6.5572 -6.5571 -6.5557 -6.5556 -6.0209 -6.0209 -5.9247 -5.9211 1.2546 1.2554 1.2597 1.2635 1.9126 1.9129 1.9140 1.9144 2.8175 2.8177 2.8662 2.8698 2.8736 2.8848 2.9389 2.9406 3.1748 3.1856 3.2075 3.2134 3.2456 3.2463 3.3144 3.3185 4.3242 4.3344 4.3682 4.3922 4.4521 4.4589 4.5230 4.5689 4.7782 4.7785 4.9226 4.9843 5.2894 5.2973 5.4098 5.4527 5.5365 5.5599 5.6409 5.6441 6.0855 6.1094 6.2118 6.2125 6.2514 6.2530 6.3423 6.3647 7.0424 7.0574 7.1121 7.1173 7.2089 7.2473 7.3916 7.3987 7.6706 7.7064 7.7403 7.7801 11.1327 11.1336 k = 0.4112 0.4825 0.1523 ( 5182 PWs) bands (ev): -6.5486 -6.5486 -6.5470 -6.5469 -6.0399 -6.0399 -5.9242 -5.9203 1.2732 1.2741 1.2797 1.2839 1.9056 1.9058 1.9072 1.9076 2.8065 2.8069 2.8553 2.8591 2.8717 2.8852 2.9414 2.9436 3.1454 3.1569 3.1951 3.2050 3.2432 3.2434 3.3053 3.3093 4.3234 4.3339 4.3707 4.3989 4.4474 4.4484 4.5213 4.5732 4.7723 4.7728 4.9408 5.0047 5.2632 5.2647 5.4041 5.4489 5.5514 5.5710 5.6507 5.6546 6.0824 6.1066 6.2151 6.2162 6.2657 6.2664 6.3777 6.4002 7.0205 7.0342 7.0881 7.0927 7.1833 7.2218 7.3775 7.3848 7.6933 7.7305 7.7643 7.8043 11.1436 11.1446 k = 0.4031 0.4937 0.1662 ( 5188 PWs) bands (ev): -6.5393 -6.5393 -6.5375 -6.5375 -6.0604 -6.0604 -5.9237 -5.9194 1.2933 1.2943 1.3015 1.3061 1.8982 1.8985 1.9000 1.9005 2.7943 2.7950 2.8435 2.8474 2.8686 2.8850 2.9441 2.9466 3.1141 3.1237 3.1845 3.1967 3.2409 3.2412 3.2956 3.2994 4.3224 4.3332 4.3718 4.4050 4.4390 4.4450 4.5197 4.5779 4.7663 4.7670 4.9588 5.0245 5.2324 5.2374 5.3974 5.4441 5.5667 5.5834 5.6601 5.6651 6.0788 6.1028 6.2187 6.2201 6.2814 6.2819 6.4133 6.4356 7.0003 7.0123 7.0635 7.0672 7.1581 7.1968 7.3644 7.3716 7.7151 7.7534 7.7873 7.8274 11.1560 11.1570 k = 0.3951 0.5050 0.1800 ( 5182 PWs) bands (ev): -6.5293 -6.5293 -6.5274 -6.5273 -6.0823 -6.0823 -5.9231 -5.9185 1.3149 1.3160 1.3251 1.3300 1.8906 1.8909 1.8927 1.8933 2.7810 2.7822 2.8308 2.8347 2.8636 2.8837 2.9469 2.9496 3.0823 3.0889 3.1742 3.1884 3.2387 3.2393 3.2854 3.2891 4.3212 4.3324 4.3716 4.4090 4.4322 4.4448 4.5182 4.5830 4.7602 4.7612 4.9763 5.0435 5.2011 5.2123 5.3897 5.4381 5.5821 5.5967 5.6690 5.6755 6.0750 6.0985 6.2226 6.2243 6.2976 6.2994 6.4488 6.4706 6.9820 6.9922 7.0387 7.0411 7.1336 7.1725 7.3529 7.3596 7.7357 7.7749 7.8091 7.8493 11.1698 11.1708 k = 0.3870 0.5162 0.1939 ( 5179 PWs) bands (ev): -6.5186 -6.5185 -6.5165 -6.5164 -6.1056 -6.1055 -5.9225 -5.9176 1.3380 1.3392 1.3503 1.3557 1.8829 1.8832 1.8853 1.8859 2.7665 2.7682 2.8174 2.8211 2.8559 2.8805 2.9497 2.9525 3.0515 3.0540 3.1638 3.1801 3.2365 3.2374 3.2749 3.2784 4.3199 4.3313 4.3704 4.4085 4.4303 4.4465 4.5168 4.5884 4.7542 4.7554 4.9933 5.0615 5.1708 5.1883 5.3809 5.4308 5.5971 5.6106 5.6770 5.6855 6.0713 6.0942 6.2271 6.2291 6.3142 6.3172 6.4838 6.5051 6.9661 6.9739 7.0145 7.0149 7.1102 7.1493 7.3429 7.3491 7.7548 7.7947 7.8297 7.8697 11.1852 11.1862 k = 0.3789 0.5275 0.2077 ( 5183 PWs) bands (ev): -6.5073 -6.5072 -6.5050 -6.5049 -6.1300 -6.1300 -5.9218 -5.9166 1.3625 1.3638 1.3772 1.3830 1.8751 1.8755 1.8778 1.8785 2.7504 2.7530 2.8032 2.8067 2.8442 2.8740 2.9525 2.9548 3.0214 3.0232 3.1534 3.1717 3.2341 3.2354 3.2640 3.2674 4.3182 4.3300 4.3686 4.4037 4.4332 4.4495 4.5157 4.5942 4.7484 4.7497 5.0094 5.0782 5.1420 5.1656 5.3709 5.4220 5.6115 5.6248 5.6838 5.6952 6.0680 6.0901 6.2319 6.2344 6.3307 6.3348 6.5183 6.5390 6.9526 6.9568 6.9891 6.9919 7.0881 7.1275 7.3346 7.3402 7.7723 7.8126 7.8488 7.8886 11.2021 11.2032 k = 0.3708 0.5387 0.2216 ( 5183 PWs) bands (ev): -6.4953 -6.4952 -6.4929 -6.4927 -6.1556 -6.1556 -5.9211 -5.9156 1.3883 1.3898 1.4057 1.4118 1.8674 1.8678 1.8704 1.8712 2.7325 2.7364 2.7884 2.7915 2.8277 2.8621 2.9550 2.9554 2.9951 2.9991 3.1429 3.1632 3.2315 3.2334 3.2529 3.2565 4.3164 4.3286 4.3667 4.3977 4.4378 4.4530 4.5150 4.6003 4.7429 4.7441 5.0241 5.0931 5.1151 5.1447 5.3598 5.4116 5.6245 5.6390 5.6894 5.7046 6.0654 6.0866 6.2372 6.2405 6.3462 6.3512 6.5521 6.5723 6.9393 6.9404 6.9657 6.9735 7.0679 7.1077 7.3282 7.3331 7.7880 7.8287 7.8663 7.9057 11.2207 11.2217 k = 0.3628 0.5500 0.2354 ( 5193 PWs) bands (ev): -6.4827 -6.4825 -6.4801 -6.4800 -6.1823 -6.1822 -5.9203 -5.9146 1.4152 1.4169 1.4357 1.4421 1.8599 1.8604 1.8631 1.8641 2.7120 2.7178 2.7728 2.7755 2.8063 2.8425 2.9503 2.9581 2.9800 2.9810 3.1324 3.1548 3.2282 3.2314 3.2417 3.2462 4.3143 4.3269 4.3648 4.3918 4.4427 4.4565 4.5148 4.6067 4.7376 4.7387 5.0361 5.0917 5.1035 5.1284 5.3477 5.3996 5.6356 5.6528 5.6935 5.7139 6.0636 6.0839 6.2427 6.2470 6.3601 6.3657 6.5850 6.6048 6.9196 6.9237 6.9509 6.9618 7.0498 7.0901 7.3237 7.3281 7.8017 7.8425 7.8820 7.9209 11.2409 11.2420 k = 0.3547 0.5612 0.2493 ( 5201 PWs) bands (ev): -6.4695 -6.4693 -6.4668 -6.4666 -6.2099 -6.2098 -5.9195 -5.9136 1.4433 1.4452 1.4670 1.4737 1.8528 1.8534 1.8563 1.8573 2.6880 2.6966 2.7566 2.7587 2.7813 2.8156 2.9417 2.9601 2.9664 2.9783 3.1220 3.1463 3.2230 3.2294 3.2306 3.2378 4.3121 4.3252 4.3632 4.3865 4.4474 4.4597 4.5153 4.6133 4.7327 4.7336 5.0388 5.0780 5.0973 5.1283 5.3347 5.3859 5.6442 5.6655 5.6964 5.7234 6.0627 6.0821 6.2483 6.2541 6.3717 6.3775 6.6170 6.6365 6.8976 6.9008 6.9474 6.9575 7.0345 7.0752 7.3212 7.3251 7.8132 7.8540 7.8958 7.9341 11.2628 11.2639 k = 0.3466 0.5725 0.2631 ( 5181 PWs) bands (ev): -6.4559 -6.4556 -6.4530 -6.4527 -6.2383 -6.2383 -5.9187 -5.9126 1.4725 1.4746 1.4996 1.5065 1.8461 1.8470 1.8500 1.8511 2.6595 2.6718 2.7399 2.7413 2.7551 2.7848 2.9343 2.9540 2.9647 2.9801 3.1117 3.1379 3.2151 3.2194 3.2275 3.2325 4.3100 4.3234 4.3621 4.3820 4.4518 4.4622 4.5167 4.6202 4.7283 4.7287 5.0254 5.0811 5.0815 5.1375 5.3212 5.3708 5.6498 5.6760 5.6994 5.7335 6.0630 6.0814 6.2539 6.2615 6.3806 6.3863 6.6479 6.6675 6.8749 6.8762 6.9511 6.9594 7.0224 7.0634 7.3209 7.3246 7.8225 7.8631 7.9077 7.9452 11.2864 11.2874 k = 0.3386 0.5837 0.2770 ( 5181 PWs) bands (ev): -6.4417 -6.4414 -6.4386 -6.4383 -6.2675 -6.2674 -5.9179 -5.9115 1.5024 1.5048 1.5331 1.5401 1.8402 1.8414 1.8444 1.8456 2.6259 2.6421 2.7225 2.7231 2.7297 2.7538 2.9289 2.9462 2.9674 2.9833 3.1015 3.1293 3.2057 3.2085 3.2256 3.2293 4.3078 4.3215 4.3612 4.3781 4.4559 4.4637 4.5189 4.6271 4.7240 4.7243 5.0056 5.0651 5.0912 5.1463 5.3075 5.3541 5.6521 5.6813 5.7049 5.7441 6.0644 6.0818 6.2590 6.2688 6.3863 6.3914 6.6773 6.6976 6.8515 6.8524 6.9604 6.9666 7.0142 7.0549 7.3228 7.3264 7.8294 7.8697 7.9175 7.9540 11.3115 11.3126 k = 0.3305 0.5950 0.2908 ( 5177 PWs) bands (ev): -6.4271 -6.4267 -6.4239 -6.4234 -6.2973 -6.2972 -5.9171 -5.9105 1.5330 1.5357 1.5672 1.5742 1.8352 1.8368 1.8398 1.8412 2.5873 2.6067 2.7041 2.7046 2.7061 2.7253 2.9244 2.9396 2.9702 2.9871 3.0915 3.1205 3.1961 3.1980 3.2238 3.2269 4.3057 4.3197 4.3606 4.3749 4.4596 4.4644 4.5219 4.6341 4.7196 4.7207 4.9853 5.0496 5.1024 5.1529 5.2944 5.3363 5.6512 5.6806 5.7137 5.7549 6.0669 6.0833 6.2635 6.2759 6.3888 6.3929 6.7047 6.7264 6.8277 6.8309 6.9745 6.9775 7.0114 7.0500 7.3270 7.3307 7.8338 7.8735 7.9252 7.9606 11.3383 11.3393 k = 0.3224 0.6063 0.3047 ( 5179 PWs) bands (ev): -6.4123 -6.4116 -6.4089 -6.4081 -6.3274 -6.3274 -5.9163 -5.9095 1.5640 1.5671 1.6015 1.6080 1.8314 1.8334 1.8369 1.8387 2.5448 2.5661 2.6834 2.6847 2.6865 2.6998 2.9203 2.9338 2.9731 2.9911 3.0816 3.1113 3.1870 3.1880 3.2220 3.2250 4.3037 4.3178 4.3602 4.3724 4.4629 4.4643 4.5256 4.6411 4.7154 4.7176 4.9655 5.0348 5.1132 5.1563 5.2826 5.3173 5.6475 5.6761 5.7237 5.7657 6.0704 6.0859 6.2670 6.2824 6.3884 6.3910 6.7284 6.7521 6.8066 6.8122 6.9878 6.9934 7.0173 7.0488 7.3338 7.3377 7.8356 7.8747 7.9307 7.9649 11.3664 11.3675 k = 0.3143 0.6175 0.3185 ( 5183 PWs) bands (ev): -6.3979 -6.3963 -6.3942 -6.3925 -6.3572 -6.3571 -5.9154 -5.9085 1.5950 1.5986 1.6349 1.6406 1.8292 1.8312 1.8364 1.8394 2.4995 2.5215 2.6622 2.6647 2.6677 2.6767 2.9161 2.9284 2.9760 2.9953 3.0720 3.1017 3.1787 3.1791 3.2203 3.2233 4.3019 4.3160 4.3601 4.3706 4.4635 4.4659 4.5296 4.6479 4.7115 4.7150 4.9467 5.0209 5.1234 5.1556 5.2733 5.2976 5.6413 5.6692 5.7333 5.7761 6.0750 6.0896 6.2693 6.2880 6.3853 6.3860 6.7432 6.7632 6.7997 6.8012 6.9957 7.0154 7.0341 7.0515 7.3432 7.3475 7.8348 7.8731 7.9342 7.9670 11.3958 11.3968 k = 0.3143 0.6175 0.3185 ( 5183 PWs) bands (ev): -6.3979 -6.3963 -6.3942 -6.3925 -6.3572 -6.3571 -5.9154 -5.9085 1.5950 1.5986 1.6349 1.6406 1.8292 1.8312 1.8364 1.8394 2.4995 2.5215 2.6622 2.6647 2.6677 2.6767 2.9161 2.9284 2.9760 2.9953 3.0720 3.1017 3.1787 3.1791 3.2203 3.2233 4.3019 4.3160 4.3601 4.3706 4.4635 4.4659 4.5296 4.6479 4.7115 4.7150 4.9467 5.0209 5.1234 5.1556 5.2733 5.2976 5.6413 5.6692 5.7333 5.7761 6.0750 6.0896 6.2693 6.2880 6.3853 6.3860 6.7432 6.7632 6.7997 6.8012 6.9957 7.0154 7.0341 7.0515 7.3432 7.3475 7.8348 7.8731 7.9342 7.9670 11.3958 11.3968 k = 0.2958 0.6122 0.3250 ( 5176 PWs) bands (ev): -6.4112 -6.4078 -6.3767 -6.3755 -6.3628 -6.3600 -5.9153 -5.9083 1.6092 1.6131 1.6505 1.6555 1.8231 1.8270 1.8430 1.8475 2.4766 2.4985 2.6456 2.6514 2.6635 2.6721 2.9136 2.9256 2.9776 2.9976 3.0670 3.0964 3.1746 3.1758 3.2192 3.2227 4.3011 4.3147 4.3589 4.3716 4.4627 4.4671 4.5320 4.6502 4.7071 4.7189 4.9381 5.0141 5.1279 5.1537 5.2687 5.2892 5.6378 5.6661 5.7367 5.7797 6.0782 6.0926 6.2686 6.2913 6.3764 6.3880 6.7433 6.7578 6.8008 6.8060 6.9998 7.0275 7.0443 7.0587 7.3486 7.3544 7.8183 7.8576 7.9475 7.9810 11.4130 11.4151 k = 0.2774 0.6070 0.3315 ( 5175 PWs) bands (ev): -6.4245 -6.4212 -6.3874 -6.3869 -6.3375 -6.3336 -5.9156 -5.9085 1.6227 1.6269 1.6665 1.6707 1.8194 1.8231 1.8526 1.8573 2.4513 2.4728 2.6260 2.6318 2.6633 2.6721 2.9102 2.9223 2.9796 3.0003 3.0609 3.0897 3.1708 3.1728 3.2175 3.2221 4.3003 4.3123 4.3566 4.3748 4.4614 4.4680 4.5352 4.6507 4.7041 4.7258 4.9296 5.0064 5.1320 5.1506 5.2618 5.2834 5.6345 5.6638 5.7382 5.7813 6.0828 6.0975 6.2656 6.2959 6.3653 6.3893 6.7381 6.7487 6.8024 6.8136 7.0072 7.0413 7.0560 7.0724 7.3550 7.3636 7.7855 7.8259 7.9731 8.0068 11.4374 11.4413 k = 0.2589 0.6017 0.3380 ( 5175 PWs) bands (ev): -6.4371 -6.4339 -6.4004 -6.3999 -6.3100 -6.3058 -5.9164 -5.9093 1.6352 1.6398 1.6826 1.6858 1.8200 1.8232 1.8623 1.8674 2.4237 2.4447 2.6048 2.6104 2.6644 2.6736 2.9059 2.9184 2.9820 3.0031 3.0542 3.0820 3.1672 3.1701 3.2154 3.2213 4.2991 4.3093 4.3546 4.3789 4.4596 4.4687 4.5392 4.6497 4.7040 4.7341 4.9213 4.9978 5.1354 5.1463 5.2541 5.2799 5.6311 5.6619 5.7384 5.7812 6.0886 6.1038 6.2609 6.3011 6.3531 6.3899 6.7299 6.7382 6.8045 6.8204 7.0183 7.0567 7.0706 7.0887 7.3623 7.3744 7.7479 7.7892 7.9996 8.0328 11.4692 11.4748 k = 0.2404 0.5964 0.3445 ( 5173 PWs) bands (ev): -6.4489 -6.4457 -6.4131 -6.4124 -6.2828 -6.2784 -5.9178 -5.9106 1.6464 1.6516 1.6983 1.7009 1.8248 1.8273 1.8721 1.8779 2.3941 2.4145 2.5821 2.5879 2.6664 2.6763 2.9009 2.9142 2.9845 3.0061 3.0469 3.0735 3.1639 3.1677 3.2131 3.2202 4.2971 4.3063 4.3533 4.3832 4.4572 4.4692 4.5441 4.6477 4.7066 4.7432 4.9130 4.9883 5.1377 5.1408 5.2473 5.2779 5.6277 5.6600 5.7379 5.7800 6.0953 6.1113 6.2551 6.3063 6.3405 6.3900 6.7202 6.7272 6.8065 6.8255 7.0319 7.0736 7.0878 7.1070 7.3706 7.3865 7.7090 7.7510 8.0231 8.0557 11.5081 11.5157 k = 0.2219 0.5911 0.3510 ( 5183 PWs) bands (ev): -6.4597 -6.4567 -6.4252 -6.4244 -6.2564 -6.2517 -5.9199 -5.9127 1.6566 1.6624 1.7133 1.7158 1.8330 1.8351 1.8822 1.8894 2.3629 2.3823 2.5581 2.5641 2.6693 2.6801 2.8950 2.9095 2.9872 3.0089 3.0393 3.0645 3.1610 3.1656 3.2105 3.2188 4.2939 4.3035 4.3530 4.3876 4.4544 4.4695 4.5496 4.6457 4.7110 4.7527 4.9048 4.9777 5.1337 5.1393 5.2425 5.2767 5.6243 5.6575 5.7374 5.7780 6.1025 6.1193 6.2488 6.3102 6.3292 6.3899 6.7099 6.7161 6.8082 6.8293 7.0463 7.0905 7.1075 7.1276 7.3796 7.3995 7.6699 7.7126 8.0424 8.0743 11.5541 11.5636 k = 0.2034 0.5859 0.3575 ( 5178 PWs) bands (ev): -6.4697 -6.4667 -6.4366 -6.4357 -6.2306 -6.2258 -5.9227 -5.9154 1.6660 1.6726 1.7277 1.7304 1.8435 1.8457 1.8935 1.9026 2.3304 2.3487 2.5327 2.5392 2.6732 2.6851 2.8883 2.9044 2.9898 3.0117 3.0318 3.0554 3.1584 3.1638 3.2078 3.2171 4.2901 4.3012 4.3537 4.3920 4.4513 4.4696 4.5556 4.6441 4.7166 4.7624 4.8969 4.9659 5.1265 5.1392 5.2401 5.2762 5.6210 5.6543 5.7372 5.7758 6.1099 6.1274 6.2427 6.3078 6.3246 6.3898 6.6996 6.7052 6.8099 6.8321 7.0603 7.1062 7.1297 7.1502 7.3894 7.4135 7.6314 7.6745 8.0570 8.0883 11.6067 11.6181 k = 0.1849 0.5806 0.3639 ( 5178 PWs) bands (ev): -6.4788 -6.4759 -6.4473 -6.4462 -6.2057 -6.2006 -5.9262 -5.9189 1.6751 1.6825 1.7415 1.7444 1.8546 1.8573 1.9069 1.9184 2.2970 2.3140 2.5061 2.5132 2.6780 2.6909 2.8808 2.8988 2.9921 3.0140 3.0246 3.0464 3.1561 3.1624 3.2051 3.2152 4.2859 4.2989 4.3553 4.3965 4.4481 4.4693 4.5618 4.6431 4.7227 4.7720 4.8896 4.9531 5.1193 5.1381 5.2398 5.2760 5.6177 5.6502 5.7377 5.7734 6.1174 6.1351 6.2373 6.2981 6.3278 6.3895 6.6894 6.6946 6.8118 6.8342 7.0734 7.1207 7.1536 7.1739 7.3998 7.4281 7.5942 7.6372 8.0667 8.0974 11.6656 11.6787 k = 0.1664 0.5753 0.3704 ( 5178 PWs) bands (ev): -6.4869 -6.4842 -6.4572 -6.4561 -6.1817 -6.1764 -5.9305 -5.9232 1.6845 1.6926 1.7546 1.7575 1.8652 1.8683 1.9235 1.9373 2.2631 2.2787 2.4784 2.4861 2.6835 2.6977 2.8725 2.8926 2.9938 3.0151 3.0190 3.0381 3.1542 3.1611 3.2023 3.2130 4.2819 4.2964 4.3578 4.4008 4.4448 4.4686 4.5683 4.6427 4.7291 4.7814 4.8830 4.9392 5.1126 5.1360 5.2411 5.2760 5.6144 5.6453 5.7389 5.7713 6.1244 6.1418 6.2330 6.2876 6.3328 6.3890 6.6796 6.6844 6.8139 6.8360 7.0858 7.1341 7.1778 7.1974 7.4103 7.4431 7.5593 7.6016 8.0717 8.1018 11.7300 11.7450 k = 0.1479 0.5700 0.3769 ( 5177 PWs) bands (ev): -6.4941 -6.4915 -6.4663 -6.4651 -6.1586 -6.1531 -5.9356 -5.9283 1.6944 1.7033 1.7668 1.7695 1.8748 1.8776 1.9436 1.9592 2.2294 2.2432 2.4497 2.4579 2.6899 2.7052 2.8636 2.8856 2.9945 3.0111 3.0189 3.0311 3.1528 3.1601 3.1997 3.2107 4.2784 4.2937 4.3612 4.4051 4.4416 4.4675 4.5748 4.6427 4.7354 4.7904 4.8773 4.9244 5.1069 5.1332 5.2436 5.2762 5.6112 5.6398 5.7408 5.7694 6.1307 6.1473 6.2304 6.2779 6.3381 6.3884 6.6703 6.6748 6.8165 6.8377 7.0977 7.1470 7.2012 7.2196 7.4195 7.4572 7.5290 7.5687 8.0723 8.1018 11.7992 11.8160 k = 0.1294 0.5648 0.3834 ( 5179 PWs) bands (ev): -6.5003 -6.4979 -6.4745 -6.4733 -6.1366 -6.1309 -5.9416 -5.9343 1.7052 1.7147 1.7779 1.7801 1.8834 1.8854 1.9664 1.9837 2.1965 2.2080 2.4201 2.4289 2.6969 2.7135 2.8541 2.8778 2.9936 3.0066 3.0198 3.0261 3.1517 3.1593 3.1972 3.2083 4.2754 4.2909 4.3652 4.4091 4.4384 4.4660 4.5812 4.6427 4.7416 4.7990 4.8724 4.9091 5.1025 5.1300 5.2469 5.2764 5.6083 5.6340 5.7431 5.7679 6.1360 6.1512 6.2295 6.2696 6.3433 6.3875 6.6617 6.6658 6.8194 6.8392 7.1094 7.1593 7.2227 7.2396 7.4227 7.4668 7.5086 7.5422 8.0692 8.0976 11.8724 11.8907 k = 0.1109 0.5595 0.3899 ( 5180 PWs) bands (ev): -6.5056 -6.5033 -6.4818 -6.4806 -6.1155 -6.1096 -5.9486 -5.9413 1.7169 1.7269 1.7876 1.7890 1.8914 1.8923 1.9908 2.0100 2.1656 2.1739 2.3898 2.3990 2.7046 2.7223 2.8442 2.8691 2.9912 3.0025 3.0196 3.0244 3.1510 3.1586 3.1950 3.2058 4.2732 4.2880 4.3697 4.4126 4.4356 4.4641 4.5876 4.6423 4.7477 4.8071 4.8683 4.8939 5.0994 5.1264 5.2505 5.2764 5.6057 5.6281 5.7457 5.7666 6.1403 6.1536 6.2304 6.2629 6.3483 6.3862 6.6539 6.6576 6.8226 6.8406 7.1212 7.1713 7.2415 7.2570 7.4130 7.4635 7.5036 7.5318 8.0631 8.0902 11.9480 11.9678 k = 0.0925 0.5542 0.3964 ( 5176 PWs) bands (ev): -6.5100 -6.5079 -6.4881 -6.4869 -6.0956 -6.0895 -5.9565 -5.9493 1.7295 1.7398 1.7953 1.7962 1.8988 1.8993 2.0147 2.0369 2.1385 2.1421 2.3589 2.3684 2.7129 2.7315 2.8342 2.8597 2.9884 2.9984 3.0194 3.0245 3.1506 3.1579 3.1933 3.2033 4.2716 4.2850 4.3747 4.4151 4.4337 4.4618 4.5939 4.6412 4.7542 4.8144 4.8642 4.8795 5.0976 5.1226 5.2543 5.2762 5.6036 5.6225 5.7484 5.7655 6.1434 6.1548 6.2325 6.2578 6.3530 6.3846 6.6470 6.6503 6.8261 6.8418 7.1334 7.1827 7.2574 7.2714 7.3930 7.4447 7.5121 7.5392 8.0552 8.0801 12.0245 12.0454 k = 0.0740 0.5489 0.4029 ( 5176 PWs) bands (ev): -6.5134 -6.5116 -6.4934 -6.4922 -6.0767 -6.0705 -5.9654 -5.9582 1.7426 1.7529 1.8001 1.8015 1.9055 1.9075 2.0333 2.0610 2.1157 2.1209 2.3275 2.3373 2.7216 2.7406 2.8245 2.8496 2.9859 2.9944 3.0200 3.0249 3.1507 3.1571 3.1920 3.2008 4.2707 4.2822 4.3799 4.4156 4.4335 4.4592 4.6000 4.6392 4.7612 4.8204 4.8580 4.8688 5.0970 5.1187 5.2580 5.2757 5.6020 5.6173 5.7511 5.7646 6.1456 6.1550 6.2354 6.2541 6.3575 6.3827 6.6413 6.6440 6.8296 6.8426 7.1461 7.1930 7.2703 7.2832 7.3705 7.4199 7.5274 7.5526 8.0465 8.0685 12.0995 12.1211 k = 0.0555 0.5436 0.4094 ( 5174 PWs) bands (ev): -6.5159 -6.5145 -6.4975 -6.4965 -6.0590 -6.0526 -5.9753 -5.9682 1.7558 1.7659 1.8019 1.8046 1.9128 1.9159 2.0375 2.0646 2.1128 2.1219 2.2961 2.3059 2.7306 2.7491 2.8157 2.8391 2.9841 2.9907 3.0210 3.0251 3.1510 3.1563 3.1914 3.1985 4.2705 4.2795 4.3853 4.4138 4.4354 4.4563 4.6061 4.6363 4.7689 4.8233 4.8496 4.8634 5.0976 5.1148 5.2615 5.2749 5.6011 5.6126 5.7537 5.7636 6.1472 6.1545 6.2385 6.2515 6.3616 6.3805 6.6367 6.6388 6.8330 6.8431 7.1593 7.2011 7.2806 7.2928 7.3501 7.3950 7.5443 7.5655 8.0384 8.0564 12.1700 12.1913 k = 0.0370 0.5384 0.4159 ( 5178 PWs) bands (ev): -6.5176 -6.5166 -6.5004 -6.4997 -6.0424 -6.0359 -5.9862 -5.9793 1.7684 1.7779 1.8007 1.8049 1.9205 1.9241 2.0288 2.0465 2.1345 2.1420 2.2651 2.2747 2.7396 2.7556 2.8093 2.8287 2.9831 2.9877 3.0221 3.0250 3.1516 3.1554 3.1913 3.1963 4.2708 4.2771 4.3907 4.4103 4.4385 4.4530 4.6119 4.6325 4.7777 4.8192 4.8464 4.8598 5.0990 5.1110 5.2647 5.2737 5.6010 5.6087 5.7560 5.7626 6.1485 6.1535 6.2414 6.2495 6.3654 6.3780 6.6335 6.6349 6.8361 6.8430 7.1726 7.2052 7.2890 7.3005 7.3347 7.3718 7.5597 7.5751 8.0324 8.0453 12.2318 12.2514 k = 0.0185 0.5331 0.4224 ( 5180 PWs) bands (ev): -6.5185 -6.5179 -6.5022 -6.5018 -6.0271 -6.0208 -5.9979 -5.9913 1.7799 1.7884 1.7965 1.8023 1.9276 1.9304 2.0200 2.0291 2.1605 2.1675 2.2367 2.2449 2.7481 2.7578 2.8074 2.8190 2.9830 2.9853 3.0231 3.0247 3.1524 3.1544 3.1919 3.1944 4.2717 4.2749 4.3960 4.4060 4.4422 4.4495 4.6176 4.6281 4.7875 4.8093 4.8487 4.8563 5.1012 5.1073 5.2675 5.2721 5.6016 5.6055 5.7581 5.7613 6.1497 6.1523 6.2440 6.2479 6.3689 6.3752 6.6317 6.6324 6.8387 6.8422 7.1855 7.2037 7.2960 7.3045 7.3288 7.3517 7.5717 7.5798 8.0298 8.0365 12.2798 12.2941 k = 0.0000 0.5278 0.4289 ( 5176 PWs) bands (ev): -6.5186 -6.5186 -6.5026 -6.5026 -6.0145 -6.0145 -6.0029 -6.0029 1.7894 1.7894 1.7967 1.7967 1.9318 1.9318 2.0193 2.0193 2.1797 2.1797 2.2242 2.2242 2.7548 2.7548 2.8112 2.8112 2.9838 2.9838 3.0240 3.0240 3.1534 3.1534 3.1929 3.1929 4.2731 4.2731 4.4012 4.4012 4.4459 4.4459 4.6231 4.6231 4.7983 4.7983 4.8525 4.8525 5.1040 5.1040 5.2700 5.2700 5.6031 5.6031 5.7599 5.7599 6.1510 6.1510 6.2461 6.2461 6.3722 6.3722 6.6313 6.6313 6.8408 6.8408 7.1966 7.1966 7.3018 7.3018 7.3361 7.3361 7.5786 7.5786 8.0311 8.0311 12.3055 12.3055 k = 0.0000 0.5278 0.4289 ( 5176 PWs) bands (ev): -6.5186 -6.5186 -6.5026 -6.5026 -6.0145 -6.0145 -6.0029 -6.0029 1.7894 1.7894 1.7967 1.7967 1.9318 1.9318 2.0193 2.0193 2.1797 2.1797 2.2242 2.2242 2.7548 2.7548 2.8112 2.8112 2.9838 2.9838 3.0240 3.0240 3.1534 3.1534 3.1929 3.1929 4.2731 4.2731 4.4012 4.4012 4.4459 4.4459 4.6231 4.6231 4.7983 4.7983 4.8525 4.8525 5.1040 5.1040 5.2700 5.2700 5.6031 5.6031 5.7599 5.7599 6.1510 6.1510 6.2461 6.2461 6.3722 6.3722 6.6313 6.6313 6.8408 6.8408 7.1966 7.1966 7.3018 7.3018 7.3361 7.3361 7.5786 7.5786 8.0311 8.0311 12.3055 12.3055 k = 0.0083 0.5162 0.4432 ( 5184 PWs) bands (ev): -6.5183 -6.5181 -6.5023 -6.5022 -6.0149 -6.0147 -6.0033 -6.0032 1.7870 1.7874 1.7946 1.7948 1.9297 1.9300 2.0138 2.0142 2.1827 2.1842 2.2295 2.2297 2.7538 2.7568 2.8101 2.8125 2.9830 2.9849 3.0224 3.0251 3.1528 3.1534 3.1925 3.1926 4.2706 4.2760 4.4012 4.4016 4.4430 4.4490 4.6217 4.6243 4.7944 4.8015 4.8526 4.8531 5.1037 5.1071 5.2705 5.2721 5.6014 5.6041 5.7580 5.7588 6.1506 6.1529 6.2435 6.2484 6.3729 6.3732 6.6191 6.6366 6.8373 6.8528 7.1951 7.1987 7.3028 7.3044 7.3362 7.3374 7.5779 7.5795 8.0301 8.0304 12.2975 12.2976 k = 0.0167 0.5046 0.4575 ( 5178 PWs) bands (ev): -6.5172 -6.5170 -6.5012 -6.5010 -6.0158 -6.0156 -6.0043 -6.0040 1.7797 1.7803 1.7894 1.7896 1.9241 1.9247 1.9994 2.0001 2.1927 2.1956 2.2441 2.2445 2.7538 2.7598 2.8092 2.8139 2.9827 2.9865 3.0202 3.0256 3.1517 3.1528 3.1914 3.1916 4.2687 4.2792 4.4016 4.4023 4.4404 4.4522 4.6205 4.6256 4.7904 4.8042 4.8535 4.8545 5.1061 5.1128 5.2736 5.2769 5.5991 5.6045 5.7532 5.7550 6.1516 6.1561 6.2409 6.2506 6.3752 6.3756 6.6021 6.6344 6.8431 6.8712 7.1945 7.2014 7.3071 7.3103 7.3378 7.3402 7.5774 7.5804 8.0275 8.0280 12.2747 12.2750 k = 0.0250 0.4930 0.4718 ( 5174 PWs) bands (ev): -6.5154 -6.5151 -6.4994 -6.4991 -6.0174 -6.0170 -6.0058 -6.0055 1.7673 1.7677 1.7819 1.7820 1.9157 1.9167 1.9789 1.9799 2.2085 2.2125 2.2651 2.2657 2.7548 2.7638 2.8086 2.8155 2.9828 2.9883 3.0175 3.0256 3.1500 3.1516 3.1895 3.1899 4.2673 4.2828 4.4026 4.4032 4.4382 4.4555 4.6194 4.6268 4.7863 4.8062 4.8550 4.8569 5.1112 5.1209 5.2791 5.2841 5.5962 5.6041 5.7457 5.7487 6.1532 6.1602 6.2390 6.2530 6.3788 6.3789 6.5826 6.6266 6.8567 6.8938 7.1948 7.2046 7.3142 7.3188 7.3409 7.3447 7.5775 7.5818 8.0232 8.0239 12.2404 12.2408 k = 0.0333 0.4814 0.4861 ( 5182 PWs) bands (ev): -6.5129 -6.5124 -6.4969 -6.4965 -6.0197 -6.0191 -6.0080 -6.0076 1.7505 1.7505 1.7719 1.7722 1.9053 1.9067 1.9550 1.9562 2.2286 2.2336 2.2900 2.2906 2.7567 2.7685 2.8083 2.8172 2.9833 2.9903 3.0143 3.0250 3.1478 3.1499 3.1869 3.1875 4.2664 4.2864 4.4041 4.4042 4.4365 4.4588 4.6184 4.6279 4.7824 4.8076 4.8571 4.8602 5.1189 5.1310 5.2868 5.2936 5.5928 5.6030 5.7356 5.7402 6.1543 6.1641 6.2388 6.2563 6.3822 6.3836 6.5629 6.6163 6.8758 6.9188 7.1962 7.2086 7.3230 7.3288 7.3458 7.3510 7.5787 7.5839 8.0172 8.0183 12.1981 12.1985 k = 0.0417 0.4697 0.5003 ( 5184 PWs) bands (ev): -6.5097 -6.5091 -6.4937 -6.4932 -6.0225 -6.0218 -6.0108 -6.0102 1.7299 1.7303 1.7596 1.7601 1.8935 1.8952 1.9293 1.9307 2.2517 2.2576 2.3170 2.3176 2.7593 2.7739 2.8084 2.8190 2.9844 2.9926 3.0107 3.0240 3.1451 3.1476 3.1837 3.1844 4.2660 4.2901 4.4047 4.4064 4.4356 4.4621 4.6177 4.6288 4.7789 4.8086 4.8600 4.8644 5.1290 5.1429 5.2963 5.3052 5.5891 5.6013 5.7234 5.7300 6.1537 6.1669 6.2415 6.2617 6.3847 6.3880 6.5449 6.6063 6.8981 6.9451 7.1988 7.2133 7.3324 7.3395 7.3528 7.3588 7.5818 7.5874 8.0097 8.0111 12.1509 12.1515 k = 0.0500 0.4581 0.5146 ( 5174 PWs) bands (ev): -6.5058 -6.5050 -6.4898 -6.4891 -6.0259 -6.0251 -6.0141 -6.0135 1.7068 1.7076 1.7451 1.7458 1.8803 1.8825 1.9030 1.9045 2.2768 2.2836 2.3451 2.3457 2.7625 2.7797 2.8088 2.8209 2.9858 2.9949 3.0069 3.0225 3.1420 3.1447 3.1799 3.1807 4.2662 4.2938 4.4051 4.4094 4.4357 4.4653 4.6174 4.6297 4.7761 4.8094 4.8636 4.8694 5.1412 5.1562 5.3074 5.3184 5.5853 5.5991 5.7096 5.7186 6.1507 6.1674 6.2478 6.2701 6.3854 6.3905 6.5310 6.5992 6.9222 6.9720 7.2025 7.2189 7.3410 7.3501 7.3623 7.3674 7.5879 7.5929 8.0006 8.0024 12.1014 12.1020 k = 0.0583 0.4465 0.5289 ( 5174 PWs) bands (ev): -6.5011 -6.5003 -6.4851 -6.4844 -6.0299 -6.0290 -6.0181 -6.0173 1.6821 1.6833 1.7286 1.7293 1.8658 1.8687 1.8769 1.8781 2.3032 2.3108 2.3736 2.3742 2.7661 2.7857 2.8097 2.8231 2.9875 2.9971 3.0028 3.0208 3.1385 3.1414 3.1755 3.1764 4.2668 4.2973 4.4048 4.4130 4.4368 4.4684 4.6173 4.6303 4.7738 4.8103 4.8680 4.8753 5.1550 5.1706 5.3194 5.3329 5.5814 5.5964 5.6947 5.7067 6.1451 6.1654 6.2575 6.2816 6.3832 6.3886 6.5237 6.5964 6.9473 6.9989 7.2072 7.2250 7.3483 7.3608 7.3733 7.3756 7.5978 7.6012 7.9902 7.9925 12.0511 12.0517 k = 0.0667 0.4349 0.5432 ( 5176 PWs) bands (ev): -6.4958 -6.4948 -6.4798 -6.4790 -6.0345 -6.0335 -6.0226 -6.0218 1.6564 1.6581 1.7103 1.7111 1.8474 1.8518 1.8538 1.8542 2.3304 2.3387 2.4022 2.4027 2.7699 2.7914 2.8112 2.8259 2.9890 2.9986 2.9993 3.0191 3.1346 3.1375 3.1706 3.1716 4.2679 4.3004 4.4040 4.4175 4.4390 4.4713 4.6176 4.6308 4.7724 4.8115 4.8733 4.8819 5.1700 5.1857 5.3318 5.3479 5.5776 5.5934 5.6792 5.6946 6.1374 6.1610 6.2695 6.2962 6.3783 6.3811 6.5246 6.5989 6.9728 7.0255 7.2126 7.2316 7.3545 7.3713 7.3816 7.3860 7.6121 7.6130 7.9785 7.9813 12.0015 12.0021 k = 0.0750 0.4233 0.5575 ( 5172 PWs) bands (ev): -6.4898 -6.4887 -6.4738 -6.4729 -6.0397 -6.0386 -6.0278 -6.0268 1.6302 1.6324 1.6905 1.6913 1.8230 1.8262 1.8365 1.8383 2.3578 2.3669 2.4304 2.4308 2.7736 2.7964 2.8135 2.8295 2.9885 2.9974 2.9998 3.0179 3.1305 3.1333 3.1652 3.1664 4.2694 4.3033 4.4027 4.4226 4.4422 4.4741 4.6182 4.6312 4.7717 4.8131 4.8796 4.8894 5.1860 5.2011 5.3438 5.3630 5.5740 5.5901 5.6640 5.6833 6.1285 6.1548 6.2820 6.3128 6.3691 6.3722 6.5328 6.6062 6.9986 7.0516 7.2184 7.2381 7.3596 7.3796 7.3889 7.3983 7.6284 7.6311 7.9657 7.9692 11.9533 11.9538 k = 0.0833 0.4117 0.5718 ( 5172 PWs) bands (ev): -6.4832 -6.4820 -6.4672 -6.4662 -6.0455 -6.0442 -6.0334 -6.0324 1.6041 1.6066 1.6696 1.6704 1.7981 1.8011 1.8194 1.8218 2.3854 2.3952 2.4582 2.4584 2.7769 2.8003 2.8165 2.8343 2.9849 2.9988 2.9994 3.0178 3.1261 3.1286 3.1594 3.1607 4.2713 4.3057 4.4010 4.4283 4.4462 4.4768 4.6192 4.6314 4.7720 4.8153 4.8868 4.8977 5.2024 5.2165 5.3548 5.3772 5.5707 5.5868 5.6499 5.6733 6.1187 6.1472 6.2917 6.3280 6.3575 6.3682 6.5464 6.6174 7.0245 7.0771 7.2240 7.2441 7.3637 7.3828 7.4000 7.4108 7.6474 7.6539 7.9520 7.9562 11.9072 11.9075 k = 0.0917 0.4001 0.5861 ( 5172 PWs) bands (ev): -6.4759 -6.4746 -6.4599 -6.4588 -6.0519 -6.0504 -6.0397 -6.0385 1.5783 1.5812 1.6478 1.6487 1.7737 1.7766 1.8019 1.8045 2.4127 2.4232 2.4852 2.4853 2.7796 2.8030 2.8205 2.8403 2.9800 2.9971 3.0019 3.0188 3.1215 3.1236 3.1532 3.1548 4.2735 4.3078 4.3991 4.4345 4.4509 4.4796 4.6205 4.6314 4.7731 4.8181 4.8951 4.9068 5.2188 5.2313 5.3638 5.3893 5.5678 5.5837 5.6382 5.6654 6.1085 6.1388 6.2940 6.3252 6.3639 6.3717 6.5635 6.6313 7.0508 7.1020 7.2287 7.2487 7.3673 7.3840 7.4128 7.4235 7.6694 7.6796 7.9377 7.9428 11.8636 11.8638 k = 0.1000 0.3884 0.6004 ( 5174 PWs) bands (ev): -6.4680 -6.4666 -6.4521 -6.4509 -6.0588 -6.0572 -6.0465 -6.0452 1.5532 1.5563 1.6257 1.6264 1.7499 1.7528 1.7839 1.7867 2.4397 2.4508 2.5112 2.5113 2.7818 2.8045 2.8254 2.8474 2.9746 2.9937 3.0051 3.0207 3.1168 3.1183 3.1468 3.1485 4.2759 4.3096 4.3970 4.4407 4.4562 4.4827 4.6219 4.6312 4.7753 4.8217 4.9044 4.9167 5.2347 5.2452 5.3700 5.3980 5.5657 5.5812 5.6300 5.6602 6.0983 6.1298 6.2872 6.3090 6.3845 6.3849 6.5824 6.6468 7.0774 7.1264 7.2320 7.2510 7.3714 7.3858 7.4260 7.4362 7.6935 7.7073 7.9232 7.9293 11.8228 11.8229 k = 0.1083 0.3768 0.6147 ( 5172 PWs) bands (ev): -6.4596 -6.4581 -6.4436 -6.4423 -6.0662 -6.0645 -6.0538 -6.0524 1.5288 1.5323 1.6033 1.6041 1.7269 1.7298 1.7654 1.7684 2.4663 2.4780 2.5362 2.5365 2.7833 2.8051 2.8311 2.8552 2.9691 2.9895 3.0086 3.0230 3.1119 3.1127 3.1401 3.1421 4.2785 4.3110 4.3947 4.4466 4.4619 4.4863 4.6236 4.6310 4.7784 4.8261 4.9147 4.9275 5.2497 5.2578 5.3727 5.4020 5.5648 5.5797 5.6263 5.6579 6.0882 6.1207 6.2748 6.2907 6.4042 6.4090 6.6023 6.6628 7.1045 7.1500 7.2333 7.2503 7.3769 7.3897 7.4390 7.4486 7.7190 7.7360 7.9088 7.9160 11.7851 11.7852 k = 0.1167 0.3652 0.6290 ( 5176 PWs) bands (ev): -6.4506 -6.4489 -6.4346 -6.4332 -6.0742 -6.0724 -6.0617 -6.0602 1.5056 1.5093 1.5811 1.5818 1.7047 1.7075 1.7468 1.7499 2.4922 2.5044 2.5599 2.5605 2.7844 2.8052 2.8374 2.8635 2.9634 2.9848 3.0121 3.0253 3.1069 3.1071 3.1332 3.1355 4.2813 4.3121 4.3924 4.4517 4.4679 4.4908 4.6253 4.6305 4.7825 4.8313 4.9259 4.9390 5.2632 5.2685 5.3717 5.4005 5.5659 5.5796 5.6274 5.6588 6.0784 6.1115 6.2597 6.2724 6.4273 6.4349 6.6224 6.6786 7.1320 7.1721 7.2332 7.2463 7.3846 7.3966 7.4512 7.4602 7.7449 7.7645 7.8951 7.9034 11.7505 11.7508 k = 0.1250 0.3536 0.6433 ( 5174 PWs) bands (ev): -6.4410 -6.4393 -6.4251 -6.4236 -6.0827 -6.0808 -6.0701 -6.0685 1.4835 1.4874 1.5592 1.5598 1.6833 1.6860 1.7280 1.7312 2.5175 2.5302 2.5826 2.5834 2.7850 2.8048 2.8441 2.8720 2.9577 2.9797 3.0154 3.0276 3.1010 3.1022 3.1263 3.1288 4.2842 4.3130 4.3900 4.4558 4.4743 4.4966 4.6270 4.6300 4.7878 4.8374 4.9380 4.9512 5.2746 5.2769 5.3671 5.3937 5.5692 5.5812 5.6328 5.6626 6.0691 6.1025 6.2437 6.2546 6.4528 6.4619 6.6420 6.6937 7.1592 7.1898 7.2344 7.2401 7.3949 7.4066 7.4622 7.4708 7.7702 7.7920 7.8829 7.8921 11.7193 11.7197 k = 0.1333 0.3420 0.6576 ( 5174 PWs) bands (ev): -6.4310 -6.4292 -6.4151 -6.4135 -6.0917 -6.0897 -6.0790 -6.0773 1.4628 1.4669 1.5379 1.5384 1.6628 1.6655 1.7093 1.7126 2.5420 2.5552 2.6039 2.6050 2.7853 2.8041 2.8511 2.8806 2.9521 2.9744 3.0185 3.0296 3.0950 3.0973 3.1194 3.1222 4.2872 4.3138 4.3876 4.4586 4.4808 4.5036 4.6286 4.6294 4.7940 4.8443 4.9508 4.9640 5.2826 5.2833 5.3598 5.3829 5.5747 5.5843 5.6417 5.6687 6.0603 6.0937 6.2275 6.2377 6.4796 6.4898 6.6608 6.7077 7.1835 7.1966 7.2342 7.2443 7.4077 7.4192 7.4716 7.4799 7.7941 7.8166 7.8736 7.8829 11.6916 11.6922 k = 0.1417 0.3304 0.6719 ( 5172 PWs) bands (ev): -6.4205 -6.4185 -6.4046 -6.4030 -6.1012 -6.0991 -6.0883 -6.0865 1.4435 1.4477 1.5174 1.5177 1.6434 1.6460 1.6907 1.6942 2.5657 2.5793 2.6239 2.6253 2.7854 2.8033 2.8582 2.8891 2.9465 2.9690 3.0213 3.0313 3.0890 3.0926 3.1125 3.1157 4.2902 4.3144 4.3852 4.4604 4.4875 4.5115 4.6285 4.6301 4.8014 4.8521 4.9643 4.9773 5.2849 5.2882 5.3512 5.3696 5.5820 5.5890 5.6530 5.6767 6.0523 6.0854 6.2114 6.2217 6.5075 6.5182 6.6785 6.7203 7.1922 7.1959 7.2391 7.2621 7.4227 7.4339 7.4795 7.4876 7.8150 7.8341 7.8715 7.8769 11.6675 11.6682 k = 0.1500 0.3187 0.6862 ( 5178 PWs) bands (ev): -6.4095 -6.4075 -6.3937 -6.3920 -6.1111 -6.1089 -6.0981 -6.0963 1.4257 1.4301 1.4976 1.4978 1.6251 1.6276 1.6725 1.6760 2.5885 2.6025 2.6425 2.6443 2.7854 2.8024 2.8653 2.8973 2.9411 2.9635 3.0236 3.0325 3.0830 3.0879 3.1058 3.1093 4.2932 4.3149 4.3827 4.4613 4.4942 4.5202 4.6276 4.6313 4.8098 4.8607 4.9781 4.9909 5.2832 5.2883 5.3431 5.3558 5.5906 5.5952 5.6658 5.6858 6.0450 6.0775 6.1957 6.2067 6.5359 6.5469 6.6948 6.7315 7.1836 7.1907 7.2586 7.2817 7.4393 7.4496 7.4867 7.4945 7.8307 7.8387 7.8761 7.8824 11.6468 11.6476 k = 0.1583 0.3071 0.7005 ( 5178 PWs) bands (ev): -6.3982 -6.3961 -6.3824 -6.3806 -6.1215 -6.1192 -6.1083 -6.1064 1.4096 1.4140 1.4788 1.4788 1.6080 1.6106 1.6549 1.6584 2.6102 2.6246 2.6597 2.6619 2.7853 2.8016 2.8720 2.9050 2.9362 2.9583 3.0254 3.0331 3.0771 3.0835 3.0995 3.1033 4.2962 4.3154 4.3803 4.4616 4.5009 4.5291 4.6266 4.6321 4.8193 4.8702 4.9923 5.0047 5.2769 5.2828 5.3367 5.3431 5.6004 5.6028 5.6789 5.6953 6.0386 6.0702 6.1807 6.1928 6.5646 6.5756 6.7097 6.7413 7.1731 7.1797 7.2810 7.2993 7.4572 7.4653 7.4948 7.5016 7.8367 7.8390 7.8826 7.8992 11.6298 11.6307 k = 0.1667 0.2955 0.7148 ( 5180 PWs) bands (ev): -6.3864 -6.3843 -6.3707 -6.3689 -6.1322 -6.1299 -6.1190 -6.1170 1.3951 1.3996 1.4608 1.4610 1.5924 1.5949 1.6378 1.6414 2.6309 2.6454 2.6755 2.6781 2.7852 2.8008 2.8781 2.9110 2.9326 2.9536 3.0266 3.0330 3.0714 3.0793 3.0935 3.0975 4.2991 4.3158 4.3778 4.4616 4.5076 4.5382 4.6254 4.6327 4.8299 4.8805 5.0064 5.0183 5.2659 5.2726 5.3318 5.3325 5.6110 5.6115 5.6918 5.7046 6.0332 6.0636 6.1663 6.1801 6.5932 6.6041 6.7230 6.7497 7.1623 7.1677 7.2997 7.3124 7.4759 7.4795 7.5064 7.5105 7.8347 7.8419 7.8937 7.9155 11.6164 11.6173 k = 0.1750 0.2839 0.7291 ( 5182 PWs) bands (ev): -6.3744 -6.3721 -6.3587 -6.3568 -6.1434 -6.1410 -6.1300 -6.1279 1.3824 1.3869 1.4439 1.4444 1.5782 1.5808 1.6216 1.6252 2.6503 2.6647 2.6900 2.6932 2.7852 2.8003 2.8832 2.9130 2.9329 2.9497 3.0271 3.0320 3.0660 3.0754 3.0882 3.0922 4.3019 4.3161 4.3754 4.4612 4.5141 4.5473 4.6241 4.6328 4.8415 4.8915 5.0202 5.0314 5.2514 5.2599 5.3234 5.3275 5.6211 5.6221 5.7038 5.7132 6.0289 6.0577 6.1526 6.1686 6.6213 6.6318 6.7349 6.7570 7.1520 7.1560 7.3114 7.3191 7.4932 7.4951 7.5224 7.5229 7.8341 7.8432 7.9050 7.9294 11.6065 11.6074 k = 0.1833 0.2723 0.7434 ( 5180 PWs) bands (ev): -6.3620 -6.3597 -6.3465 -6.3445 -6.1549 -6.1525 -6.1413 -6.1393 1.3714 1.3760 1.4281 1.4288 1.5657 1.5682 1.6063 1.6099 2.6683 2.6822 2.7032 2.7074 2.7854 2.8001 2.8865 2.9100 2.9378 2.9473 3.0269 3.0301 3.0610 3.0719 3.0836 3.0873 4.3047 4.3164 4.3730 4.4607 4.5204 4.5562 4.6227 4.6325 4.8539 4.9033 5.0331 5.0435 5.2353 5.2464 5.3152 5.3224 5.6314 5.6335 5.7146 5.7208 6.0259 6.0525 6.1396 6.1582 6.6484 6.6585 6.7455 6.7633 7.1430 7.1457 7.3146 7.3185 7.5087 7.5147 7.5385 7.5415 7.8351 7.8447 7.9146 7.9402 11.6002 11.6010 k = 0.1917 0.2607 0.7577 ( 5192 PWs) bands (ev): -6.3494 -6.3471 -6.3340 -6.3319 -6.1668 -6.1643 -6.1531 -6.1509 1.3622 1.3667 1.4134 1.4145 1.5548 1.5574 1.5920 1.5956 2.6845 2.6972 2.7152 2.7210 2.7862 2.8004 2.8874 2.9045 2.9446 2.9470 3.0258 3.0272 3.0564 3.0687 3.0797 3.0830 4.3073 4.3167 4.3707 4.4601 4.5263 4.5648 4.6212 4.6317 4.8672 4.9157 5.0447 5.0539 5.2190 5.2337 5.3072 5.3162 5.6420 5.6448 5.7236 5.7270 6.0241 6.0482 6.1274 6.1489 6.6741 6.6835 6.7547 6.7686 7.1358 7.1374 7.3096 7.3112 7.5266 7.5344 7.5569 7.5614 7.8375 7.8468 7.9215 7.9476 11.5975 11.5981 k = 0.2000 0.2491 0.7720 ( 5188 PWs) bands (ev): -6.3366 -6.3342 -6.3213 -6.3192 -6.1789 -6.1763 -6.1651 -6.1629 1.3549 1.3593 1.4000 1.4014 1.5457 1.5484 1.5789 1.5825 2.6987 2.7095 2.7260 2.7341 2.7877 2.8014 2.8856 2.8979 2.9491 2.9519 3.0233 3.0239 3.0526 3.0661 3.0766 3.0793 4.3097 4.3169 4.3686 4.4595 4.5319 4.5730 4.6197 4.6305 4.8812 4.9289 5.0539 5.0617 5.2045 5.2233 5.2989 5.3088 5.6527 5.6558 5.7309 5.7317 6.0237 6.0446 6.1160 6.1408 6.6978 6.7064 6.7628 6.7730 7.1311 7.1316 7.2982 7.2987 7.5458 7.5537 7.5764 7.5813 7.8415 7.8496 7.9254 7.9517 11.5982 11.5986 k = 0.2083 0.2374 0.7863 ( 5192 PWs) bands (ev): -6.3237 -6.3212 -6.3084 -6.3063 -6.1913 -6.1887 -6.1773 -6.1751 1.3493 1.3537 1.3879 1.3896 1.5384 1.5412 1.5670 1.5707 2.7107 2.7192 2.7352 2.7463 2.7904 2.8036 2.8813 2.8905 2.9532 2.9592 3.0184 3.0210 3.0494 3.0639 3.0741 3.0762 4.3119 4.3171 4.3666 4.4589 4.5369 4.5807 4.6182 4.6288 4.8957 4.9424 5.0594 5.0658 5.1930 5.2162 5.2904 5.3004 5.6632 5.6662 5.7348 5.7363 6.0246 6.0419 6.1053 6.1340 6.7191 6.7267 6.7696 6.7767 7.1290 7.1294 7.2823 7.2825 7.5647 7.5719 7.5955 7.5999 7.8470 7.8534 7.9263 7.9524 11.6023 11.6025 k = 0.2167 0.2258 0.8006 ( 5186 PWs) bands (ev): -6.3106 -6.3081 -6.2954 -6.2933 -6.2038 -6.2012 -6.1898 -6.1875 1.3455 1.3498 1.3771 1.3791 1.5331 1.5359 1.5566 1.5603 2.7205 2.7265 2.7424 2.7567 2.7950 2.8076 2.8751 2.8824 2.9587 2.9664 3.0129 3.0174 3.0470 3.0621 3.0722 3.0737 4.3139 4.3174 4.3648 4.4584 4.5414 4.5880 4.6168 4.6265 4.9102 4.9563 5.0604 5.0655 5.1861 5.2135 5.2819 5.2911 5.6731 5.6757 5.7363 5.7399 6.0266 6.0398 6.0955 6.1283 6.7374 6.7439 6.7753 6.7795 7.1298 7.1310 7.2639 7.2640 7.5821 7.5886 7.6126 7.6161 7.8541 7.8583 7.9243 7.9500 11.6097 11.6098 k = 0.2250 0.2142 0.8149 ( 5184 PWs) bands (ev): -6.2974 -6.2949 -6.2825 -6.2803 -6.2165 -6.2139 -6.2024 -6.2002 1.3435 1.3477 1.3677 1.3700 1.5296 1.5325 1.5476 1.5513 2.7281 2.7319 2.7471 2.7644 2.8016 2.8138 2.8678 2.8737 2.9651 2.9734 3.0068 3.0131 3.0452 3.0609 3.0709 3.0717 4.3155 4.3175 4.3633 4.4580 4.5450 4.5948 4.6155 4.6237 4.9242 4.9701 5.0569 5.0610 5.1839 5.2151 5.2736 5.2812 5.6819 5.6839 5.7365 5.7419 6.0295 6.0384 6.0868 6.1238 6.7524 6.7577 6.7796 6.7813 7.1342 7.1361 7.2443 7.2446 7.5970 7.6029 7.6264 7.6288 7.8625 7.8644 7.9198 7.9451 11.6202 11.6205 k = 0.2333 0.2026 0.8291 ( 5178 PWs) bands (ev): -6.2843 -6.2817 -6.2697 -6.2676 -6.2290 -6.2265 -6.2151 -6.2129 1.3433 1.3473 1.3599 1.3624 1.5280 1.5309 1.5403 1.5440 2.7337 2.7357 2.7497 2.7693 2.8093 2.8219 2.8600 2.8646 2.9720 2.9798 3.0003 3.0086 3.0441 3.0600 3.0699 3.0704 4.3167 4.3177 4.3622 4.4576 4.5477 4.6009 4.6145 4.6204 4.9367 4.9833 5.0506 5.0536 5.1850 5.2199 5.2664 5.2715 5.6893 5.6904 5.7357 5.7428 6.0328 6.0375 6.0794 6.1206 6.7639 6.7677 6.7819 6.7827 7.1416 7.1441 7.2254 7.2258 7.6089 7.6142 7.6363 7.6376 7.8713 7.8719 7.9134 7.9385 11.6337 11.6344 k = 0.2417 0.1910 0.8434 ( 5180 PWs) bands (ev): -6.2714 -6.2689 -6.2582 -6.2568 -6.2397 -6.2379 -6.2276 -6.2255 1.3445 1.3485 1.3537 1.3564 1.5282 1.5309 1.5347 1.5386 2.7373 2.7378 2.7506 2.7718 2.8165 2.8309 2.8529 2.8554 2.9791 2.9851 2.9935 3.0043 3.0434 3.0595 3.0693 3.0696 4.3175 4.3177 4.3615 4.4574 4.5494 4.6064 4.6138 4.6166 4.9458 4.9941 5.0445 5.0457 5.1871 5.2257 5.2612 5.2630 5.6943 5.6947 5.7347 5.7429 6.0356 6.0369 6.0741 6.1186 6.7721 6.7740 6.7811 6.7842 7.1502 7.1532 7.2097 7.2099 7.6166 7.6217 7.6418 7.6425 7.8788 7.8797 7.9064 7.9321 11.6501 11.6512 k = 0.2500 0.1794 0.8577 ( 5176 PWs) bands (ev): -6.2605 -6.2583 -6.2583 -6.2567 -6.2394 -6.2381 -6.2381 -6.2363 1.3461 1.3505 1.3505 1.3527 1.5294 1.5316 1.5317 1.5361 2.7384 2.7386 2.7508 2.7726 2.8199 2.8366 2.8496 2.8498 2.9851 2.9875 2.9877 3.0022 3.0432 3.0593 3.0691 3.0694 4.3177 4.3178 4.3612 4.4573 4.5500 4.6100 4.6135 4.6137 4.9493 4.9988 5.0418 5.0420 5.1881 5.2287 5.2592 5.2594 5.6960 5.6962 5.7341 5.7429 6.0368 6.0368 6.0722 6.1179 6.7762 6.7762 6.7795 6.7847 7.1547 7.1581 7.2027 7.2027 7.6194 7.6243 7.6435 7.6442 7.8827 7.8833 7.9025 7.9291 11.6687 11.6699 k = 0.2500 0.1794 0.8577 ( 5176 PWs) bands (ev): -6.2605 -6.2583 -6.2583 -6.2567 -6.2394 -6.2381 -6.2381 -6.2363 1.3461 1.3505 1.3505 1.3527 1.5294 1.5316 1.5317 1.5361 2.7384 2.7386 2.7508 2.7726 2.8199 2.8366 2.8496 2.8498 2.9851 2.9875 2.9877 3.0022 3.0432 3.0593 3.0691 3.0694 4.3177 4.3178 4.3612 4.4573 4.5500 4.6100 4.6135 4.6137 4.9493 4.9988 5.0418 5.0420 5.1881 5.2287 5.2592 5.2594 5.6960 5.6962 5.7341 5.7429 6.0368 6.0368 6.0722 6.1179 6.7762 6.7762 6.7795 6.7847 7.1547 7.1581 7.2027 7.2027 7.6194 7.6243 7.6435 7.6442 7.8827 7.8833 7.9025 7.9291 11.6688 11.6699 k = 0.2632 0.1888 0.8461 ( 5182 PWs) bands (ev): -6.2657 -6.2633 -6.2554 -6.2546 -6.2427 -6.2419 -6.2323 -6.2299 1.3425 1.3469 1.3492 1.3524 1.5324 1.5339 1.5364 1.5399 2.7362 2.7366 2.7483 2.7682 2.8216 2.8356 2.8514 2.8539 2.9811 2.9881 2.9891 3.0025 3.0439 3.0602 3.0676 3.0719 4.3147 4.3208 4.3611 4.4571 4.5499 4.6080 4.6134 4.6157 4.9480 4.9969 5.0407 5.0440 5.1887 5.2285 5.2603 5.2621 5.6922 5.6967 5.7331 5.7418 6.0324 6.0426 6.0736 6.1188 6.7729 6.7735 6.7797 6.7830 7.1539 7.1567 7.2050 7.2080 7.6189 7.6237 7.6416 7.6458 7.8804 7.8839 7.9038 7.9301 11.6509 11.6517 k = 0.2763 0.1982 0.8345 ( 5194 PWs) bands (ev): -6.2724 -6.2699 -6.2543 -6.2540 -6.2452 -6.2446 -6.2243 -6.2215 1.3330 1.3377 1.3459 1.3495 1.5418 1.5427 1.5472 1.5499 2.7299 2.7307 2.7413 2.7576 2.8240 2.8347 2.8583 2.8618 2.9762 2.9865 2.9912 3.0035 3.0459 3.0623 3.0671 3.0752 4.3120 4.3239 4.3606 4.4565 4.5498 4.6046 4.6145 4.6176 4.9445 4.9921 5.0402 5.0463 5.1906 5.2283 5.2654 5.2681 5.6856 5.6945 5.7297 5.7384 6.0299 6.0487 6.0780 6.1212 6.7644 6.7651 6.7779 6.7782 7.1514 7.1531 7.2150 7.2202 7.6175 7.6221 7.6405 7.6478 7.8775 7.8836 7.9062 7.9317 11.6197 11.6198 k = 0.2895 0.2077 0.8229 ( 5192 PWs) bands (ev): -6.2792 -6.2767 -6.2540 -6.2539 -6.2467 -6.2462 -6.2165 -6.2135 1.3205 1.3254 1.3407 1.3442 1.5562 1.5567 1.5624 1.5647 2.7205 2.7213 2.7308 2.7440 2.8262 2.8353 2.8680 2.8704 2.9717 2.9837 2.9927 3.0047 3.0489 3.0654 3.0678 3.0790 4.3095 4.3271 4.3598 4.4555 4.5496 4.6013 4.6155 4.6194 4.9395 4.9858 5.0396 5.0484 5.1938 5.2292 5.2735 5.2767 5.6770 5.6895 5.7239 5.7326 6.0295 6.0550 6.0850 6.1250 6.7517 6.7534 6.7701 6.7728 7.1489 7.1495 7.2301 7.2366 7.6152 7.6201 7.6407 7.6500 7.8749 7.8834 7.9082 7.9331 11.5781 11.5787 k = 0.3026 0.2171 0.8113 ( 5189 PWs) bands (ev): -6.2857 -6.2834 -6.2539 -6.2538 -6.2475 -6.2470 -6.2096 -6.2066 1.3068 1.3118 1.3343 1.3376 1.5741 1.5743 1.5807 1.5826 2.7088 2.7093 2.7180 2.7289 2.8290 2.8374 2.8780 2.8784 2.9679 2.9806 2.9933 3.0053 3.0529 3.0682 3.0705 3.0833 4.3072 4.3303 4.3588 4.4541 4.5495 4.5980 4.6163 4.6210 4.9338 4.9792 5.0386 5.0501 5.1980 5.2313 5.2837 5.2876 5.6667 5.6821 5.7159 5.7247 6.0310 6.0616 6.0938 6.1299 6.7363 6.7395 6.7584 6.7637 7.1476 7.1482 7.2468 7.2541 7.6127 7.6181 7.6418 7.6524 7.8729 7.8835 7.9093 7.9337 11.5308 11.5318 k = 0.3158 0.2266 0.7996 ( 5180 PWs) bands (ev): -6.2917 -6.2896 -6.2538 -6.2535 -6.2478 -6.2473 -6.2040 -6.2010 1.2933 1.2983 1.3275 1.3305 1.5939 1.5940 1.6009 1.6026 2.6954 2.6955 2.7035 2.7129 2.8323 2.8407 2.8855 2.8873 2.9649 2.9777 2.9934 3.0052 3.0576 3.0706 3.0751 3.0878 4.3053 4.3333 4.3577 4.4523 4.5494 4.5949 4.6167 4.6222 4.9281 4.9731 5.0369 5.0512 5.2032 5.2348 5.2957 5.3002 5.6549 5.6722 5.7059 5.7148 6.0343 6.0688 6.1034 6.1355 6.7192 6.7241 6.7432 6.7509 7.1481 7.1502 7.2629 7.2709 7.6108 7.6167 7.6436 7.6547 7.8716 7.8838 7.9094 7.9331 11.4813 11.4827 k = 0.3289 0.2360 0.7880 ( 5178 PWs) bands (ev): -6.2970 -6.2952 -6.2534 -6.2530 -6.2476 -6.2472 -6.1998 -6.1968 1.2807 1.2857 1.3209 1.3235 1.6148 1.6148 1.6221 1.6236 2.6804 2.6813 2.6881 2.6966 2.8362 2.8448 2.8914 2.8953 2.9627 2.9752 2.9930 3.0045 3.0625 3.0733 3.0802 3.0925 4.3036 4.3361 4.3566 4.4501 4.5493 4.5919 4.6167 4.6231 4.9226 4.9677 5.0345 5.0518 5.2093 5.2394 5.3090 5.3143 5.6419 5.6599 5.6942 5.7037 6.0391 6.0767 6.1133 6.1417 6.7011 6.7079 6.7250 6.7345 7.1512 7.1551 7.2767 7.2856 7.6101 7.6161 7.6458 7.6570 7.8709 7.8838 7.9084 7.9312 11.4328 11.4343 k = 0.3421 0.2454 0.7764 ( 5179 PWs) bands (ev): -6.3017 -6.3001 -6.2527 -6.2523 -6.2471 -6.2466 -6.1971 -6.1942 1.2697 1.2746 1.3148 1.3170 1.6359 1.6360 1.6437 1.6450 2.6651 2.6667 2.6725 2.6804 2.8403 2.8492 2.8961 2.9020 2.9612 2.9731 2.9923 3.0032 3.0676 3.0763 3.0856 3.0971 4.3022 4.3383 4.3558 4.4475 4.5492 4.5891 4.6163 4.6235 4.9179 4.9634 5.0316 5.0520 5.2163 5.2450 5.3233 5.3295 5.6276 5.6453 5.6814 5.6917 6.0451 6.0853 6.1229 6.1482 6.6821 6.6910 6.7046 6.7152 7.1568 7.1626 7.2874 7.2974 7.6107 7.6165 7.6482 7.6592 7.8707 7.8830 7.9067 7.9279 11.3876 11.3891 k = 0.3553 0.2549 0.7648 ( 5173 PWs) bands (ev): -6.3056 -6.3043 -6.2517 -6.2513 -6.2461 -6.2457 -6.1959 -6.1931 1.2606 1.2654 1.3096 1.3114 1.6567 1.6568 1.6648 1.6660 2.6500 2.6522 2.6572 2.6647 2.8446 2.8539 2.8999 2.9074 2.9604 2.9717 2.9913 3.0015 3.0725 3.0794 3.0909 3.1016 4.3012 4.3395 4.3560 4.4447 4.5491 4.5862 4.6156 4.6235 4.9142 4.9604 5.0283 5.0516 5.2241 5.2516 5.3384 5.3454 5.6123 5.6285 5.6677 5.6793 6.0522 6.0944 6.1321 6.1551 6.6620 6.6736 6.6832 6.6936 7.1644 7.1723 7.2949 7.3063 7.6125 7.6175 7.6508 7.6614 7.8706 7.8806 7.9048 7.9234 11.3476 11.3489 k = 0.3684 0.2643 0.7532 ( 5177 PWs) bands (ev): -6.3088 -6.3077 -6.2505 -6.2500 -6.2449 -6.2444 -6.1964 -6.1936 1.2537 1.2583 1.3054 1.3067 1.6766 1.6767 1.6851 1.6861 2.6356 2.6383 2.6427 2.6499 2.8489 2.8585 2.9028 2.9116 2.9600 2.9707 2.9903 2.9996 3.0773 3.0826 3.0960 3.1058 4.3005 4.3392 4.3575 4.4415 4.5490 4.5833 4.6146 4.6230 4.9116 4.9587 5.0246 5.0509 5.2326 5.2590 5.3540 5.3619 5.5960 5.6098 5.6536 5.6668 6.0599 6.1036 6.1408 6.1620 6.6403 6.6555 6.6622 6.6708 7.1733 7.1836 7.2992 7.3123 7.6151 7.6188 7.6537 7.6634 7.8698 7.8759 7.9030 7.9179 11.3142 11.3151 k = 0.3816 0.2738 0.7416 ( 5183 PWs) bands (ev): -6.3111 -6.3104 -6.2489 -6.2484 -6.2433 -6.2427 -6.1984 -6.1958 1.2492 1.2537 1.3023 1.3032 1.6951 1.6952 1.7038 1.7048 2.6224 2.6253 2.6297 2.6364 2.8532 2.8632 2.9051 2.9148 2.9600 2.9701 2.9891 2.9976 3.0817 3.0857 3.1007 3.1097 4.3002 4.3376 4.3600 4.4381 4.5488 4.5804 4.6133 4.6220 4.9104 4.9583 5.0206 5.0498 5.2417 5.2671 5.3697 5.3786 5.5787 5.5895 5.6396 5.6545 6.0681 6.1127 6.1492 6.1691 6.6169 6.6363 6.6425 6.6477 7.1831 7.1958 7.3008 7.3159 7.6181 7.6203 7.6569 7.6655 7.8674 7.8687 7.9008 7.9117 11.2884 11.2889 k = 0.3947 0.2832 0.7299 ( 5177 PWs) bands (ev): -6.3127 -6.3122 -6.2471 -6.2466 -6.2414 -6.2407 -6.2021 -6.1996 1.2472 1.2515 1.3004 1.3008 1.7116 1.7117 1.7206 1.7215 2.6108 2.6139 2.6184 2.6246 2.8574 2.8677 2.9069 2.9171 2.9603 2.9698 2.9880 2.9955 3.0858 3.0886 3.1050 3.1131 4.3002 4.3353 4.3634 4.4344 4.5487 4.5774 4.6117 4.6205 4.9106 4.9593 5.0166 5.0485 5.2514 5.2757 5.3854 5.3951 5.5607 5.5682 5.6259 5.6424 6.0767 6.1212 6.1574 6.1762 6.5926 6.6154 6.6238 6.6258 7.1931 7.2084 7.3002 7.3177 7.6213 7.6217 7.6604 7.6676 7.8592 7.8627 7.8978 7.9051 11.2711 11.2712 k = 0.4079 0.2926 0.7183 ( 5167 PWs) bands (ev): -6.3134 -6.3131 -6.2451 -6.2445 -6.2391 -6.2384 -6.2072 -6.2049 1.2478 1.2519 1.2997 1.2997 1.7257 1.7259 1.7350 1.7358 2.6013 2.6043 2.6094 2.6150 2.8616 2.8721 2.9082 2.9187 2.9606 2.9697 2.9869 2.9935 3.0894 3.0913 3.1089 3.1161 4.3006 4.3326 4.3673 4.4306 4.5485 4.5742 4.6100 4.6185 4.9124 4.9616 5.0127 5.0469 5.2617 5.2848 5.4006 5.4110 5.5424 5.5463 5.6128 5.6308 6.0853 6.1286 6.1655 6.1831 6.5685 6.5931 6.6053 6.6058 7.2029 7.2209 7.2980 7.3178 7.6231 7.6247 7.6643 7.6699 7.8478 7.8548 7.8930 7.8981 11.2624 11.2628 k = 0.4211 0.3021 0.7067 ( 5173 PWs) bands (ev): -6.3133 -6.3132 -6.2431 -6.2426 -6.2367 -6.2358 -6.2134 -6.2114 1.2511 1.2550 1.2998 1.3003 1.7372 1.7373 1.7466 1.7473 2.5941 2.5969 2.6028 2.6077 2.8655 2.8762 2.9091 2.9196 2.9611 2.9695 2.9858 2.9914 3.0926 3.0938 3.1123 3.1186 4.3013 4.3296 4.3714 4.4265 4.5482 4.5707 4.6081 4.6160 4.9157 4.9648 5.0089 5.0451 5.2722 5.2942 5.4145 5.4252 5.5246 5.5247 5.6005 5.6196 6.0939 6.1347 6.1735 6.1898 6.5455 6.5709 6.5854 6.5881 7.2118 7.2324 7.2947 7.3168 7.6247 7.6283 7.6684 7.6723 7.8348 7.8440 7.8857 7.8901 11.2629 11.2639 k = 0.4342 0.3115 0.6951 ( 5179 PWs) bands (ev): -6.3125 -6.3122 -6.2419 -6.2415 -6.2341 -6.2330 -6.2199 -6.2185 1.2571 1.2608 1.3012 1.3021 1.7457 1.7458 1.7552 1.7558 2.5895 2.5920 2.5988 2.6030 2.8694 2.8801 2.9096 2.9200 2.9617 2.9693 2.9847 2.9894 3.0954 3.0959 3.1153 3.1206 4.3023 4.3265 4.3758 4.4222 4.5478 4.5670 4.6060 4.6131 4.9204 4.9687 5.0058 5.0430 5.2829 5.3035 5.4253 5.4356 5.5054 5.5095 5.5894 5.6089 6.1022 6.1393 6.1813 6.1959 6.5245 6.5501 6.5655 6.5707 7.2195 7.2423 7.2907 7.3145 7.6269 7.6324 7.6727 7.6750 7.8209 7.8308 7.8755 7.8802 11.2729 11.2745 k = 0.4474 0.3210 0.6835 ( 5185 PWs) bands (ev): -6.3109 -6.3103 -6.2442 -6.2436 -6.2315 -6.2302 -6.2237 -6.2235 1.2657 1.2692 1.3039 1.3052 1.7510 1.7511 1.7606 1.7611 2.5876 2.5898 2.5975 2.6011 2.8730 2.8834 2.9099 2.9198 2.9624 2.9690 2.9836 2.9874 3.0977 3.0978 3.1179 3.1222 4.3037 4.3234 4.3803 4.4178 4.5474 4.5631 4.6038 4.6098 4.9268 4.9724 5.0041 5.0407 5.2935 5.3125 5.4293 5.4378 5.4925 5.5013 5.5796 5.5990 6.1102 6.1421 6.1886 6.2010 6.5063 6.5315 6.5456 6.5536 7.2258 7.2495 7.2868 7.3112 7.6299 7.6371 7.6768 7.6779 7.8066 7.8161 7.8621 7.8676 11.2921 11.2943 k = 0.4605 0.3304 0.6719 ( 5187 PWs) bands (ev): -6.3085 -6.3076 -6.2528 -6.2513 -6.2284 -6.2275 -6.2233 -6.2229 1.2770 1.2804 1.3077 1.3094 1.7532 1.7533 1.7628 1.7632 2.5884 2.5902 2.5990 2.6018 2.8764 2.8860 2.9100 2.9191 2.9635 2.9687 2.9826 2.9854 3.0994 3.0996 3.1201 3.1234 4.3054 4.3203 4.3849 4.4132 4.5469 4.5589 4.6014 4.6061 4.9347 4.9744 5.0054 5.0383 5.3036 5.3205 5.4221 5.4293 5.4904 5.5022 5.5718 5.5899 6.1179 6.1433 6.1949 6.2049 6.4915 6.5158 6.5262 6.5370 7.2304 7.2524 7.2841 7.3066 7.6338 7.6423 7.6797 7.6804 7.7934 7.8012 7.8458 7.8522 11.3203 11.3230 k = 0.4737 0.3398 0.6602 ( 5183 PWs) bands (ev): -6.3052 -6.3040 -6.2651 -6.2634 -6.2248 -6.2244 -6.2201 -6.2198 1.2909 1.2941 1.3128 1.3148 1.7524 1.7524 1.7619 1.7621 2.5918 2.5930 2.6030 2.6050 2.8795 2.8872 2.9104 2.9177 2.9648 2.9685 2.9816 2.9835 3.1008 3.1010 3.1221 3.1243 4.3074 4.3174 4.3896 4.4086 4.5463 4.5545 4.5989 4.6022 4.9440 4.9737 5.0107 5.0357 5.3126 5.3264 5.4078 5.4145 5.4960 5.5072 5.5672 5.5820 6.1249 6.1428 6.2000 6.2072 6.4807 6.5026 6.5086 6.5212 7.2330 7.2499 7.2836 7.3006 7.6386 7.6475 7.6797 7.6812 7.7835 7.7880 7.8269 7.8339 11.3569 11.3600 k = 0.4868 0.3493 0.6486 ( 5182 PWs) bands (ev): -6.3010 -6.2996 -6.2797 -6.2780 -6.2206 -6.2204 -6.2160 -6.2159 1.3073 1.3103 1.3189 1.3214 1.7487 1.7488 1.7581 1.7583 2.5974 2.5981 2.6094 2.6105 2.8821 2.8866 2.9113 2.9156 2.9664 2.9683 2.9810 2.9819 3.1020 3.1022 3.1238 3.1249 4.3096 4.3146 4.3944 4.4039 4.5456 4.5498 4.5963 4.5980 4.9547 4.9707 5.0194 5.0330 5.3190 5.3274 5.3941 5.3989 5.5035 5.5104 5.5671 5.5757 6.1312 6.1404 6.2037 6.2075 6.4742 6.4874 6.4981 6.5066 7.2338 7.2429 7.2841 7.2931 7.6438 7.6512 7.6754 7.6781 7.7786 7.7788 7.8072 7.8136 11.4010 11.4045 k = 0.5000 0.3587 0.6370 ( 5188 PWs) bands (ev): -6.2960 -6.2960 -6.2944 -6.2944 -6.2160 -6.2160 -6.2114 -6.2114 1.3260 1.3260 1.3290 1.3290 1.7426 1.7426 1.7518 1.7518 2.6050 2.6050 2.6178 2.6178 2.8839 2.8839 2.9129 2.9129 2.9678 2.9678 2.9811 2.9811 3.1030 3.1030 3.1252 3.1252 4.3120 4.3120 4.3991 4.3991 4.5448 4.5448 4.5936 4.5936 4.9663 4.9663 5.0304 5.0304 5.3202 5.3202 5.3868 5.3868 5.5096 5.5096 5.5717 5.5717 6.1364 6.1364 6.2058 6.2058 6.4717 6.4717 6.4940 6.4940 7.2327 7.2327 7.2841 7.2841 7.6471 7.6471 7.6703 7.6703 7.7737 7.7737 7.7951 7.7951 11.4516 11.4516 k = 0.5000 0.3587 0.6370 ( 5188 PWs) bands (ev): -6.2960 -6.2960 -6.2944 -6.2944 -6.2160 -6.2160 -6.2114 -6.2114 1.3260 1.3260 1.3290 1.3290 1.7426 1.7426 1.7518 1.7518 2.6050 2.6050 2.6178 2.6178 2.8839 2.8839 2.9129 2.9129 2.9678 2.9678 2.9811 2.9811 3.1030 3.1030 3.1252 3.1252 4.3120 4.3120 4.3991 4.3991 4.5448 4.5448 4.5936 4.5936 4.9663 4.9663 5.0304 5.0304 5.3202 5.3202 5.3868 5.3868 5.5096 5.5096 5.5717 5.5717 6.1364 6.1364 6.2058 6.2058 6.4717 6.4717 6.4940 6.4940 7.2327 7.2327 7.2841 7.2841 7.6471 7.6471 7.6703 7.6703 7.7737 7.7737 7.7951 7.7951 11.4516 11.4516 k = 0.5000 0.3587 0.6171 ( 5172 PWs) bands (ev): -6.3064 -6.3064 -6.3047 -6.3047 -6.2076 -6.2076 -6.2029 -6.2029 1.3501 1.3501 1.3533 1.3533 1.7299 1.7299 1.7387 1.7387 2.6192 2.6192 2.6331 2.6331 2.8816 2.8816 2.9119 2.9119 2.9684 2.9684 2.9818 2.9818 3.1048 3.1048 3.1267 3.1267 4.3122 4.3122 4.3992 4.3992 4.5396 4.5396 4.5873 4.5873 4.9727 4.9727 5.0388 5.0388 5.3078 5.3078 5.3758 5.3758 5.5117 5.5117 5.5752 5.5752 6.1366 6.1366 6.2046 6.2046 6.4588 6.4588 6.4832 6.4832 7.2198 7.2198 7.2738 7.2738 7.6372 7.6372 7.6594 7.6594 7.7608 7.7608 7.7828 7.7828 11.4876 11.4876 k = 0.5000 0.3587 0.5972 ( 5180 PWs) bands (ev): -6.3175 -6.3175 -6.3156 -6.3156 -6.1985 -6.1985 -6.1938 -6.1938 1.3750 1.3750 1.3784 1.3784 1.7165 1.7165 1.7249 1.7249 2.6344 2.6344 2.6492 2.6492 2.8791 2.8791 2.9106 2.9106 2.9691 2.9691 2.9828 2.9828 3.1071 3.1071 3.1287 3.1287 4.3124 4.3124 4.3993 4.3993 4.5340 4.5340 4.5807 4.5807 4.9795 4.9795 5.0470 5.0470 5.2950 5.2950 5.3641 5.3641 5.5137 5.5137 5.5782 5.5782 6.1369 6.1369 6.2034 6.2034 6.4467 6.4467 6.4731 6.4731 7.2038 7.2038 7.2606 7.2606 7.6263 7.6263 7.6481 7.6481 7.7494 7.7494 7.7734 7.7734 11.5251 11.5251 k = 0.5000 0.3587 0.5773 ( 5170 PWs) bands (ev): -6.3291 -6.3291 -6.3272 -6.3272 -6.1888 -6.1888 -6.1842 -6.1842 1.4001 1.4001 1.4038 1.4038 1.7028 1.7028 1.7108 1.7108 2.6503 2.6503 2.6662 2.6662 2.8765 2.8765 2.9093 2.9093 2.9703 2.9703 2.9842 2.9842 3.1100 3.1100 3.1313 3.1313 4.3127 4.3127 4.3996 4.3996 4.5281 4.5281 4.5739 4.5739 4.9868 4.9868 5.0550 5.0550 5.2821 5.2821 5.3520 5.3520 5.5156 5.5156 5.5810 5.5810 6.1376 6.1376 6.2023 6.2023 6.4356 6.4356 6.4641 6.4641 7.1849 7.1849 7.2445 7.2445 7.6146 7.6146 7.6365 7.6365 7.7399 7.7399 7.7664 7.7664 11.5638 11.5639 k = 0.5000 0.3587 0.5574 ( 5162 PWs) bands (ev): -6.3412 -6.3412 -6.3392 -6.3392 -6.1786 -6.1786 -6.1740 -6.1740 1.4249 1.4249 1.4288 1.4288 1.6893 1.6893 1.6969 1.6969 2.6668 2.6668 2.6836 2.6836 2.8740 2.8740 2.9080 2.9080 2.9721 2.9721 2.9862 2.9862 3.1134 3.1134 3.1343 3.1343 4.3132 4.3132 4.4000 4.4000 4.5220 4.5220 4.5669 4.5669 4.9943 4.9943 5.0625 5.0625 5.2694 5.2694 5.3398 5.3398 5.5173 5.5173 5.5835 5.5835 6.1386 6.1386 6.2011 6.2011 6.4257 6.4257 6.4564 6.4564 7.1635 7.1635 7.2257 7.2257 7.6028 7.6028 7.6249 7.6249 7.7322 7.7322 7.7612 7.7612 11.6033 11.6033 k = 0.5000 0.3587 0.5375 ( 5162 PWs) bands (ev): -6.3537 -6.3537 -6.3516 -6.3516 -6.1679 -6.1679 -6.1633 -6.1633 1.4484 1.4484 1.4526 1.4526 1.6767 1.6767 1.6837 1.6837 2.6835 2.6835 2.7013 2.7013 2.8715 2.8715 2.9067 2.9067 2.9746 2.9746 2.9888 2.9888 3.1174 3.1174 3.1379 3.1379 4.3136 4.3136 4.4005 4.4005 4.5157 4.5157 4.5599 4.5599 5.0017 5.0017 5.0689 5.0689 5.2575 5.2575 5.3278 5.3278 5.5188 5.5188 5.5855 5.5855 6.1397 6.1397 6.1999 6.1999 6.4172 6.4172 6.4499 6.4499 7.1398 7.1398 7.2042 7.2042 7.5910 7.5910 7.6135 7.6135 7.7261 7.7261 7.7573 7.7573 11.6430 11.6438 k = 0.5000 0.3587 0.5176 ( 5154 PWs) bands (ev): -6.3665 -6.3665 -6.3644 -6.3644 -6.1569 -6.1569 -6.1523 -6.1523 1.4691 1.4691 1.4736 1.4736 1.6663 1.6663 1.6728 1.6728 2.7003 2.7003 2.7190 2.7190 2.8693 2.8693 2.9057 2.9057 2.9780 2.9780 2.9923 2.9923 3.1219 3.1219 3.1420 3.1420 4.3143 4.3143 4.4012 4.4012 4.5092 4.5092 4.5529 4.5529 5.0087 5.0087 5.0736 5.0736 5.2469 5.2469 5.3166 5.3166 5.5199 5.5199 5.5872 5.5872 6.1412 6.1412 6.1987 6.1987 6.4103 6.4103 6.4450 6.4450 7.1145 7.1145 7.1807 7.1807 7.5796 7.5796 7.6022 7.6022 7.7212 7.7212 7.7543 7.7543 11.6824 11.6825 k = 0.5000 0.3587 0.4977 ( 5152 PWs) bands (ev): -6.3796 -6.3796 -6.3774 -6.3774 -6.1454 -6.1454 -6.1409 -6.1409 1.4851 1.4851 1.4899 1.4899 1.6600 1.6600 1.6658 1.6658 2.7166 2.7166 2.7364 2.7364 2.8674 2.8674 2.9050 2.9050 2.9826 2.9826 2.9968 2.9968 3.1268 3.1268 3.1466 3.1466 4.3151 4.3151 4.4021 4.4021 4.5025 4.5025 4.5458 4.5458 5.0148 5.0148 5.0760 5.0760 5.2383 5.2383 5.3067 5.3067 5.5208 5.5208 5.5884 5.5884 6.1428 6.1428 6.1974 6.1974 6.4050 6.4050 6.4415 6.4415 7.0882 7.0882 7.1557 7.1557 7.5686 7.5686 7.5912 7.5912 7.7172 7.7172 7.7519 7.7519 11.7209 11.7225 k = 0.5000 0.3587 0.4777 ( 5152 PWs) bands (ev): -6.3928 -6.3928 -6.3906 -6.3906 -6.1337 -6.1337 -6.1292 -6.1292 1.4939 1.4939 1.4989 1.4989 1.6603 1.6603 1.6651 1.6651 2.7322 2.7322 2.7530 2.7530 2.8662 2.8662 2.9048 2.9048 2.9887 2.9887 3.0025 3.0025 3.1322 3.1322 3.1516 3.1516 4.3160 4.3160 4.4032 4.4032 4.4958 4.4958 4.5389 4.5389 5.0195 5.0195 5.0754 5.0754 5.2325 5.2325 5.2989 5.2989 5.5212 5.5212 5.5891 5.5891 6.1446 6.1446 6.1960 6.1960 6.4013 6.4013 6.4393 6.4393 7.0614 7.0614 7.1296 7.1296 7.5578 7.5578 7.5804 7.5804 7.7139 7.7139 7.7499 7.7499 11.7576 11.7578 k = 0.5000 0.3587 0.4578 ( 5154 PWs) bands (ev): -6.4061 -6.4061 -6.4039 -6.4039 -6.1217 -6.1217 -6.1173 -6.1173 1.4941 1.4941 1.4992 1.4992 1.6682 1.6682 1.6719 1.6719 2.7465 2.7465 2.7686 2.7686 2.8656 2.8656 2.9051 2.9051 2.9965 2.9965 3.0098 3.0098 3.1380 3.1380 3.1570 3.1570 4.3171 4.3171 4.4045 4.4045 4.4890 4.4890 4.5321 4.5321 5.0219 5.0219 5.0717 5.0717 5.2298 5.2298 5.2937 5.2937 5.5212 5.5212 5.5894 5.5894 6.1466 6.1466 6.1947 6.1947 6.3990 6.3990 6.4382 6.4382 7.0348 7.0348 7.1032 7.1032 7.5474 7.5474 7.5698 7.5698 7.7110 7.7110 7.7480 7.7480 11.7916 11.7919 k = 0.5000 0.3587 0.4379 ( 5166 PWs) bands (ev): -6.4194 -6.4194 -6.4172 -6.4172 -6.1095 -6.1095 -6.1052 -6.1052 1.4866 1.4866 1.4916 1.4916 1.6829 1.6829 1.6856 1.6856 2.7594 2.7594 2.7827 2.7827 2.8660 2.8660 2.9059 2.9059 3.0064 3.0064 3.0188 3.0188 3.1440 3.1440 3.1627 3.1627 4.3184 4.3184 4.4059 4.4059 4.4822 4.4822 4.5255 4.5255 5.0213 5.0213 5.0651 5.0651 5.2302 5.2302 5.2919 5.2919 5.5208 5.5208 5.5891 5.5891 6.1486 6.1486 6.1933 6.1933 6.3980 6.3980 6.4379 6.4379 7.0092 7.0092 7.0770 7.0770 7.5371 7.5371 7.5593 7.5593 7.7083 7.7083 7.7462 7.7462 11.8213 11.8215 k = 0.5000 0.3587 0.4180 ( 5166 PWs) bands (ev): -6.4326 -6.4326 -6.4304 -6.4304 -6.0973 -6.0973 -6.0930 -6.0930 1.4734 1.4734 1.4783 1.4783 1.7019 1.7019 1.7039 1.7039 2.7705 2.7705 2.7950 2.7950 2.8674 2.8674 2.9070 2.9070 3.0186 3.0186 3.0299 3.0299 3.1504 3.1504 3.1688 3.1688 4.3198 4.3198 4.4076 4.4076 4.4755 4.4755 4.5194 4.5194 5.0173 5.0173 5.0565 5.0565 5.2335 5.2335 5.2935 5.2935 5.5201 5.5201 5.5883 5.5883 6.1508 6.1508 6.1919 6.1919 6.3978 6.3978 6.4379 6.4379 6.9853 6.9853 7.0520 7.0520 7.5270 7.5270 7.5490 7.5490 7.7057 7.7057 7.7442 7.7442 11.8431 11.8470 k = 0.5000 0.3587 0.3981 ( 5178 PWs) bands (ev): -6.4457 -6.4457 -6.4436 -6.4436 -6.0849 -6.0849 -6.0808 -6.0808 1.4566 1.4566 1.4613 1.4613 1.7232 1.7232 1.7247 1.7247 2.7800 2.7800 2.8054 2.8054 2.8698 2.8698 2.9085 2.9085 3.0328 3.0328 3.0433 3.0433 3.1569 3.1569 3.1752 3.1752 4.3212 4.3212 4.4092 4.4092 4.4690 4.4690 4.5136 4.5136 5.0095 5.0095 5.0464 5.0464 5.2395 5.2395 5.2985 5.2985 5.5188 5.5188 5.5869 5.5869 6.1530 6.1530 6.1906 6.1906 6.3978 6.3978 6.4374 6.4374 6.9640 6.9640 7.0287 7.0287 7.5169 7.5169 7.5388 7.5388 7.7029 7.7029 7.7419 7.7419 11.8418 11.8440 k = 0.5000 0.3587 0.3782 ( 5174 PWs) bands (ev): -6.4587 -6.4587 -6.4565 -6.4565 -6.0726 -6.0726 -6.0686 -6.0686 1.4375 1.4375 1.4421 1.4421 1.7454 1.7454 1.7465 1.7465 2.7880 2.7880 2.8138 2.8138 2.8730 2.8730 2.9100 2.9100 3.0490 3.0490 3.0590 3.0590 3.1637 3.1637 3.1818 3.1818 4.3229 4.3229 4.4109 4.4109 4.4629 4.4629 4.5085 4.5085 4.9985 4.9985 5.0354 5.0354 5.2479 5.2479 5.3064 5.3064 5.5173 5.5173 5.5851 5.5851 6.1553 6.1553 6.1895 6.1895 6.3976 6.3976 6.4360 6.4360 6.9464 6.9464 7.0081 7.0081 7.5070 7.5070 7.5289 7.5289 7.6998 7.6998 7.7392 7.7392 11.7969 11.7982 k = 0.5000 0.3587 0.3583 ( 5184 PWs) bands (ev): -6.4713 -6.4713 -6.4692 -6.4692 -6.0604 -6.0604 -6.0565 -6.0565 1.4171 1.4171 1.4215 1.4215 1.7675 1.7675 1.7684 1.7684 2.7949 2.7949 2.8207 2.8207 2.8767 2.8767 2.9115 2.9115 3.0667 3.0667 3.0770 3.0770 3.1705 3.1705 3.1886 3.1886 4.3245 4.3245 4.4122 4.4122 4.4576 4.4576 4.5040 4.5040 4.9852 4.9852 5.0234 5.0234 5.2583 5.2583 5.3165 5.3165 5.5154 5.5154 5.5827 5.5827 6.1576 6.1576 6.1885 6.1885 6.3960 6.3960 6.4326 6.4326 6.9332 6.9332 6.9911 6.9911 7.4971 7.4971 7.5191 7.5191 7.6963 7.6963 7.7361 7.7361 11.7307 11.7345 k = 0.5000 0.3587 0.3384 ( 5182 PWs) bands (ev): -6.4837 -6.4837 -6.4816 -6.4816 -6.0483 -6.0483 -6.0446 -6.0446 1.3960 1.3960 1.4002 1.4002 1.7889 1.7889 1.7897 1.7897 2.8011 2.8011 2.8265 2.8265 2.8807 2.8807 2.9129 2.9129 3.0857 3.0857 3.0969 3.0969 3.1774 3.1774 3.1956 3.1956 4.3263 4.3263 4.4127 4.4127 4.4535 4.4535 4.5005 4.5005 4.9704 4.9704 5.0106 5.0106 5.2706 5.2706 5.3282 5.3282 5.5133 5.5133 5.5799 5.5799 6.1601 6.1601 6.1877 6.1877 6.3924 6.3924 6.4266 6.4266 6.9253 6.9253 6.9785 6.9785 7.4874 7.4874 7.5095 7.5095 7.6923 7.6923 7.7323 7.7323 11.6620 11.6620 k = 0.5000 0.3587 0.3185 ( 5186 PWs) bands (ev): -6.4956 -6.4956 -6.4936 -6.4936 -6.0365 -6.0365 -6.0329 -6.0329 1.3746 1.3746 1.3786 1.3786 1.8093 1.8093 1.8101 1.8101 2.8067 2.8067 2.8316 2.8316 2.8844 2.8844 2.9142 2.9142 3.1056 3.1056 3.1181 3.1181 3.1843 3.1843 3.2029 3.2029 4.3279 4.3279 4.4119 4.4119 4.4511 4.4511 4.4978 4.4978 4.9548 4.9548 4.9970 4.9970 5.2842 5.2842 5.3411 5.3411 5.5110 5.5110 5.5767 5.5767 6.1626 6.1626 6.1872 6.1872 6.3859 6.3859 6.4174 6.4174 6.9233 6.9233 6.9712 6.9712 7.4778 7.4778 7.5003 7.5003 7.6876 7.6876 7.7279 7.7279 11.5952 11.5953 k = 0.5000 0.3587 0.2986 ( 5188 PWs) bands (ev): -6.5071 -6.5071 -6.5052 -6.5052 -6.0249 -6.0249 -6.0214 -6.0214 1.3533 1.3533 1.3570 1.3570 1.8285 1.8285 1.8292 1.8292 2.8121 2.8121 2.8364 2.8364 2.8879 2.8879 2.9153 2.9153 3.1260 3.1260 3.1401 3.1401 3.1913 3.1913 3.2105 3.2105 4.3294 4.3294 4.4094 4.4094 4.4509 4.4509 4.4963 4.4963 4.9390 4.9390 4.9829 4.9829 5.2989 5.2989 5.3546 5.3546 5.5087 5.5087 5.5731 5.5731 6.1651 6.1651 6.1868 6.1868 6.3758 6.3758 6.4049 6.4049 6.9274 6.9274 6.9697 6.9697 7.4684 7.4684 7.4914 7.4914 7.6823 7.6823 7.7227 7.7227 11.5320 11.5320 k = 0.5000 0.3587 0.2787 ( 5180 PWs) bands (ev): -6.5181 -6.5181 -6.5163 -6.5163 -6.0137 -6.0137 -6.0104 -6.0104 1.3322 1.3322 1.3358 1.3358 1.8462 1.8462 1.8469 1.8469 2.8175 2.8175 2.8410 2.8410 2.8911 2.8911 2.9164 2.9164 3.1463 3.1463 3.1622 3.1622 3.1982 3.1982 3.2187 3.2187 4.3307 4.3307 4.4053 4.4053 4.4528 4.4528 4.4961 4.4961 4.9233 4.9233 4.9686 4.9686 5.3143 5.3143 5.3686 5.3686 5.5065 5.5065 5.5694 5.5694 6.1677 6.1677 6.1865 6.1865 6.3619 6.3619 6.3893 6.3893 6.9375 6.9375 6.9743 6.9743 7.4593 7.4593 7.4830 7.4830 7.6761 7.6761 7.7167 7.7167 11.4726 11.4744 k = 0.5000 0.3587 0.2588 ( 5184 PWs) bands (ev): -6.5286 -6.5286 -6.5269 -6.5269 -6.0029 -6.0029 -5.9998 -5.9998 1.3117 1.3117 1.3150 1.3150 1.8624 1.8624 1.8630 1.8630 2.8228 2.8228 2.8455 2.8455 2.8940 2.8940 2.9174 2.9174 3.1657 3.1657 3.1838 3.1838 3.2054 3.2054 3.2278 3.2278 4.3316 4.3316 4.4001 4.4001 4.4563 4.4563 4.4970 4.4970 4.9080 4.9080 4.9542 4.9542 5.3300 5.3300 5.3825 5.3825 5.5046 5.5046 5.5656 5.5656 6.1701 6.1701 6.1863 6.1863 6.3444 6.3444 6.3707 6.3707 6.9531 6.9531 6.9847 6.9847 7.4506 7.4506 7.4751 7.4751 7.6691 7.6691 7.7097 7.7097 11.4175 11.4175 k = 0.5000 0.3587 0.2389 ( 5176 PWs) bands (ev): -6.5385 -6.5385 -6.5369 -6.5369 -5.9926 -5.9926 -5.9897 -5.9897 1.2920 1.2920 1.2951 1.2951 1.8771 1.8771 1.8777 1.8777 2.8281 2.8281 2.8499 2.8499 2.8966 2.8966 2.9183 2.9183 3.1833 3.1833 3.2028 3.2028 3.2146 3.2146 3.2385 3.2385 4.3323 4.3323 4.3943 4.3943 4.4611 4.4611 4.4993 4.4993 4.8932 4.8932 4.9399 4.9399 5.3456 5.3456 5.3962 5.3962 5.5033 5.5033 5.5620 5.5620 6.1723 6.1723 6.1859 6.1859 6.3241 6.3241 6.3497 6.3497 6.9734 6.9734 7.0007 7.0007 7.4423 7.4423 7.4679 7.4679 7.6610 7.6610 7.7017 7.7017 11.3666 11.3666 k = 0.5000 0.3587 0.2190 ( 5190 PWs) bands (ev): -6.5478 -6.5478 -6.5462 -6.5462 -5.9829 -5.9829 -5.9801 -5.9801 1.2731 1.2731 1.2760 1.2760 1.8901 1.8901 1.8907 1.8907 2.8334 2.8334 2.8542 2.8542 2.8991 2.8991 2.9192 2.9192 3.1982 3.1982 3.2138 3.2138 3.2306 3.2306 3.2512 3.2512 4.3326 4.3326 4.3881 4.3881 4.4668 4.4668 4.5027 4.5027 4.8790 4.8790 4.9257 4.9257 5.3606 5.3606 5.4092 5.4092 5.5028 5.5028 5.5589 5.5589 6.1741 6.1741 6.1851 6.1851 6.3020 6.3020 6.3269 6.3269 6.9975 6.9975 7.0215 7.0215 7.4346 7.4346 7.4614 7.4614 7.6519 7.6519 7.6925 7.6925 11.3201 11.3280 k = 0.5000 0.3587 0.1991 ( 5194 PWs) bands (ev): -6.5563 -6.5563 -6.5549 -6.5549 -5.9737 -5.9737 -5.9712 -5.9712 1.2553 1.2553 1.2580 1.2580 1.9017 1.9017 1.9023 1.9023 2.8386 2.8386 2.8583 2.8583 2.9015 2.9015 2.9200 2.9200 3.2098 3.2098 3.2206 3.2206 3.2496 3.2496 3.2660 3.2660 4.3327 4.3327 4.3818 4.3818 4.4733 4.4733 4.5070 4.5070 4.8658 4.8658 4.9119 4.9119 5.3746 5.3746 5.4211 5.4211 5.5036 5.5036 5.5567 5.5567 6.1749 6.1749 6.1834 6.1834 6.2794 6.2794 6.3031 6.3031 7.0246 7.0246 7.0461 7.0461 7.4275 7.4275 7.4559 7.4559 7.6416 7.6416 7.6823 7.6823 11.2779 11.2779 k = 0.5000 0.3587 0.1792 ( 5204 PWs) bands (ev): -6.5642 -6.5642 -6.5629 -6.5629 -5.9652 -5.9652 -5.9629 -5.9629 1.2388 1.2388 1.2412 1.2412 1.9119 1.9119 1.9124 1.9124 2.8436 2.8436 2.8621 2.8621 2.9039 2.9039 2.9209 2.9209 3.2187 3.2187 3.2263 3.2263 3.2682 3.2682 3.2818 3.2818 4.3325 4.3325 4.3757 4.3757 4.4804 4.4804 4.5121 4.5121 4.8536 4.8536 4.8986 4.8986 5.3871 5.3871 5.4314 5.4314 5.5061 5.5061 5.5557 5.5557 6.1737 6.1737 6.1806 6.1806 6.2580 6.2580 6.2795 6.2795 7.0536 7.0536 7.0737 7.0737 7.4214 7.4214 7.4516 7.4516 7.6301 7.6301 7.6707 7.6707 11.2401 11.2401 k = 0.5000 0.3587 0.1592 ( 5202 PWs) bands (ev): -6.5713 -6.5713 -6.5702 -6.5702 -5.9575 -5.9575 -5.9554 -5.9554 1.2237 1.2237 1.2258 1.2258 1.9207 1.9207 1.9212 1.9212 2.8485 2.8485 2.8654 2.8654 2.9064 2.9064 2.9218 2.9218 3.2257 3.2257 3.2313 3.2313 3.2859 3.2859 3.2976 3.2976 4.3322 4.3322 4.3696 4.3696 4.4879 4.4879 4.5177 4.5177 4.8425 4.8425 4.8857 4.8857 5.3976 5.3976 5.4395 5.4395 5.5108 5.5108 5.5563 5.5563 6.1681 6.1681 6.1764 6.1764 6.2401 6.2401 6.2579 6.2579 7.0838 7.0838 7.1031 7.1031 7.4163 7.4163 7.4486 7.4486 7.6174 7.6174 7.6579 7.6579 11.2065 11.2066 k = 0.5000 0.3587 0.1393 ( 5198 PWs) bands (ev): -6.5776 -6.5776 -6.5766 -6.5766 -5.9505 -5.9505 -5.9487 -5.9487 1.2100 1.2100 1.2119 1.2119 1.9281 1.9281 1.9286 1.9286 2.8530 2.8530 2.8682 2.8682 2.9090 2.9090 2.9226 2.9226 3.2313 3.2313 3.2358 3.2358 3.3023 3.3023 3.3126 3.3126 4.3318 4.3318 4.3639 4.3639 4.4958 4.4958 4.5235 4.5235 4.8327 4.8327 4.8734 4.8734 5.4061 5.4061 5.4449 5.4449 5.5179 5.5179 5.5588 5.5588 6.1568 6.1568 6.1694 6.1694 6.2273 6.2273 6.2407 6.2407 7.1140 7.1140 7.1332 7.1332 7.4127 7.4127 7.4474 7.4474 7.6033 7.6033 7.6437 7.6437 11.1773 11.1773 k = 0.5000 0.3587 0.1194 ( 5194 PWs) bands (ev): -6.5832 -6.5832 -6.5823 -6.5823 -5.9443 -5.9443 -5.9427 -5.9427 1.1980 1.1980 1.1996 1.1996 1.9344 1.9344 1.9348 1.9348 2.8572 2.8572 2.8705 2.8705 2.9116 2.9116 2.9234 2.9234 3.2360 3.2360 3.2396 3.2396 3.3171 3.3171 3.3261 3.3261 4.3315 4.3315 4.3585 4.3585 4.5039 4.5039 4.5291 4.5291 4.8244 4.8244 4.8617 4.8617 5.4126 5.4126 5.4476 5.4476 5.5271 5.5271 5.5627 5.5627 6.1414 6.1414 6.1574 6.1574 6.2197 6.2197 6.2296 6.2296 7.1435 7.1435 7.1627 7.1627 7.4109 7.4109 7.4481 7.4481 7.5879 7.5879 7.6281 7.6281 11.1522 11.1538 k = 0.5000 0.3587 0.0995 ( 5186 PWs) bands (ev): -6.5879 -6.5879 -6.5872 -6.5872 -5.9390 -5.9390 -5.9377 -5.9377 1.1877 1.1877 1.1890 1.1890 1.9396 1.9396 1.9399 1.9399 2.8609 2.8609 2.8721 2.8721 2.9141 2.9141 2.9240 2.9240 3.2399 3.2399 3.2428 3.2428 3.3302 3.3302 3.3379 3.3379 4.3314 4.3314 4.3536 4.3536 4.5118 4.5118 4.5341 4.5341 4.8177 4.8177 4.8508 4.8508 5.4176 5.4176 5.4480 5.4480 5.5376 5.5376 5.5677 5.5677 6.1247 6.1247 6.1414 6.1414 6.2161 6.2161 6.2236 6.2236 7.1711 7.1711 7.1902 7.1902 7.4116 7.4116 7.4512 7.4512 7.5712 7.5712 7.6112 7.6112 11.1313 11.1314 k = 0.5000 0.3587 0.0796 ( 5186 PWs) bands (ev): -6.5918 -6.5918 -6.5912 -6.5912 -5.9346 -5.9346 -5.9335 -5.9335 1.1791 1.1791 1.1802 1.1802 1.9437 1.9437 1.9440 1.9440 2.8641 2.8641 2.8732 2.8732 2.9166 2.9166 2.9245 2.9245 3.2430 3.2430 3.2454 3.2454 3.3413 3.3413 3.3476 3.3476 4.3315 4.3315 4.3490 4.3490 4.5193 4.5193 4.5382 4.5382 4.8127 4.8127 4.8407 4.8407 5.4216 5.4216 5.4466 5.4466 5.5485 5.5485 5.5728 5.5728 6.1089 6.1089 6.1241 6.1241 6.2147 6.2147 6.2205 6.2205 7.1960 7.1960 7.2141 7.2141 7.4155 7.4155 7.4570 7.4570 7.5533 7.5533 7.5931 7.5931 11.1144 11.1169 k = 0.5000 0.3587 0.0597 ( 5198 PWs) bands (ev): -6.5948 -6.5948 -6.5943 -6.5943 -5.9311 -5.9311 -5.9303 -5.9303 1.1724 1.1724 1.1732 1.1732 1.9468 1.9468 1.9470 1.9470 2.8669 2.8669 2.8737 2.8737 2.9189 2.9189 2.9248 2.9248 3.2455 3.2455 3.2473 3.2473 3.3503 3.3503 3.3550 3.3550 4.3320 4.3320 4.3450 4.3450 4.5262 4.5262 4.5411 4.5411 4.8096 4.8096 4.8316 4.8316 5.4250 5.4250 5.4442 5.4442 5.5588 5.5588 5.5772 5.5772 6.0958 6.0958 6.1082 6.1082 6.2145 6.2145 6.2187 6.2187 7.2170 7.2170 7.2329 7.2329 7.4232 7.4232 7.4656 7.4656 7.5346 7.5346 7.5741 7.5741 11.1014 11.1025 k = 0.5000 0.3587 0.0398 ( 5198 PWs) bands (ev): -6.5969 -6.5969 -6.5966 -6.5966 -5.9285 -5.9285 -5.9280 -5.9280 1.1676 1.1676 1.1682 1.1682 1.9490 1.9490 1.9491 1.9491 2.8692 2.8692 2.8737 2.8737 2.9208 2.9208 2.9247 2.9247 3.2474 3.2474 3.2486 3.2486 3.3570 3.3570 3.3602 3.3602 4.3328 4.3328 4.3414 4.3414 4.5322 4.5322 4.5425 4.5425 4.8086 4.8086 4.8238 4.8238 5.4282 5.4282 5.4412 5.4412 5.5678 5.5678 5.5802 5.5802 6.0863 6.0863 6.0950 6.0950 6.2148 6.2148 6.2176 6.2176 7.2336 7.2336 7.2455 7.2455 7.4352 7.4352 7.4762 7.4762 7.5165 7.5165 7.5545 7.5545 11.0924 11.0933 k = 0.5000 0.3587 0.0199 ( 5194 PWs) bands (ev): -6.5982 -6.5982 -6.5980 -6.5980 -5.9269 -5.9269 -5.9266 -5.9266 1.1648 1.1648 1.1651 1.1651 1.9503 1.9503 1.9504 1.9504 2.8710 2.8710 2.8732 2.8732 2.9224 2.9224 2.9243 2.9243 3.2487 3.2487 3.2493 3.2493 3.3614 3.3614 3.3631 3.3631 4.3342 4.3342 4.3385 4.3385 4.5371 4.5371 4.5424 4.5424 4.8096 4.8096 4.8174 4.8174 5.4314 5.4314 5.4379 5.4379 5.5747 5.5747 5.5810 5.5810 6.0813 6.0813 6.0858 6.0858 6.2154 6.2154 6.2168 6.2168 7.2451 7.2451 7.2515 7.2515 7.4506 7.4506 7.4810 7.4810 7.5066 7.5066 7.5352 7.5352 11.0874 11.0883 k = 0.5000 0.3587 0.0000 ( 5186 PWs) bands (ev): -6.5985 -6.5985 -6.5985 -6.5985 -5.9263 -5.9263 -5.9263 -5.9263 1.1640 1.1640 1.1640 1.1640 1.9508 1.9508 1.9508 1.9508 2.8723 2.8723 2.8723 2.8723 2.9236 2.9236 2.9236 2.9236 3.2493 3.2493 3.2493 3.2493 3.3635 3.3635 3.3635 3.3635 4.3361 4.3361 4.3361 4.3361 4.5406 4.5406 4.5406 4.5406 4.8126 4.8126 4.8126 4.8126 5.4346 5.4346 5.4346 5.4346 5.5792 5.5792 5.5792 5.5792 6.0811 6.0811 6.0811 6.0811 6.2161 6.2161 6.2161 6.2161 7.2512 7.2512 7.2512 7.2512 7.4678 7.4678 7.4678 7.4678 7.5174 7.5174 7.5174 7.5174 11.0859 11.0859 k = 0.0000 0.0000 0.8577 ( 5192 PWs) bands (ev): -6.2688 -6.2688 -6.2642 -6.2642 -6.2299 -6.2299 -6.2297 -6.2297 1.1806 1.1806 1.1811 1.1811 1.8141 1.8141 1.8262 1.8262 2.5274 2.5274 2.5295 2.5295 2.8947 2.8947 2.9159 2.9159 2.9694 2.9694 2.9810 2.9810 3.1012 3.1012 3.1237 3.1237 4.3123 4.3123 4.4001 4.4001 4.5748 4.5748 4.6317 4.6317 4.9379 4.9379 4.9739 4.9739 5.4103 5.4103 5.4234 5.4234 5.5217 5.5217 5.5269 5.5269 6.1417 6.1417 6.2159 6.2159 6.5724 6.5724 6.5806 6.5806 7.2556 7.2556 7.2980 7.2980 7.6927 7.6927 7.7231 7.7231 7.9152 7.9152 7.9461 7.9461 11.2403 11.2403 k = 0.0156 0.0112 0.8577 ( 5192 PWs) bands (ev): -6.2688 -6.2687 -6.2642 -6.2642 -6.2300 -6.2298 -6.2298 -6.2296 1.1813 1.1818 1.1820 1.1823 1.8117 1.8118 1.8237 1.8238 2.5293 2.5296 2.5312 2.5318 2.8945 2.8945 2.9153 2.9159 2.9694 2.9696 2.9802 2.9818 3.1004 3.1012 3.1227 3.1239 4.3095 4.3155 4.3945 4.4057 4.5727 4.5770 4.6308 4.6323 4.9349 4.9416 4.9719 4.9767 5.3955 5.4089 5.4189 5.4332 5.5152 5.5162 5.5346 5.5424 6.1361 6.1454 6.2135 6.2158 6.5732 6.5754 6.5800 6.5846 7.2529 7.2574 7.2955 7.2991 7.6919 7.6923 7.7208 7.7239 7.9129 7.9166 7.9443 7.9471 11.2430 11.2434 k = 0.0312 0.0224 0.8577 ( 5176 PWs) bands (ev): -6.2686 -6.2685 -6.2640 -6.2640 -6.2303 -6.2301 -6.2299 -6.2297 1.1841 1.1847 1.1849 1.1854 1.8046 1.8047 1.8164 1.8166 2.5352 2.5357 2.5368 2.5381 2.8940 2.8941 2.9142 2.9154 2.9695 2.9699 2.9795 2.9828 3.0989 3.1005 3.1209 3.1234 4.3070 4.3191 4.3888 4.4111 4.5707 4.5793 4.6298 4.6326 4.9328 4.9462 4.9706 4.9803 5.3778 5.3926 5.4184 5.4347 5.5141 5.5181 5.5508 5.5601 6.1287 6.1470 6.2084 6.2132 6.5778 6.5820 6.5830 6.5918 7.2494 7.2582 7.2918 7.2989 7.6900 7.6908 7.7173 7.7235 7.9099 7.9171 7.9416 7.9472 11.2515 11.2523 k = 0.0469 0.0336 0.8577 ( 5174 PWs) bands (ev): -6.2683 -6.2681 -6.2637 -6.2637 -6.2307 -6.2305 -6.2302 -6.2298 1.1888 1.1894 1.1900 1.1905 1.7931 1.7932 1.8046 1.8049 2.5447 2.5455 2.5459 2.5480 2.8931 2.8932 2.9127 2.9141 2.9697 2.9705 2.9788 2.9837 3.0966 3.0989 3.1183 3.1221 4.3049 4.3228 4.3831 4.4164 4.5686 4.5815 4.6285 4.6327 4.9314 4.9514 4.9700 4.9845 5.3588 5.3754 5.4095 5.4266 5.5216 5.5294 5.5684 5.5787 6.1198 6.1464 6.2008 6.2083 6.5860 6.5894 6.5919 6.6018 7.2450 7.2581 7.2866 7.2974 7.6870 7.6882 7.7124 7.7216 7.9062 7.9169 7.9380 7.9465 11.2656 11.2668 k = 0.0625 0.0448 0.8577 ( 5170 PWs) bands (ev): -6.2679 -6.2677 -6.2634 -6.2633 -6.2312 -6.2311 -6.2305 -6.2301 1.1953 1.1961 1.1970 1.1974 1.7777 1.7779 1.7888 1.7892 2.5574 2.5582 2.5584 2.5610 2.8919 2.8919 2.9107 2.9121 2.9699 2.9714 2.9783 2.9847 3.0935 3.0967 3.1150 3.1200 4.3033 4.3268 4.3774 4.4216 4.5666 4.5838 4.6269 4.6325 4.9308 4.9573 4.9702 4.9893 5.3394 5.3582 5.3959 5.4130 5.5350 5.5457 5.5867 5.5974 6.1098 6.1437 6.1911 6.2018 6.5972 6.5991 6.6045 6.6141 7.2398 7.2569 7.2801 7.2945 7.6829 7.6848 7.7062 7.7185 7.9021 7.9160 7.9337 7.9452 11.2851 11.2866 k = 0.0781 0.0560 0.8577 ( 5170 PWs) bands (ev): -6.2674 -6.2671 -6.2629 -6.2628 -6.2319 -6.2317 -6.2309 -6.2305 1.2037 1.2045 1.2058 1.2062 1.7590 1.7592 1.7696 1.7701 2.5726 2.5730 2.5740 2.5766 2.8902 2.8902 2.9081 2.9091 2.9702 2.9728 2.9779 2.9858 3.0898 3.0939 3.1110 3.1172 4.3020 4.3309 4.3717 4.4265 4.5646 4.5861 4.6252 4.6320 4.9308 4.9639 4.9711 4.9947 5.3201 5.3412 5.3800 5.3968 5.5510 5.5643 5.6050 5.6161 6.0990 6.1393 6.1796 6.1939 6.6112 6.6118 6.6195 6.6285 7.2338 7.2547 7.2721 7.2902 7.6779 7.6805 7.6988 7.7140 7.8979 7.9147 7.9289 7.9435 11.3097 11.3114 k = 0.0938 0.0673 0.8577 ( 5176 PWs) bands (ev): -6.2668 -6.2664 -6.2623 -6.2623 -6.2326 -6.2324 -6.2315 -6.2310 1.2139 1.2148 1.2164 1.2168 1.7376 1.7377 1.7477 1.7483 2.5897 2.5897 2.5915 2.5944 2.8878 2.8879 2.9049 2.9050 2.9706 2.9746 2.9777 2.9868 3.0854 3.0905 3.1064 3.1138 4.3013 4.3350 4.3660 4.4312 4.5626 4.5885 4.6233 4.6312 4.9315 4.9710 4.9727 5.0005 5.3012 5.3247 5.3633 5.3798 5.5681 5.5836 5.6232 5.6344 6.0878 6.1334 6.1666 6.1850 6.6271 6.6273 6.6363 6.6445 7.2271 7.2514 7.2627 7.2845 7.6721 7.6756 7.6905 7.7083 7.8937 7.9130 7.9237 7.9415 11.3391 11.3408 k = 0.1094 0.0785 0.8577 ( 5174 PWs) bands (ev): -6.2661 -6.2657 -6.2617 -6.2616 -6.2334 -6.2332 -6.2321 -6.2316 1.2258 1.2267 1.2286 1.2291 1.7141 1.7143 1.7236 1.7243 2.6079 2.6082 2.6104 2.6136 2.8848 2.8852 2.8999 2.9010 2.9713 2.9768 2.9777 2.9880 3.0806 3.0867 3.1012 3.1098 4.3010 4.3391 4.3604 4.4356 4.5607 4.5910 4.6214 4.6303 4.9329 4.9748 4.9787 5.0067 5.2831 5.3089 5.3467 5.3627 5.5854 5.6029 5.6408 5.6520 6.0766 6.1263 6.1527 6.1756 6.6447 6.6451 6.6544 6.6617 7.2196 7.2470 7.2520 7.2776 7.6657 7.6703 7.6813 7.7016 7.8898 7.9112 7.9184 7.9394 11.3726 11.3745 k = 0.1250 0.0897 0.8577 ( 5174 PWs) bands (ev): -6.2653 -6.2648 -6.2611 -6.2610 -6.2342 -6.2340 -6.2328 -6.2323 1.2391 1.2402 1.2424 1.2429 1.6891 1.6893 1.6981 1.6989 2.6268 2.6275 2.6302 2.6339 2.8811 2.8818 2.8938 2.8965 2.9721 2.9780 2.9795 2.9891 3.0753 3.0827 3.0957 3.1053 4.3011 4.3431 4.3549 4.4398 4.5588 4.5935 4.6195 4.6291 4.9346 4.9775 4.9867 5.0131 5.2659 5.2940 5.3304 5.3460 5.6026 5.6216 5.6577 5.6688 6.0657 6.1185 6.1380 6.1661 6.6638 6.6640 6.6734 6.6795 7.2116 7.2401 7.2416 7.2694 7.6590 7.6649 7.6716 7.6942 7.8864 7.9095 7.9130 7.9373 11.4098 11.4117 k = 0.1406 0.1009 0.8577 ( 5182 PWs) bands (ev): -6.2645 -6.2639 -6.2604 -6.2602 -6.2351 -6.2348 -6.2336 -6.2329 1.2539 1.2551 1.2576 1.2580 1.6633 1.6635 1.6717 1.6727 2.6460 2.6470 2.6504 2.6547 2.8765 2.8778 2.8865 2.8912 2.9733 2.9786 2.9826 2.9901 3.0698 3.0786 3.0898 3.1004 4.3017 4.3468 4.3495 4.4436 4.5570 4.5960 4.6177 4.6277 4.9368 4.9806 4.9949 5.0195 5.2497 5.2801 5.3149 5.3298 5.6192 5.6392 5.6736 5.6844 6.0555 6.1102 6.1230 6.1566 6.6834 6.6840 6.6925 6.6976 7.2030 7.2270 7.2354 7.2601 7.6522 7.6595 7.6618 7.6862 7.8836 7.9078 7.9078 7.9354 11.4497 11.4517 k = 0.1562 0.1121 0.8577 ( 5172 PWs) bands (ev): -6.2637 -6.2630 -6.2598 -6.2595 -6.2360 -6.2357 -6.2344 -6.2336 1.2697 1.2710 1.2738 1.2742 1.6373 1.6374 1.6451 1.6461 2.6649 2.6662 2.6704 2.6756 2.8712 2.8733 2.8781 2.8853 2.9748 2.9794 2.9861 2.9911 3.0643 3.0748 3.0838 3.0953 4.3028 4.3443 4.3503 4.4470 4.5553 4.5985 4.6159 4.6261 4.9392 4.9841 5.0034 5.0259 5.2349 5.2675 5.3006 5.3147 5.6351 5.6552 5.6882 5.6987 6.0465 6.1019 6.1080 6.1477 6.7027 6.7046 6.7114 6.7153 7.1942 7.2133 7.2287 7.2501 7.6458 7.6522 7.6545 7.6781 7.8816 7.9029 7.9063 7.9337 11.4914 11.4933 k = 0.1719 0.1233 0.8577 ( 5176 PWs) bands (ev): -6.2629 -6.2620 -6.2591 -6.2588 -6.2369 -6.2364 -6.2352 -6.2343 1.2862 1.2878 1.2907 1.2912 1.6116 1.6118 1.6187 1.6200 2.6831 2.6846 2.6897 2.6963 2.8650 2.8681 2.8686 2.8786 2.9766 2.9806 2.9897 2.9918 3.0589 3.0714 3.0778 3.0901 4.3043 4.3393 4.3535 4.4500 4.5538 4.6011 4.6142 4.6243 4.9417 4.9876 5.0117 5.0316 5.2217 5.2563 5.2878 5.3006 5.6499 5.6693 5.7013 5.7115 6.0389 6.0932 6.0940 6.1394 6.7212 6.7247 6.7293 6.7320 7.1854 7.1993 7.2217 7.2397 7.6398 7.6432 7.6502 7.6703 7.8802 7.8983 7.9051 7.9322 11.5335 11.5352 k = 0.1875 0.1345 0.8577 ( 5180 PWs) bands (ev): -6.2621 -6.2611 -6.2586 -6.2581 -6.2377 -6.2371 -6.2360 -6.2350 1.3029 1.3048 1.3077 1.3082 1.5872 1.5874 1.5936 1.5951 2.7000 2.7017 2.7079 2.7164 2.8581 2.8581 2.8627 2.8715 2.9787 2.9818 2.9921 2.9934 3.0538 3.0687 3.0721 3.0850 4.3062 4.3345 4.3561 4.4526 4.5525 4.6036 4.6127 4.6223 4.9441 4.9911 5.0197 5.0366 5.2103 5.2468 5.2769 5.2881 5.6633 5.6809 5.7126 5.7224 6.0333 6.0791 6.0868 6.1321 6.7382 6.7434 6.7455 6.7471 7.1770 7.1858 7.2149 7.2294 7.6346 7.6353 7.6467 7.6629 7.8796 7.8942 7.9041 7.9310 11.5743 11.5757 k = 0.2031 0.1457 0.8577 ( 5200 PWs) bands (ev): -6.2615 -6.2602 -6.2583 -6.2575 -6.2384 -6.2377 -6.2368 -6.2355 1.3188 1.3211 1.3239 1.3246 1.5650 1.5654 1.5705 1.5725 2.7149 2.7165 2.7242 2.7354 2.8467 2.8508 2.8573 2.8644 2.9809 2.9831 2.9918 2.9968 3.0494 3.0670 3.0670 3.0801 4.3085 4.3298 4.3583 4.4546 4.5513 4.6061 4.6115 4.6202 4.9461 4.9941 5.0270 5.0404 5.2008 5.2390 5.2681 5.2773 5.6749 5.6896 5.7217 5.7311 6.0300 6.0659 6.0807 6.1261 6.7529 6.7593 6.7597 6.7599 7.1694 7.1735 7.2090 7.2199 7.6287 7.6303 7.6441 7.6563 7.8795 7.8905 7.9033 7.9301 11.6114 11.6121 k = 0.2188 0.1569 0.8577 ( 5196 PWs) bands (ev): -6.2610 -6.2594 -6.2581 -6.2571 -6.2389 -6.2381 -6.2374 -6.2360 1.3326 1.3355 1.3378 1.3388 1.5466 1.5473 1.5512 1.5537 2.7269 2.7284 2.7378 2.7527 2.8351 2.8440 2.8527 2.8578 2.9832 2.9842 2.9909 2.9997 3.0460 3.0628 3.0666 3.0757 4.3112 4.3255 4.3599 4.4561 4.5506 4.6086 4.6106 4.6181 4.9478 4.9966 5.0334 5.0428 5.1939 5.2334 5.2621 5.2687 5.6846 5.6952 5.7285 5.7376 6.0295 6.0542 6.0761 6.1216 6.7646 6.7692 6.7700 6.7729 7.1635 7.1636 7.2046 7.2119 7.6237 7.6271 7.6428 7.6508 7.8802 7.8874 7.9028 7.9295 11.6418 11.6419 k = 0.2344 0.1681 0.8577 ( 5184 PWs) bands (ev): -6.2606 -6.2588 -6.2581 -6.2568 -6.2392 -6.2382 -6.2378 -6.2362 1.3425 1.3461 1.3474 1.3489 1.5340 1.5353 1.5374 1.5408 2.7352 2.7361 2.7473 2.7665 2.8248 2.8387 2.8498 2.8526 2.9849 2.9855 2.9894 3.0016 3.0439 3.0602 3.0674 3.0720 4.3143 4.3214 4.3609 4.4570 4.5501 4.6101 4.6112 4.6158 4.9489 4.9982 5.0384 5.0433 5.1896 5.2299 5.2591 5.2626 5.6917 5.6974 5.7327 5.7416 6.0317 6.0444 6.0732 6.1189 6.7726 6.7748 6.7769 6.7815 7.1571 7.1595 7.2024 7.2061 7.6206 7.6251 7.6428 7.6465 7.8814 7.8847 7.9025 7.9292 11.6617 11.6625 k = 0.2500 0.1794 0.8577 ( 5176 PWs) bands (ev): -6.2605 -6.2583 -6.2583 -6.2567 -6.2394 -6.2381 -6.2381 -6.2363 1.3461 1.3505 1.3505 1.3527 1.5294 1.5316 1.5317 1.5361 2.7384 2.7386 2.7508 2.7726 2.8199 2.8366 2.8496 2.8498 2.9851 2.9875 2.9877 3.0022 3.0432 3.0593 3.0691 3.0694 4.3177 4.3178 4.3612 4.4573 4.5500 4.6100 4.6135 4.6137 4.9493 4.9988 5.0418 5.0420 5.1881 5.2287 5.2592 5.2594 5.6960 5.6962 5.7341 5.7429 6.0368 6.0368 6.0722 6.1179 6.7762 6.7762 6.7795 6.7847 7.1547 7.1581 7.2027 7.2027 7.6194 7.6243 7.6435 7.6442 7.8827 7.8833 7.9025 7.9291 11.6689 11.6699 Writing output data file FeCuS2.save init_run : 1.40s CPU 0.78s WALL ( 1 calls) electrons : 605.98s CPU 459.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.11s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 605.97s CPU 459.71s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.49s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.69s CPU 0.64s WALL ( 294 calls) cegterg : 515.71s CPU 409.99s WALL ( 623 calls) Called by sum_band: Called by *egterg: h_psi : 384.42s CPU 250.83s WALL ( 10654 calls) s_psi : 30.83s CPU 25.48s WALL ( 10654 calls) g_psi : 0.41s CPU 0.42s WALL ( 9737 calls) cdiaghg : 138.52s CPU 135.67s WALL ( 10031 calls) cegterg:over : 14.42s CPU 14.35s WALL ( 9737 calls) cegterg:upda : 12.91s CPU 13.27s WALL ( 9737 calls) cegterg:last : 4.91s CPU 4.95s WALL ( 1211 calls) cdiaghg:chol : 7.97s CPU 7.88s WALL ( 10031 calls) cdiaghg:inve : 5.56s CPU 5.56s WALL ( 10031 calls) cdiaghg:para : 9.12s CPU 9.41s WALL ( 20062 calls) Called by h_psi: h_psi:vloc : 333.26s CPU 209.17s WALL ( 10654 calls) h_psi:vnl : 50.64s CPU 41.18s WALL ( 10654 calls) add_vuspsi : 30.00s CPU 23.85s WALL ( 10654 calls) General routines calbec : 20.57s CPU 17.30s WALL ( 10654 calls) fft : 0.13s CPU 0.07s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 320.24s CPU 198.63s WALL ( 1147296 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.28s CPU 1.40s WALL ( 588 calls) Parallel routines fft_scatter : 96.00s CPU 75.11s WALL ( 1147319 calls) PWSCF : 10m30.59s CPU 8m17.85s WALL This run was terminated on: 3: 2: 1 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=