Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:51:43 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), running on 36 processors 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: ./LiScO2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 89 89 25 2161 2161 318 Max 90 90 26 2162 2162 320 Sum 3233 3233 901 77817 77817 11483 bravais-lattice index = 14 lattice parameter (alat) = 10.4279 a.u. unit-cell volume = 549.8665 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.427939 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.712830 celldm(5)= -0.712830 celldm(6)= 0.425660 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.425660 0.904883 0.000000 ) a(3) = ( -0.712830 -0.452441 0.535882 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.470404 0.933041 ) b(2) = ( 0.000000 1.105115 0.933041 ) b(3) = ( 0.000000 0.000000 1.866082 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) Sc 11.00 44.95590 Sc( 1.00) 4 Sym. Ops., with inversion, found ( 3 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.2871698 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4524415 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.2128302 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4524415 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 353 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0000000 0.0000000 0.0172785), wk = 0.0028329 k( 3) = ( 0.0000000 0.0000000 0.0345571), wk = 0.0028329 k( 4) = ( 0.0000000 0.0000000 0.0518356), wk = 0.0028329 k( 5) = ( 0.0000000 0.0000000 0.0691141), wk = 0.0028329 k( 6) = ( 0.0000000 0.0000000 0.0863927), wk = 0.0028329 k( 7) = ( 0.0000000 0.0000000 0.1036712), wk = 0.0028329 k( 8) = ( 0.0000000 0.0000000 0.1209497), wk = 0.0028329 k( 9) = ( 0.0000000 0.0000000 0.1382283), wk = 0.0028329 k( 10) = ( 0.0000000 0.0000000 0.1555068), wk = 0.0028329 k( 11) = ( 0.0000000 0.0000000 0.1727853), wk = 0.0028329 k( 12) = ( 0.0000000 0.0000000 0.1900639), wk = 0.0028329 k( 13) = ( 0.0000000 0.0000000 0.2073424), wk = 0.0028329 k( 14) = ( 0.0000000 0.0000000 0.2246209), wk = 0.0028329 k( 15) = ( 0.0000000 0.0000000 0.2418995), wk = 0.0028329 k( 16) = ( 0.0000000 0.0000000 0.2591780), wk = 0.0028329 k( 17) = ( 0.0000000 0.0000000 0.2764565), wk = 0.0028329 k( 18) = ( 0.0000000 0.0000000 0.2937351), wk = 0.0028329 k( 19) = ( 0.0000000 0.0000000 0.3110136), wk = 0.0028329 k( 20) = ( 0.0000000 0.0000000 0.3282921), wk = 0.0028329 k( 21) = ( 0.0000000 0.0000000 0.3455707), wk = 0.0028329 k( 22) = ( 0.0000000 0.0000000 0.3628492), wk = 0.0028329 k( 23) = ( 0.0000000 0.0000000 0.3801277), wk = 0.0028329 k( 24) = ( 0.0000000 0.0000000 0.3974063), wk = 0.0028329 k( 25) = ( 0.0000000 0.0000000 0.4146848), wk = 0.0028329 k( 26) = ( 0.0000000 0.0000000 0.4319633), wk = 0.0028329 k( 27) = ( 0.0000000 0.0000000 0.4492419), wk = 0.0028329 k( 28) = ( 0.0000000 0.0000000 0.4665204), wk = 0.0028329 k( 29) = ( 0.0000000 0.0000000 0.4837989), wk = 0.0028329 k( 30) = ( 0.0000000 0.0000000 0.5010775), wk = 0.0028329 k( 31) = ( 0.0000000 0.0000000 0.5183560), wk = 0.0028329 k( 32) = ( 0.0000000 0.0000000 0.5356345), wk = 0.0028329 k( 33) = ( 0.0000000 0.0000000 0.5529131), wk = 0.0028329 k( 34) = ( 0.0000000 0.0000000 0.5701916), wk = 0.0028329 k( 35) = ( 0.0000000 0.0000000 0.5874701), wk = 0.0028329 k( 36) = ( 0.0000000 0.0000000 0.6047487), wk = 0.0028329 k( 37) = ( 0.0000000 0.0000000 0.6220272), wk = 0.0028329 k( 38) = ( 0.0000000 0.0000000 0.6393057), wk = 0.0028329 k( 39) = ( 0.0000000 0.0000000 0.6565843), wk = 0.0028329 k( 40) = ( 0.0000000 0.0000000 0.6738628), wk = 0.0028329 k( 41) = ( 0.0000000 0.0000000 0.6911413), wk = 0.0028329 k( 42) = ( 0.0000000 0.0000000 0.7084199), wk = 0.0028329 k( 43) = ( 0.0000000 0.0000000 0.7256984), wk = 0.0028329 k( 44) = ( 0.0000000 0.0000000 0.7429769), wk = 0.0028329 k( 45) = ( 0.0000000 0.0000000 0.7602555), wk = 0.0028329 k( 46) = ( 0.0000000 0.0000000 0.7775340), wk = 0.0028329 k( 47) = ( 0.0000000 0.0000000 0.7948125), wk = 0.0028329 k( 48) = ( 0.0000000 0.0000000 0.8120911), wk = 0.0028329 k( 49) = ( 0.0000000 0.0000000 0.8293696), wk = 0.0028329 k( 50) = ( 0.0000000 0.0000000 0.8466481), wk = 0.0028329 k( 51) = ( 0.0000000 0.0000000 0.8639267), wk = 0.0028329 k( 52) = ( 0.0000000 0.0000000 0.8812052), wk = 0.0028329 k( 53) = ( 0.0000000 0.0000000 0.8984837), wk = 0.0028329 k( 54) = ( 0.0000000 0.0000000 0.9157623), wk = 0.0028329 k( 55) = ( 0.0000000 0.0000000 0.9330408), wk = 0.0028329 k( 56) = ( 0.0000000 0.0000000 0.9330408), wk = 0.0028329 k( 57) = ( -0.0091559 0.0144253 0.9330408), wk = 0.0028329 k( 58) = ( -0.0183118 0.0288505 0.9330408), wk = 0.0028329 k( 59) = ( -0.0274676 0.0432758 0.9330408), wk = 0.0028329 k( 60) = ( -0.0366235 0.0577010 0.9330408), wk = 0.0028329 k( 61) = ( -0.0457794 0.0721263 0.9330408), wk = 0.0028329 k( 62) = ( -0.0549353 0.0865516 0.9330408), wk = 0.0028329 k( 63) = ( -0.0640911 0.1009768 0.9330408), wk = 0.0028329 k( 64) = ( -0.0732470 0.1154021 0.9330408), wk = 0.0028329 k( 65) = ( -0.0824029 0.1298273 0.9330408), wk = 0.0028329 k( 66) = ( -0.0915588 0.1442526 0.9330408), wk = 0.0028329 k( 67) = ( -0.1007147 0.1586779 0.9330408), wk = 0.0028329 k( 68) = ( -0.1007147 0.1586779 0.9330408), wk = 0.0028329 k( 69) = ( -0.1073694 0.1691626 0.9206225), wk = 0.0028329 k( 70) = ( -0.1140242 0.1796472 0.9082042), wk = 0.0028329 k( 71) = ( -0.1206789 0.1901319 0.8957858), wk = 0.0028329 k( 72) = ( -0.1273337 0.2006166 0.8833675), wk = 0.0028329 k( 73) = ( -0.1339884 0.2111013 0.8709492), wk = 0.0028329 k( 74) = ( -0.1406432 0.2215860 0.8585309), wk = 0.0028329 k( 75) = ( -0.1472979 0.2320707 0.8461126), wk = 0.0028329 k( 76) = ( -0.1539527 0.2425554 0.8336943), wk = 0.0028329 k( 77) = ( -0.1606075 0.2530401 0.8212759), wk = 0.0028329 k( 78) = ( -0.1672622 0.2635248 0.8088576), wk = 0.0028329 k( 79) = ( -0.1739170 0.2740095 0.7964393), wk = 0.0028329 k( 80) = ( -0.1805717 0.2844942 0.7840210), wk = 0.0028329 k( 81) = ( -0.1872265 0.2949789 0.7716027), wk = 0.0028329 k( 82) = ( -0.1938812 0.3054636 0.7591844), wk = 0.0028329 k( 83) = ( -0.2005360 0.3159483 0.7467660), wk = 0.0028329 k( 84) = ( -0.2071907 0.3264330 0.7343477), wk = 0.0028329 k( 85) = ( -0.2138455 0.3369177 0.7219294), wk = 0.0028329 k( 86) = ( -0.2205003 0.3474024 0.7095111), wk = 0.0028329 k( 87) = ( -0.2271550 0.3578871 0.6970928), wk = 0.0028329 k( 88) = ( -0.2338098 0.3683718 0.6846744), wk = 0.0028329 k( 89) = ( -0.2404645 0.3788565 0.6722561), wk = 0.0028329 k( 90) = ( -0.2471193 0.3893412 0.6598378), wk = 0.0028329 k( 91) = ( -0.2537740 0.3998258 0.6474195), wk = 0.0028329 k( 92) = ( -0.2604288 0.4103105 0.6350012), wk = 0.0028329 k( 93) = ( -0.2670836 0.4207952 0.6225829), wk = 0.0028329 k( 94) = ( -0.2737383 0.4312799 0.6101645), wk = 0.0028329 k( 95) = ( -0.2803931 0.4417646 0.5977462), wk = 0.0028329 k( 96) = ( -0.2870478 0.4522493 0.5853279), wk = 0.0028329 k( 97) = ( -0.2937026 0.4627340 0.5729096), wk = 0.0028329 k( 98) = ( -0.3003573 0.4732187 0.5604913), wk = 0.0028329 k( 99) = ( -0.3003573 0.4732187 0.5604913), wk = 0.0028329 k( 100) = ( -0.2938278 0.4629314 0.5483067), wk = 0.0028329 k( 101) = ( -0.2872983 0.4526440 0.5361221), wk = 0.0028329 k( 102) = ( -0.2807688 0.4423566 0.5239375), wk = 0.0028329 k( 103) = ( -0.2742393 0.4320693 0.5117529), wk = 0.0028329 k( 104) = ( -0.2677098 0.4217819 0.4995683), wk = 0.0028329 k( 105) = ( -0.2611803 0.4114945 0.4873837), wk = 0.0028329 k( 106) = ( -0.2546508 0.4012072 0.4751991), wk = 0.0028329 k( 107) = ( -0.2481213 0.3909198 0.4630145), wk = 0.0028329 k( 108) = ( -0.2415918 0.3806324 0.4508299), wk = 0.0028329 k( 109) = ( -0.2350623 0.3703451 0.4386453), wk = 0.0028329 k( 110) = ( -0.2285328 0.3600577 0.4264608), wk = 0.0028329 k( 111) = ( -0.2220032 0.3497704 0.4142762), wk = 0.0028329 k( 112) = ( -0.2154737 0.3394830 0.4020916), wk = 0.0028329 k( 113) = ( -0.2089442 0.3291956 0.3899070), wk = 0.0028329 k( 114) = ( -0.2024147 0.3189083 0.3777224), wk = 0.0028329 k( 115) = ( -0.1958852 0.3086209 0.3655378), wk = 0.0028329 k( 116) = ( -0.1893557 0.2983335 0.3533532), wk = 0.0028329 k( 117) = ( -0.1828262 0.2880462 0.3411686), wk = 0.0028329 k( 118) = ( -0.1762967 0.2777588 0.3289840), wk = 0.0028329 k( 119) = ( -0.1697672 0.2674714 0.3167994), wk = 0.0028329 k( 120) = ( -0.1632377 0.2571841 0.3046148), wk = 0.0028329 k( 121) = ( -0.1567082 0.2468967 0.2924302), wk = 0.0028329 k( 122) = ( -0.1501787 0.2366094 0.2802456), wk = 0.0028329 k( 123) = ( -0.1436492 0.2263220 0.2680611), wk = 0.0028329 k( 124) = ( -0.1371197 0.2160346 0.2558765), wk = 0.0028329 k( 125) = ( -0.1305901 0.2057473 0.2436919), wk = 0.0028329 k( 126) = ( -0.1240606 0.1954599 0.2315073), wk = 0.0028329 k( 127) = ( -0.1175311 0.1851725 0.2193227), wk = 0.0028329 k( 128) = ( -0.1110016 0.1748852 0.2071381), wk = 0.0028329 k( 129) = ( -0.1044721 0.1645978 0.1949535), wk = 0.0028329 k( 130) = ( -0.0979426 0.1543105 0.1827689), wk = 0.0028329 k( 131) = ( -0.0914131 0.1440231 0.1705843), wk = 0.0028329 k( 132) = ( -0.0848836 0.1337357 0.1583997), wk = 0.0028329 k( 133) = ( -0.0783541 0.1234484 0.1462151), wk = 0.0028329 k( 134) = ( -0.0718246 0.1131610 0.1340305), wk = 0.0028329 k( 135) = ( -0.0652951 0.1028736 0.1218459), wk = 0.0028329 k( 136) = ( -0.0587656 0.0925863 0.1096613), wk = 0.0028329 k( 137) = ( -0.0522361 0.0822989 0.0974768), wk = 0.0028329 k( 138) = ( -0.0457065 0.0720115 0.0852922), wk = 0.0028329 k( 139) = ( -0.0391770 0.0617242 0.0731076), wk = 0.0028329 k( 140) = ( -0.0326475 0.0514368 0.0609230), wk = 0.0028329 k( 141) = ( -0.0261180 0.0411495 0.0487384), wk = 0.0028329 k( 142) = ( -0.0195885 0.0308621 0.0365538), wk = 0.0028329 k( 143) = ( -0.0130590 0.0205747 0.0243692), wk = 0.0028329 k( 144) = ( -0.0065295 0.0102874 0.0121846), wk = 0.0028329 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 147) = ( 0.0147059 0.0093340 -0.0000000), wk = 0.0028329 k( 148) = ( 0.0294118 0.0186680 -0.0000000), wk = 0.0028329 k( 149) = ( 0.0441177 0.0280020 -0.0000000), wk = 0.0028329 k( 150) = ( 0.0588235 0.0373360 -0.0000000), wk = 0.0028329 k( 151) = ( 0.0735294 0.0466700 -0.0000000), wk = 0.0028329 k( 152) = ( 0.0882353 0.0560039 -0.0000000), wk = 0.0028329 k( 153) = ( 0.1029412 0.0653379 -0.0000000), wk = 0.0028329 k( 154) = ( 0.1176471 0.0746719 -0.0000000), wk = 0.0028329 k( 155) = ( 0.1323529 0.0840059 -0.0000000), wk = 0.0028329 k( 156) = ( 0.1470588 0.0933399 -0.0000000), wk = 0.0028329 k( 157) = ( 0.1617647 0.1026739 -0.0000000), wk = 0.0028329 k( 158) = ( 0.1764706 0.1120079 -0.0000000), wk = 0.0028329 k( 159) = ( 0.1911765 0.1213419 -0.0000000), wk = 0.0028329 k( 160) = ( 0.2058823 0.1306759 -0.0000000), wk = 0.0028329 k( 161) = ( 0.2205882 0.1400099 -0.0000000), wk = 0.0028329 k( 162) = ( 0.2352941 0.1493439 -0.0000000), wk = 0.0028329 k( 163) = ( 0.2500000 0.1586779 -0.0000000), wk = 0.0028329 k( 164) = ( 0.2647059 0.1680118 -0.0000000), wk = 0.0028329 k( 165) = ( 0.2794118 0.1773458 -0.0000000), wk = 0.0028329 k( 166) = ( 0.2941177 0.1866798 -0.0000000), wk = 0.0028329 k( 167) = ( 0.3088235 0.1960138 -0.0000000), wk = 0.0028329 k( 168) = ( 0.3235294 0.2053478 -0.0000000), wk = 0.0028329 k( 169) = ( 0.3382353 0.2146818 -0.0000000), wk = 0.0028329 k( 170) = ( 0.3529412 0.2240158 -0.0000000), wk = 0.0028329 k( 171) = ( 0.3676471 0.2333498 -0.0000000), wk = 0.0028329 k( 172) = ( 0.3823529 0.2426838 -0.0000000), wk = 0.0028329 k( 173) = ( 0.3970588 0.2520178 -0.0000000), wk = 0.0028329 k( 174) = ( 0.4117647 0.2613518 -0.0000000), wk = 0.0028329 k( 175) = ( 0.4264706 0.2706858 -0.0000000), wk = 0.0028329 k( 176) = ( 0.4411765 0.2800197 -0.0000000), wk = 0.0028329 k( 177) = ( 0.4558823 0.2893537 -0.0000000), wk = 0.0028329 k( 178) = ( 0.4705882 0.2986877 -0.0000000), wk = 0.0028329 k( 179) = ( 0.4852941 0.3080217 -0.0000000), wk = 0.0028329 k( 180) = ( 0.5000000 0.3173557 -0.0000000), wk = 0.0028329 k( 181) = ( 0.5000000 0.3173557 -0.0000000), wk = 0.0028329 k( 182) = ( 0.4933452 0.3278404 0.0124183), wk = 0.0028329 k( 183) = ( 0.4866905 0.3383251 0.0248366), wk = 0.0028329 k( 184) = ( 0.4800357 0.3488098 0.0372550), wk = 0.0028329 k( 185) = ( 0.4733810 0.3592945 0.0496733), wk = 0.0028329 k( 186) = ( 0.4667262 0.3697792 0.0620916), wk = 0.0028329 k( 187) = ( 0.4600715 0.3802639 0.0745099), wk = 0.0028329 k( 188) = ( 0.4534167 0.3907486 0.0869282), wk = 0.0028329 k( 189) = ( 0.4467620 0.4012333 0.0993465), wk = 0.0028329 k( 190) = ( 0.4401072 0.4117180 0.1117649), wk = 0.0028329 k( 191) = ( 0.4334524 0.4222027 0.1241832), wk = 0.0028329 k( 192) = ( 0.4267977 0.4326874 0.1366015), wk = 0.0028329 k( 193) = ( 0.4201429 0.4431721 0.1490198), wk = 0.0028329 k( 194) = ( 0.4134882 0.4536568 0.1614381), wk = 0.0028329 k( 195) = ( 0.4068334 0.4641414 0.1738564), wk = 0.0028329 k( 196) = ( 0.4001787 0.4746261 0.1862748), wk = 0.0028329 k( 197) = ( 0.3935239 0.4851108 0.1986931), wk = 0.0028329 k( 198) = ( 0.3868691 0.4955955 0.2111114), wk = 0.0028329 k( 199) = ( 0.3802144 0.5060802 0.2235297), wk = 0.0028329 k( 200) = ( 0.3735596 0.5165649 0.2359480), wk = 0.0028329 k( 201) = ( 0.3669049 0.5270496 0.2483664), wk = 0.0028329 k( 202) = ( 0.3602501 0.5375343 0.2607847), wk = 0.0028329 k( 203) = ( 0.3535954 0.5480190 0.2732030), wk = 0.0028329 k( 204) = ( 0.3469406 0.5585037 0.2856213), wk = 0.0028329 k( 205) = ( 0.3402859 0.5689884 0.2980396), wk = 0.0028329 k( 206) = ( 0.3336311 0.5794731 0.3104579), wk = 0.0028329 k( 207) = ( 0.3269764 0.5899578 0.3228762), wk = 0.0028329 k( 208) = ( 0.3203216 0.6004425 0.3352946), wk = 0.0028329 k( 209) = ( 0.3136668 0.6109272 0.3477129), wk = 0.0028329 k( 210) = ( 0.3070121 0.6214119 0.3601312), wk = 0.0028329 k( 211) = ( 0.3003573 0.6318966 0.3725495), wk = 0.0028329 k( 212) = ( 0.3003573 0.6318966 0.3725495), wk = 0.0028329 k( 213) = ( 0.2845490 0.6277208 0.3774954), wk = 0.0028329 k( 214) = ( 0.2687408 0.6235451 0.3824412), wk = 0.0028329 k( 215) = ( 0.2529325 0.6193694 0.3873870), wk = 0.0028329 k( 216) = ( 0.2371242 0.6151936 0.3923329), wk = 0.0028329 k( 217) = ( 0.2213159 0.6110179 0.3972787), wk = 0.0028329 k( 218) = ( 0.2055076 0.6068422 0.4022245), wk = 0.0028329 k( 219) = ( 0.1896994 0.6026664 0.4071704), wk = 0.0028329 k( 220) = ( 0.1738911 0.5984907 0.4121162), wk = 0.0028329 k( 221) = ( 0.1580828 0.5943150 0.4170620), wk = 0.0028329 k( 222) = ( 0.1422745 0.5901392 0.4220079), wk = 0.0028329 k( 223) = ( 0.1264662 0.5859635 0.4269537), wk = 0.0028329 k( 224) = ( 0.1106580 0.5817878 0.4318995), wk = 0.0028329 k( 225) = ( 0.0948497 0.5776120 0.4368454), wk = 0.0028329 k( 226) = ( 0.0790414 0.5734363 0.4417912), wk = 0.0028329 k( 227) = ( 0.0632331 0.5692606 0.4467371), wk = 0.0028329 k( 228) = ( 0.0474248 0.5650848 0.4516829), wk = 0.0028329 k( 229) = ( 0.0316166 0.5609091 0.4566287), wk = 0.0028329 k( 230) = ( 0.0158083 0.5567334 0.4615746), wk = 0.0028329 k( 231) = ( 0.0000000 0.5525576 0.4665204), wk = 0.0028329 k( 232) = ( 0.0000000 0.5525576 0.4665204), wk = 0.0028329 k( 233) = ( 0.0065790 0.5421924 0.4787973), wk = 0.0028329 k( 234) = ( 0.0131579 0.5318271 0.4910741), wk = 0.0028329 k( 235) = ( 0.0197368 0.5214619 0.5033510), wk = 0.0028329 k( 236) = ( 0.0263158 0.5110966 0.5156278), wk = 0.0028329 k( 237) = ( 0.0328947 0.5007313 0.5279047), wk = 0.0028329 k( 238) = ( 0.0394737 0.4903661 0.5401815), wk = 0.0028329 k( 239) = ( 0.0460526 0.4800008 0.5524584), wk = 0.0028329 k( 240) = ( 0.0526316 0.4696356 0.5647352), wk = 0.0028329 k( 241) = ( 0.0592105 0.4592703 0.5770121), wk = 0.0028329 k( 242) = ( 0.0657895 0.4489051 0.5892889), wk = 0.0028329 k( 243) = ( 0.0723684 0.4385398 0.6015658), wk = 0.0028329 k( 244) = ( 0.0789474 0.4281745 0.6138426), wk = 0.0028329 k( 245) = ( 0.0855263 0.4178093 0.6261195), wk = 0.0028329 k( 246) = ( 0.0921053 0.4074440 0.6383963), wk = 0.0028329 k( 247) = ( 0.0986842 0.3970788 0.6506732), wk = 0.0028329 k( 248) = ( 0.1052632 0.3867135 0.6629500), wk = 0.0028329 k( 249) = ( 0.1118421 0.3763483 0.6752269), wk = 0.0028329 k( 250) = ( 0.1184210 0.3659830 0.6875037), wk = 0.0028329 k( 251) = ( 0.1250000 0.3556177 0.6997806), wk = 0.0028329 k( 252) = ( 0.1315790 0.3452525 0.7120575), wk = 0.0028329 k( 253) = ( 0.1381579 0.3348872 0.7243343), wk = 0.0028329 k( 254) = ( 0.1447368 0.3245220 0.7366112), wk = 0.0028329 k( 255) = ( 0.1513158 0.3141567 0.7488880), wk = 0.0028329 k( 256) = ( 0.1578947 0.3037915 0.7611649), wk = 0.0028329 k( 257) = ( 0.1644737 0.2934262 0.7734417), wk = 0.0028329 k( 258) = ( 0.1710526 0.2830609 0.7857186), wk = 0.0028329 k( 259) = ( 0.1776316 0.2726957 0.7979954), wk = 0.0028329 k( 260) = ( 0.1842105 0.2623304 0.8102723), wk = 0.0028329 k( 261) = ( 0.1907895 0.2519652 0.8225491), wk = 0.0028329 k( 262) = ( 0.1973684 0.2415999 0.8348260), wk = 0.0028329 k( 263) = ( 0.2039474 0.2312347 0.8471028), wk = 0.0028329 k( 264) = ( 0.2105263 0.2208694 0.8593797), wk = 0.0028329 k( 265) = ( 0.2171053 0.2105041 0.8716565), wk = 0.0028329 k( 266) = ( 0.2236842 0.2001389 0.8839334), wk = 0.0028329 k( 267) = ( 0.2302632 0.1897736 0.8962102), wk = 0.0028329 k( 268) = ( 0.2368421 0.1794084 0.9084871), wk = 0.0028329 k( 269) = ( 0.2434210 0.1690431 0.9207639), wk = 0.0028329 k( 270) = ( 0.2500000 0.1586779 0.9330408), wk = 0.0028329 k( 271) = ( 0.2500000 0.1586779 0.9330408), wk = 0.0028329 k( 272) = ( 0.2625000 0.1666118 0.9236437), wk = 0.0028329 k( 273) = ( 0.2750000 0.1745456 0.9142466), wk = 0.0028329 k( 274) = ( 0.2875000 0.1824795 0.9048495), wk = 0.0028329 k( 275) = ( 0.3000000 0.1904134 0.8954524), wk = 0.0028329 k( 276) = ( 0.3125000 0.1983473 0.8860554), wk = 0.0028329 k( 277) = ( 0.3250000 0.2062812 0.8766583), wk = 0.0028329 k( 278) = ( 0.3375000 0.2142151 0.8672612), wk = 0.0028329 k( 279) = ( 0.3500000 0.2221490 0.8578641), wk = 0.0028329 k( 280) = ( 0.3625000 0.2300829 0.8484670), wk = 0.0028329 k( 281) = ( 0.3750000 0.2380168 0.8390699), wk = 0.0028329 k( 282) = ( 0.3875000 0.2459507 0.8296728), wk = 0.0028329 k( 283) = ( 0.4000000 0.2538846 0.8202757), wk = 0.0028329 k( 284) = ( 0.4125000 0.2618185 0.8108787), wk = 0.0028329 k( 285) = ( 0.4250000 0.2697524 0.8014816), wk = 0.0028329 k( 286) = ( 0.4375000 0.2776863 0.7920845), wk = 0.0028329 k( 287) = ( 0.4500000 0.2856201 0.7826874), wk = 0.0028329 k( 288) = ( 0.4625000 0.2935540 0.7732903), wk = 0.0028329 k( 289) = ( 0.4750000 0.3014879 0.7638932), wk = 0.0028329 k( 290) = ( 0.4875000 0.3094218 0.7544961), wk = 0.0028329 k( 291) = ( 0.5000000 0.3173557 0.7450990), wk = 0.0028329 k( 292) = ( 0.5000000 0.3173557 0.7450990), wk = 0.0028329 k( 293) = ( 0.5000000 0.3173557 0.7277712), wk = 0.0028329 k( 294) = ( 0.5000000 0.3173557 0.7104433), wk = 0.0028329 k( 295) = ( 0.5000000 0.3173557 0.6931154), wk = 0.0028329 k( 296) = ( 0.5000000 0.3173557 0.6757875), wk = 0.0028329 k( 297) = ( 0.5000000 0.3173557 0.6584596), wk = 0.0028329 k( 298) = ( 0.5000000 0.3173557 0.6411317), wk = 0.0028329 k( 299) = ( 0.5000000 0.3173557 0.6238039), wk = 0.0028329 k( 300) = ( 0.5000000 0.3173557 0.6064760), wk = 0.0028329 k( 301) = ( 0.5000000 0.3173557 0.5891481), wk = 0.0028329 k( 302) = ( 0.5000000 0.3173557 0.5718202), wk = 0.0028329 k( 303) = ( 0.5000000 0.3173557 0.5544923), wk = 0.0028329 k( 304) = ( 0.5000000 0.3173557 0.5371644), wk = 0.0028329 k( 305) = ( 0.5000000 0.3173557 0.5198365), wk = 0.0028329 k( 306) = ( 0.5000000 0.3173557 0.5025087), wk = 0.0028329 k( 307) = ( 0.5000000 0.3173557 0.4851808), wk = 0.0028329 k( 308) = ( 0.5000000 0.3173557 0.4678529), wk = 0.0028329 k( 309) = ( 0.5000000 0.3173557 0.4505250), wk = 0.0028329 k( 310) = ( 0.5000000 0.3173557 0.4331971), wk = 0.0028329 k( 311) = ( 0.5000000 0.3173557 0.4158692), wk = 0.0028329 k( 312) = ( 0.5000000 0.3173557 0.3985413), wk = 0.0028329 k( 313) = ( 0.5000000 0.3173557 0.3812135), wk = 0.0028329 k( 314) = ( 0.5000000 0.3173557 0.3638856), wk = 0.0028329 k( 315) = ( 0.5000000 0.3173557 0.3465577), wk = 0.0028329 k( 316) = ( 0.5000000 0.3173557 0.3292298), wk = 0.0028329 k( 317) = ( 0.5000000 0.3173557 0.3119019), wk = 0.0028329 k( 318) = ( 0.5000000 0.3173557 0.2945740), wk = 0.0028329 k( 319) = ( 0.5000000 0.3173557 0.2772461), wk = 0.0028329 k( 320) = ( 0.5000000 0.3173557 0.2599183), wk = 0.0028329 k( 321) = ( 0.5000000 0.3173557 0.2425904), wk = 0.0028329 k( 322) = ( 0.5000000 0.3173557 0.2252625), wk = 0.0028329 k( 323) = ( 0.5000000 0.3173557 0.2079346), wk = 0.0028329 k( 324) = ( 0.5000000 0.3173557 0.1906067), wk = 0.0028329 k( 325) = ( 0.5000000 0.3173557 0.1732789), wk = 0.0028329 k( 326) = ( 0.5000000 0.3173557 0.1559510), wk = 0.0028329 k( 327) = ( 0.5000000 0.3173557 0.1386231), wk = 0.0028329 k( 328) = ( 0.5000000 0.3173557 0.1212952), wk = 0.0028329 k( 329) = ( 0.5000000 0.3173557 0.1039673), wk = 0.0028329 k( 330) = ( 0.5000000 0.3173557 0.0866394), wk = 0.0028329 k( 331) = ( 0.5000000 0.3173557 0.0693115), wk = 0.0028329 k( 332) = ( 0.5000000 0.3173557 0.0519837), wk = 0.0028329 k( 333) = ( 0.5000000 0.3173557 0.0346558), wk = 0.0028329 k( 334) = ( 0.5000000 0.3173557 0.0173279), wk = 0.0028329 k( 335) = ( 0.5000000 0.3173557 -0.0000000), wk = 0.0028329 k( 336) = ( 0.0000000 0.0000000 0.9330408), wk = 0.0028329 k( 337) = ( 0.0147059 0.0093340 0.9330408), wk = 0.0028329 k( 338) = ( 0.0294118 0.0186680 0.9330408), wk = 0.0028329 k( 339) = ( 0.0441177 0.0280020 0.9330408), wk = 0.0028329 k( 340) = ( 0.0588235 0.0373360 0.9330408), wk = 0.0028329 k( 341) = ( 0.0735294 0.0466700 0.9330408), wk = 0.0028329 k( 342) = ( 0.0882353 0.0560039 0.9330408), wk = 0.0028329 k( 343) = ( 0.1029412 0.0653379 0.9330408), wk = 0.0028329 k( 344) = ( 0.1176471 0.0746719 0.9330408), wk = 0.0028329 k( 345) = ( 0.1323529 0.0840059 0.9330408), wk = 0.0028329 k( 346) = ( 0.1470588 0.0933399 0.9330408), wk = 0.0028329 k( 347) = ( 0.1617647 0.1026739 0.9330408), wk = 0.0028329 k( 348) = ( 0.1764706 0.1120079 0.9330408), wk = 0.0028329 k( 349) = ( 0.1911765 0.1213419 0.9330408), wk = 0.0028329 k( 350) = ( 0.2058823 0.1306759 0.9330408), wk = 0.0028329 k( 351) = ( 0.2205882 0.1400099 0.9330408), wk = 0.0028329 k( 352) = ( 0.2352941 0.1493439 0.9330408), wk = 0.0028329 k( 353) = ( 0.2500000 0.1586779 0.9330408), wk = 0.0028329 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0028329 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0028329 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0028329 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0028329 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0028329 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028329 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0028329 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0028329 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028329 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0028329 k( 12) = ( 0.0000000 0.0000000 0.1018519), wk = 0.0028329 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028329 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0028329 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0028329 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0028329 k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0028329 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0028329 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028329 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0028329 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0028329 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0028329 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0028329 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0028329 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028329 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0028329 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0028329 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028329 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0028329 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0028329 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028329 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0028329 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0028329 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0028329 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0028329 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0028329 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028329 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0028329 k( 39) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0028329 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0028329 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0028329 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0028329 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028329 k( 44) = ( 0.0000000 0.0000000 0.3981482), wk = 0.0028329 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0028329 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028329 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0028329 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0028329 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028329 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0028329 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0028329 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0028329 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0028329 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0028329 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 57) = ( -0.0091559 0.0091559 0.5000000), wk = 0.0028329 k( 58) = ( -0.0183118 0.0183118 0.5000000), wk = 0.0028329 k( 59) = ( -0.0274676 0.0274676 0.5000000), wk = 0.0028329 k( 60) = ( -0.0366235 0.0366235 0.5000000), wk = 0.0028329 k( 61) = ( -0.0457794 0.0457794 0.5000000), wk = 0.0028329 k( 62) = ( -0.0549353 0.0549353 0.5000000), wk = 0.0028329 k( 63) = ( -0.0640911 0.0640911 0.5000000), wk = 0.0028329 k( 64) = ( -0.0732470 0.0732470 0.5000000), wk = 0.0028329 k( 65) = ( -0.0824029 0.0824029 0.5000000), wk = 0.0028329 k( 66) = ( -0.0915588 0.0915588 0.5000000), wk = 0.0028329 k( 67) = ( -0.1007147 0.1007147 0.5000000), wk = 0.0028329 k( 68) = ( -0.1007147 0.1007147 0.5000000), wk = 0.0028329 k( 69) = ( -0.1073694 0.1073694 0.4933452), wk = 0.0028329 k( 70) = ( -0.1140242 0.1140242 0.4866905), wk = 0.0028329 k( 71) = ( -0.1206789 0.1206789 0.4800357), wk = 0.0028329 k( 72) = ( -0.1273337 0.1273337 0.4733810), wk = 0.0028329 k( 73) = ( -0.1339884 0.1339884 0.4667262), wk = 0.0028329 k( 74) = ( -0.1406432 0.1406432 0.4600715), wk = 0.0028329 k( 75) = ( -0.1472979 0.1472979 0.4534167), wk = 0.0028329 k( 76) = ( -0.1539527 0.1539527 0.4467620), wk = 0.0028329 k( 77) = ( -0.1606075 0.1606075 0.4401072), wk = 0.0028329 k( 78) = ( -0.1672622 0.1672622 0.4334524), wk = 0.0028329 k( 79) = ( -0.1739170 0.1739170 0.4267977), wk = 0.0028329 k( 80) = ( -0.1805717 0.1805717 0.4201429), wk = 0.0028329 k( 81) = ( -0.1872265 0.1872265 0.4134882), wk = 0.0028329 k( 82) = ( -0.1938812 0.1938812 0.4068334), wk = 0.0028329 k( 83) = ( -0.2005360 0.2005360 0.4001787), wk = 0.0028329 k( 84) = ( -0.2071907 0.2071907 0.3935239), wk = 0.0028329 k( 85) = ( -0.2138455 0.2138455 0.3868691), wk = 0.0028329 k( 86) = ( -0.2205003 0.2205003 0.3802144), wk = 0.0028329 k( 87) = ( -0.2271550 0.2271550 0.3735596), wk = 0.0028329 k( 88) = ( -0.2338098 0.2338098 0.3669049), wk = 0.0028329 k( 89) = ( -0.2404645 0.2404645 0.3602501), wk = 0.0028329 k( 90) = ( -0.2471193 0.2471193 0.3535954), wk = 0.0028329 k( 91) = ( -0.2537740 0.2537740 0.3469406), wk = 0.0028329 k( 92) = ( -0.2604288 0.2604288 0.3402859), wk = 0.0028329 k( 93) = ( -0.2670836 0.2670836 0.3336311), wk = 0.0028329 k( 94) = ( -0.2737383 0.2737383 0.3269764), wk = 0.0028329 k( 95) = ( -0.2803931 0.2803931 0.3203216), wk = 0.0028329 k( 96) = ( -0.2870478 0.2870478 0.3136668), wk = 0.0028329 k( 97) = ( -0.2937026 0.2937026 0.3070121), wk = 0.0028329 k( 98) = ( -0.3003573 0.3003573 0.3003573), wk = 0.0028329 k( 99) = ( -0.3003573 0.3003573 0.3003573), wk = 0.0028329 k( 100) = ( -0.2938278 0.2938278 0.2938278), wk = 0.0028329 k( 101) = ( -0.2872983 0.2872983 0.2872983), wk = 0.0028329 k( 102) = ( -0.2807688 0.2807688 0.2807688), wk = 0.0028329 k( 103) = ( -0.2742393 0.2742393 0.2742393), wk = 0.0028329 k( 104) = ( -0.2677098 0.2677098 0.2677098), wk = 0.0028329 k( 105) = ( -0.2611803 0.2611803 0.2611803), wk = 0.0028329 k( 106) = ( -0.2546508 0.2546508 0.2546508), wk = 0.0028329 k( 107) = ( -0.2481213 0.2481213 0.2481213), wk = 0.0028329 k( 108) = ( -0.2415918 0.2415918 0.2415918), wk = 0.0028329 k( 109) = ( -0.2350623 0.2350623 0.2350622), wk = 0.0028329 k( 110) = ( -0.2285328 0.2285328 0.2285327), wk = 0.0028329 k( 111) = ( -0.2220032 0.2220032 0.2220032), wk = 0.0028329 k( 112) = ( -0.2154737 0.2154737 0.2154737), wk = 0.0028329 k( 113) = ( -0.2089442 0.2089442 0.2089442), wk = 0.0028329 k( 114) = ( -0.2024147 0.2024147 0.2024147), wk = 0.0028329 k( 115) = ( -0.1958852 0.1958852 0.1958852), wk = 0.0028329 k( 116) = ( -0.1893557 0.1893557 0.1893557), wk = 0.0028329 k( 117) = ( -0.1828262 0.1828262 0.1828262), wk = 0.0028329 k( 118) = ( -0.1762967 0.1762967 0.1762967), wk = 0.0028329 k( 119) = ( -0.1697672 0.1697672 0.1697672), wk = 0.0028329 k( 120) = ( -0.1632377 0.1632377 0.1632377), wk = 0.0028329 k( 121) = ( -0.1567082 0.1567082 0.1567082), wk = 0.0028329 k( 122) = ( -0.1501787 0.1501787 0.1501787), wk = 0.0028329 k( 123) = ( -0.1436492 0.1436492 0.1436492), wk = 0.0028329 k( 124) = ( -0.1371197 0.1371197 0.1371197), wk = 0.0028329 k( 125) = ( -0.1305901 0.1305901 0.1305901), wk = 0.0028329 k( 126) = ( -0.1240606 0.1240606 0.1240606), wk = 0.0028329 k( 127) = ( -0.1175311 0.1175311 0.1175311), wk = 0.0028329 k( 128) = ( -0.1110016 0.1110016 0.1110016), wk = 0.0028329 k( 129) = ( -0.1044721 0.1044721 0.1044721), wk = 0.0028329 k( 130) = ( -0.0979426 0.0979426 0.0979426), wk = 0.0028329 k( 131) = ( -0.0914131 0.0914131 0.0914131), wk = 0.0028329 k( 132) = ( -0.0848836 0.0848836 0.0848836), wk = 0.0028329 k( 133) = ( -0.0783541 0.0783541 0.0783541), wk = 0.0028329 k( 134) = ( -0.0718246 0.0718246 0.0718246), wk = 0.0028329 k( 135) = ( -0.0652951 0.0652951 0.0652951), wk = 0.0028329 k( 136) = ( -0.0587656 0.0587656 0.0587656), wk = 0.0028329 k( 137) = ( -0.0522361 0.0522361 0.0522361), wk = 0.0028329 k( 138) = ( -0.0457065 0.0457066 0.0457066), wk = 0.0028329 k( 139) = ( -0.0391770 0.0391770 0.0391770), wk = 0.0028329 k( 140) = ( -0.0326475 0.0326475 0.0326475), wk = 0.0028329 k( 141) = ( -0.0261180 0.0261180 0.0261180), wk = 0.0028329 k( 142) = ( -0.0195885 0.0195885 0.0195885), wk = 0.0028329 k( 143) = ( -0.0130590 0.0130590 0.0130590), wk = 0.0028329 k( 144) = ( -0.0065295 0.0065295 0.0065295), wk = 0.0028329 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 147) = ( 0.0147059 0.0147059 -0.0147059), wk = 0.0028329 k( 148) = ( 0.0294118 0.0294118 -0.0294118), wk = 0.0028329 k( 149) = ( 0.0441177 0.0441177 -0.0441177), wk = 0.0028329 k( 150) = ( 0.0588235 0.0588235 -0.0588235), wk = 0.0028329 k( 151) = ( 0.0735294 0.0735294 -0.0735294), wk = 0.0028329 k( 152) = ( 0.0882353 0.0882353 -0.0882353), wk = 0.0028329 k( 153) = ( 0.1029412 0.1029412 -0.1029412), wk = 0.0028329 k( 154) = ( 0.1176471 0.1176471 -0.1176471), wk = 0.0028329 k( 155) = ( 0.1323529 0.1323529 -0.1323529), wk = 0.0028329 k( 156) = ( 0.1470588 0.1470588 -0.1470588), wk = 0.0028329 k( 157) = ( 0.1617647 0.1617647 -0.1617647), wk = 0.0028329 k( 158) = ( 0.1764706 0.1764706 -0.1764706), wk = 0.0028329 k( 159) = ( 0.1911765 0.1911765 -0.1911765), wk = 0.0028329 k( 160) = ( 0.2058823 0.2058824 -0.2058823), wk = 0.0028329 k( 161) = ( 0.2205882 0.2205882 -0.2205882), wk = 0.0028329 k( 162) = ( 0.2352941 0.2352941 -0.2352941), wk = 0.0028329 k( 163) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028329 k( 164) = ( 0.2647059 0.2647059 -0.2647059), wk = 0.0028329 k( 165) = ( 0.2794118 0.2794118 -0.2794118), wk = 0.0028329 k( 166) = ( 0.2941177 0.2941177 -0.2941177), wk = 0.0028329 k( 167) = ( 0.3088235 0.3088235 -0.3088235), wk = 0.0028329 k( 168) = ( 0.3235294 0.3235294 -0.3235294), wk = 0.0028329 k( 169) = ( 0.3382353 0.3382353 -0.3382353), wk = 0.0028329 k( 170) = ( 0.3529412 0.3529412 -0.3529412), wk = 0.0028329 k( 171) = ( 0.3676471 0.3676471 -0.3676471), wk = 0.0028329 k( 172) = ( 0.3823529 0.3823529 -0.3823529), wk = 0.0028329 k( 173) = ( 0.3970588 0.3970588 -0.3970588), wk = 0.0028329 k( 174) = ( 0.4117647 0.4117647 -0.4117647), wk = 0.0028329 k( 175) = ( 0.4264706 0.4264706 -0.4264706), wk = 0.0028329 k( 176) = ( 0.4411765 0.4411765 -0.4411765), wk = 0.0028329 k( 177) = ( 0.4558823 0.4558823 -0.4558823), wk = 0.0028329 k( 178) = ( 0.4705882 0.4705882 -0.4705882), wk = 0.0028329 k( 179) = ( 0.4852941 0.4852941 -0.4852941), wk = 0.0028329 k( 180) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028329 k( 181) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028329 k( 182) = ( 0.4933452 0.5066548 -0.4933452), wk = 0.0028329 k( 183) = ( 0.4866905 0.5133095 -0.4866905), wk = 0.0028329 k( 184) = ( 0.4800357 0.5199643 -0.4800357), wk = 0.0028329 k( 185) = ( 0.4733810 0.5266190 -0.4733810), wk = 0.0028329 k( 186) = ( 0.4667262 0.5332738 -0.4667262), wk = 0.0028329 k( 187) = ( 0.4600715 0.5399285 -0.4600715), wk = 0.0028329 k( 188) = ( 0.4534167 0.5465833 -0.4534167), wk = 0.0028329 k( 189) = ( 0.4467620 0.5532381 -0.4467620), wk = 0.0028329 k( 190) = ( 0.4401072 0.5598928 -0.4401072), wk = 0.0028329 k( 191) = ( 0.4334524 0.5665476 -0.4334524), wk = 0.0028329 k( 192) = ( 0.4267977 0.5732023 -0.4267977), wk = 0.0028329 k( 193) = ( 0.4201429 0.5798571 -0.4201429), wk = 0.0028329 k( 194) = ( 0.4134882 0.5865118 -0.4134882), wk = 0.0028329 k( 195) = ( 0.4068334 0.5931666 -0.4068334), wk = 0.0028329 k( 196) = ( 0.4001787 0.5998213 -0.4001787), wk = 0.0028329 k( 197) = ( 0.3935239 0.6064761 -0.3935239), wk = 0.0028329 k( 198) = ( 0.3868691 0.6131309 -0.3868691), wk = 0.0028329 k( 199) = ( 0.3802144 0.6197856 -0.3802144), wk = 0.0028329 k( 200) = ( 0.3735596 0.6264404 -0.3735596), wk = 0.0028329 k( 201) = ( 0.3669049 0.6330951 -0.3669049), wk = 0.0028329 k( 202) = ( 0.3602501 0.6397499 -0.3602501), wk = 0.0028329 k( 203) = ( 0.3535954 0.6464046 -0.3535954), wk = 0.0028329 k( 204) = ( 0.3469406 0.6530594 -0.3469406), wk = 0.0028329 k( 205) = ( 0.3402859 0.6597141 -0.3402859), wk = 0.0028329 k( 206) = ( 0.3336311 0.6663689 -0.3336311), wk = 0.0028329 k( 207) = ( 0.3269764 0.6730237 -0.3269764), wk = 0.0028329 k( 208) = ( 0.3203216 0.6796784 -0.3203216), wk = 0.0028329 k( 209) = ( 0.3136668 0.6863332 -0.3136668), wk = 0.0028329 k( 210) = ( 0.3070121 0.6929879 -0.3070121), wk = 0.0028329 k( 211) = ( 0.3003573 0.6996427 -0.3003573), wk = 0.0028329 k( 212) = ( 0.3003573 0.6996427 -0.3003573), wk = 0.0028329 k( 213) = ( 0.2845490 0.6891352 -0.2845490), wk = 0.0028329 k( 214) = ( 0.2687408 0.6786277 -0.2687408), wk = 0.0028329 k( 215) = ( 0.2529325 0.6681202 -0.2529325), wk = 0.0028329 k( 216) = ( 0.2371242 0.6576126 -0.2371242), wk = 0.0028329 k( 217) = ( 0.2213159 0.6471051 -0.2213159), wk = 0.0028329 k( 218) = ( 0.2055076 0.6365976 -0.2055076), wk = 0.0028329 k( 219) = ( 0.1896994 0.6260901 -0.1896994), wk = 0.0028329 k( 220) = ( 0.1738911 0.6155826 -0.1738911), wk = 0.0028329 k( 221) = ( 0.1580828 0.6050751 -0.1580828), wk = 0.0028329 k( 222) = ( 0.1422745 0.5945676 -0.1422745), wk = 0.0028329 k( 223) = ( 0.1264662 0.5840601 -0.1264662), wk = 0.0028329 k( 224) = ( 0.1106580 0.5735526 -0.1106580), wk = 0.0028329 k( 225) = ( 0.0948497 0.5630451 -0.0948497), wk = 0.0028329 k( 226) = ( 0.0790414 0.5525376 -0.0790414), wk = 0.0028329 k( 227) = ( 0.0632331 0.5420300 -0.0632331), wk = 0.0028329 k( 228) = ( 0.0474248 0.5315225 -0.0474248), wk = 0.0028329 k( 229) = ( 0.0316166 0.5210150 -0.0316166), wk = 0.0028329 k( 230) = ( 0.0158083 0.5105075 -0.0158083), wk = 0.0028329 k( 231) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028329 k( 232) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028329 k( 233) = ( 0.0065790 0.4934211 0.0065789), wk = 0.0028329 k( 234) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0028329 k( 235) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0028329 k( 236) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0028329 k( 237) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0028329 k( 238) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0028329 k( 239) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0028329 k( 240) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0028329 k( 241) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0028329 k( 242) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0028329 k( 243) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0028329 k( 244) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0028329 k( 245) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0028329 k( 246) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0028329 k( 247) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0028329 k( 248) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0028329 k( 249) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0028329 k( 250) = ( 0.1184210 0.3815789 0.1184210), wk = 0.0028329 k( 251) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028329 k( 252) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0028329 k( 253) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0028329 k( 254) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0028329 k( 255) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0028329 k( 256) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0028329 k( 257) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0028329 k( 258) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0028329 k( 259) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0028329 k( 260) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0028329 k( 261) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0028329 k( 262) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0028329 k( 263) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0028329 k( 264) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0028329 k( 265) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0028329 k( 266) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0028329 k( 267) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0028329 k( 268) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0028329 k( 269) = ( 0.2434210 0.2565790 0.2434210), wk = 0.0028329 k( 270) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028329 k( 271) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028329 k( 272) = ( 0.2625000 0.2625000 0.2324643), wk = 0.0028329 k( 273) = ( 0.2750000 0.2750000 0.2149285), wk = 0.0028329 k( 274) = ( 0.2875000 0.2875000 0.1973928), wk = 0.0028329 k( 275) = ( 0.3000000 0.3000000 0.1798571), wk = 0.0028329 k( 276) = ( 0.3125000 0.3125000 0.1623213), wk = 0.0028329 k( 277) = ( 0.3250000 0.3250000 0.1447856), wk = 0.0028329 k( 278) = ( 0.3375000 0.3375000 0.1272499), wk = 0.0028329 k( 279) = ( 0.3500000 0.3500000 0.1097141), wk = 0.0028329 k( 280) = ( 0.3625000 0.3625000 0.0921784), wk = 0.0028329 k( 281) = ( 0.3750000 0.3750000 0.0746427), wk = 0.0028329 k( 282) = ( 0.3875000 0.3875000 0.0571069), wk = 0.0028329 k( 283) = ( 0.4000000 0.4000000 0.0395712), wk = 0.0028329 k( 284) = ( 0.4125000 0.4125000 0.0220355), wk = 0.0028329 k( 285) = ( 0.4250000 0.4250000 0.0044997), wk = 0.0028329 k( 286) = ( 0.4375000 0.4375000 -0.0130360), wk = 0.0028329 k( 287) = ( 0.4500000 0.4500000 -0.0305717), wk = 0.0028329 k( 288) = ( 0.4625000 0.4625000 -0.0481075), wk = 0.0028329 k( 289) = ( 0.4750000 0.4750000 -0.0656432), wk = 0.0028329 k( 290) = ( 0.4875000 0.4875000 -0.0831789), wk = 0.0028329 k( 291) = ( 0.5000000 0.5000000 -0.1007146), wk = 0.0028329 k( 292) = ( 0.5000000 0.5000000 -0.1007146), wk = 0.0028329 k( 293) = ( 0.5000000 0.5000000 -0.1100004), wk = 0.0028329 k( 294) = ( 0.5000000 0.5000000 -0.1192861), wk = 0.0028329 k( 295) = ( 0.5000000 0.5000000 -0.1285718), wk = 0.0028329 k( 296) = ( 0.5000000 0.5000000 -0.1378575), wk = 0.0028329 k( 297) = ( 0.5000000 0.5000000 -0.1471432), wk = 0.0028329 k( 298) = ( 0.5000000 0.5000000 -0.1564289), wk = 0.0028329 k( 299) = ( 0.5000000 0.5000000 -0.1657146), wk = 0.0028329 k( 300) = ( 0.5000000 0.5000000 -0.1750003), wk = 0.0028329 k( 301) = ( 0.5000000 0.5000000 -0.1842860), wk = 0.0028329 k( 302) = ( 0.5000000 0.5000000 -0.1935717), wk = 0.0028329 k( 303) = ( 0.5000000 0.5000000 -0.2028574), wk = 0.0028329 k( 304) = ( 0.5000000 0.5000000 -0.2121431), wk = 0.0028329 k( 305) = ( 0.5000000 0.5000000 -0.2214288), wk = 0.0028329 k( 306) = ( 0.5000000 0.5000000 -0.2307145), wk = 0.0028329 k( 307) = ( 0.5000000 0.5000000 -0.2400002), wk = 0.0028329 k( 308) = ( 0.5000000 0.5000000 -0.2492859), wk = 0.0028329 k( 309) = ( 0.5000000 0.5000000 -0.2585716), wk = 0.0028329 k( 310) = ( 0.5000000 0.5000000 -0.2678573), wk = 0.0028329 k( 311) = ( 0.5000000 0.5000000 -0.2771431), wk = 0.0028329 k( 312) = ( 0.5000000 0.5000000 -0.2864288), wk = 0.0028329 k( 313) = ( 0.5000000 0.5000000 -0.2957145), wk = 0.0028329 k( 314) = ( 0.5000000 0.5000000 -0.3050002), wk = 0.0028329 k( 315) = ( 0.5000000 0.5000000 -0.3142859), wk = 0.0028329 k( 316) = ( 0.5000000 0.5000000 -0.3235716), wk = 0.0028329 k( 317) = ( 0.5000000 0.5000000 -0.3328573), wk = 0.0028329 k( 318) = ( 0.5000000 0.5000000 -0.3421430), wk = 0.0028329 k( 319) = ( 0.5000000 0.5000000 -0.3514287), wk = 0.0028329 k( 320) = ( 0.5000000 0.5000000 -0.3607144), wk = 0.0028329 k( 321) = ( 0.5000000 0.5000000 -0.3700001), wk = 0.0028329 k( 322) = ( 0.5000000 0.5000000 -0.3792858), wk = 0.0028329 k( 323) = ( 0.5000000 0.5000000 -0.3885715), wk = 0.0028329 k( 324) = ( 0.5000000 0.5000000 -0.3978572), wk = 0.0028329 k( 325) = ( 0.5000000 0.5000000 -0.4071429), wk = 0.0028329 k( 326) = ( 0.5000000 0.5000000 -0.4164286), wk = 0.0028329 k( 327) = ( 0.5000000 0.5000000 -0.4257144), wk = 0.0028329 k( 328) = ( 0.5000000 0.5000000 -0.4350001), wk = 0.0028329 k( 329) = ( 0.5000000 0.5000000 -0.4442858), wk = 0.0028329 k( 330) = ( 0.5000000 0.5000000 -0.4535715), wk = 0.0028329 k( 331) = ( 0.5000000 0.5000000 -0.4628572), wk = 0.0028329 k( 332) = ( 0.5000000 0.5000000 -0.4721429), wk = 0.0028329 k( 333) = ( 0.5000000 0.5000000 -0.4814286), wk = 0.0028329 k( 334) = ( 0.5000000 0.5000000 -0.4907143), wk = 0.0028329 k( 335) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028329 k( 336) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 337) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0028329 k( 338) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0028329 k( 339) = ( 0.0441177 0.0441177 0.4558823), wk = 0.0028329 k( 340) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0028329 k( 341) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0028329 k( 342) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0028329 k( 343) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0028329 k( 344) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0028329 k( 345) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0028329 k( 346) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0028329 k( 347) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0028329 k( 348) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0028329 k( 349) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0028329 k( 350) = ( 0.2058823 0.2058824 0.2941177), wk = 0.0028329 k( 351) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0028329 k( 352) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0028329 k( 353) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028329 Dense grid: 77817 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.51 Mb ( 542, 62) NL pseudopotentials 0.63 Mb ( 271, 152) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2161) G-vector shells 0.01 Mb ( 972) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.05 Mb ( 542, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.29 Mb ( 152, 2, 62) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./LiScO2.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.6 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 12.1 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 15.2 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.3 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 21.6 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.2 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 28.7 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 32.1 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.4 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 38.8 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.0 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.4 secs Computing kpt #: 14 total cpu time spent up to now is 47.7 secs Computing kpt #: 15 total cpu time spent up to now is 50.6 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.8 secs Computing kpt #: 17 total cpu time spent up to now is 55.9 secs Computing kpt #: 18 total cpu time spent up to now is 58.0 secs Computing kpt #: 19 total cpu time spent up to now is 60.1 secs Computing kpt #: 20 total cpu time spent up to now is 62.1 secs Computing kpt #: 21 total cpu time spent up to now is 64.2 secs Computing kpt #: 22 total cpu time spent up to now is 65.8 secs Computing kpt #: 23 total cpu time spent up to now is 68.0 secs Computing kpt #: 24 total cpu time spent up to now is 69.7 secs Computing kpt #: 25 total cpu time spent up to now is 71.6 secs Computing kpt #: 26 total cpu time spent up to now is 73.2 secs Computing kpt #: 27 total cpu time spent up to now is 74.8 secs Computing kpt #: 28 total cpu time spent up to now is 76.3 secs Computing kpt #: 29 total cpu time spent up to now is 77.9 secs Computing kpt #: 30 total cpu time spent up to now is 79.5 secs Computing kpt #: 31 total cpu time spent up to now is 80.9 secs Computing kpt #: 32 total cpu time spent up to now is 82.5 secs Computing kpt #: 33 total cpu time spent up to now is 84.0 secs Computing kpt #: 34 total cpu time spent up to now is 85.4 secs Computing kpt #: 35 total cpu time spent up to now is 87.0 secs Computing kpt #: 36 total cpu time spent up to now is 88.4 secs Computing kpt #: 37 total cpu time spent up to now is 90.0 secs Computing kpt #: 38 total cpu time spent up to now is 91.4 secs Computing kpt #: 39 total cpu time spent up to now is 92.9 secs Computing kpt #: 40 total cpu time spent up to now is 94.4 secs Computing kpt #: 41 total cpu time spent up to now is 95.8 secs Computing kpt #: 42 total cpu time spent up to now is 97.3 secs Computing kpt #: 43 total cpu time spent up to now is 98.8 secs Computing kpt #: 44 total cpu time spent up to now is 100.3 secs Computing kpt #: 45 total cpu time spent up to now is 101.9 secs Computing kpt #: 46 total cpu time spent up to now is 103.4 secs Computing kpt #: 47 total cpu time spent up to now is 104.9 secs Computing kpt #: 48 total cpu time spent up to now is 106.5 secs Computing kpt #: 49 total cpu time spent up to now is 108.0 secs Computing kpt #: 50 total cpu time spent up to now is 109.6 secs Computing kpt #: 51 total cpu time spent up to now is 111.5 secs Computing kpt #: 52 total cpu time spent up to now is 113.5 secs Computing kpt #: 53 total cpu time spent up to now is 115.8 secs Computing kpt #: 54 total cpu time spent up to now is 118.9 secs Computing kpt #: 55 total cpu time spent up to now is 120.7 secs Computing kpt #: 56 total cpu time spent up to now is 122.5 secs Computing kpt #: 57 total cpu time spent up to now is 124.0 secs Computing kpt #: 58 total cpu time spent up to now is 125.5 secs Computing kpt #: 59 total cpu time spent up to now is 127.0 secs Computing kpt #: 60 total cpu time spent up to now is 128.6 secs Computing kpt #: 61 total cpu time spent up to now is 130.2 secs Computing kpt #: 62 total cpu time spent up to now is 131.8 secs Computing kpt #: 63 total cpu time spent up to now is 133.4 secs Computing kpt #: 64 total cpu time spent up to now is 135.4 secs Computing kpt #: 65 total cpu time spent up to now is 137.4 secs Computing kpt #: 66 total cpu time spent up to now is 139.8 secs Computing kpt #: 67 total cpu time spent up to now is 142.3 secs Computing kpt #: 68 total cpu time spent up to now is 145.4 secs Computing kpt #: 69 total cpu time spent up to now is 147.6 secs Computing kpt #: 70 total cpu time spent up to now is 149.8 secs Computing kpt #: 71 total cpu time spent up to now is 152.3 secs Computing kpt #: 72 total cpu time spent up to now is 154.9 secs Computing kpt #: 73 total cpu time spent up to now is 157.2 secs Computing kpt #: 74 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 160.8 secs Computing kpt #: 75 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 164.5 secs Computing kpt #: 76 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 168.2 secs Computing kpt #: 77 total cpu time spent up to now is 170.4 secs Computing kpt #: 78 total cpu time spent up to now is 172.0 secs Computing kpt #: 79 total cpu time spent up to now is 173.7 secs Computing kpt #: 80 total cpu time spent up to now is 175.3 secs Computing kpt #: 81 total cpu time spent up to now is 176.9 secs Computing kpt #: 82 total cpu time spent up to now is 178.6 secs Computing kpt #: 83 total cpu time spent up to now is 180.1 secs Computing kpt #: 84 total cpu time spent up to now is 181.8 secs Computing kpt #: 85 total cpu time spent up to now is 183.3 secs Computing kpt #: 86 total cpu time spent up to now is 184.8 secs Computing kpt #: 87 total cpu time spent up to now is 186.4 secs Computing kpt #: 88 total cpu time spent up to now is 187.9 secs Computing kpt #: 89 total cpu time spent up to now is 189.3 secs Computing kpt #: 90 total cpu time spent up to now is 190.8 secs Computing kpt #: 91 total cpu time spent up to now is 192.3 secs Computing kpt #: 92 total cpu time spent up to now is 193.9 secs Computing kpt #: 93 total cpu time spent up to now is 195.3 secs Computing kpt #: 94 total cpu time spent up to now is 196.9 secs Computing kpt #: 95 total cpu time spent up to now is 198.4 secs Computing kpt #: 96 total cpu time spent up to now is 199.8 secs Computing kpt #: 97 total cpu time spent up to now is 201.3 secs Computing kpt #: 98 total cpu time spent up to now is 202.7 secs Computing kpt #: 99 total cpu time spent up to now is 204.2 secs Computing kpt #: 100 total cpu time spent up to now is 205.7 secs Computing kpt #: 101 total cpu time spent up to now is 207.2 secs Computing kpt #: 102 total cpu time spent up to now is 208.7 secs Computing kpt #: 103 total cpu time spent up to now is 210.2 secs Computing kpt #: 104 total cpu time spent up to now is 211.7 secs Computing kpt #: 105 total cpu time spent up to now is 213.2 secs Computing kpt #: 106 total cpu time spent up to now is 214.8 secs Computing kpt #: 107 total cpu time spent up to now is 216.4 secs Computing kpt #: 108 total cpu time spent up to now is 218.0 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.2 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.5 secs Computing kpt #: 111 total cpu time spent up to now is 226.1 secs Computing kpt #: 112 total cpu time spent up to now is 228.0 secs Computing kpt #: 113 total cpu time spent up to now is 229.6 secs Computing kpt #: 114 total cpu time spent up to now is 231.7 secs Computing kpt #: 115 total cpu time spent up to now is 233.3 secs Computing kpt #: 116 total cpu time spent up to now is 235.2 secs Computing kpt #: 117 total cpu time spent up to now is 236.8 secs Computing kpt #: 118 total cpu time spent up to now is 238.4 secs Computing kpt #: 119 total cpu time spent up to now is 240.1 secs Computing kpt #: 120 total cpu time spent up to now is 242.0 secs Computing kpt #: 121 total cpu time spent up to now is 243.6 secs Computing kpt #: 122 total cpu time spent up to now is 245.7 secs Computing kpt #: 123 total cpu time spent up to now is 247.7 secs Computing kpt #: 124 total cpu time spent up to now is 249.8 secs Computing kpt #: 125 total cpu time spent up to now is 252.4 secs Computing kpt #: 126 total cpu time spent up to now is 255.5 secs Computing kpt #: 127 total cpu time spent up to now is 258.7 secs Computing kpt #: 128 total cpu time spent up to now is 261.3 secs Computing kpt #: 129 total cpu time spent up to now is 262.8 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.1 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.3 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.0 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.3 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.5 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.6 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.9 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 292.1 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.5 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.7 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 304.9 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.1 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 311.2 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.4 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.5 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.6 secs Computing kpt #: 148 total cpu time spent up to now is 322.5 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 326.2 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 329.4 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.6 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 335.7 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.8 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.0 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 345.1 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.3 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.4 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.5 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 357.6 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.7 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 364.0 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 367.0 secs Computing kpt #: 163 total cpu time spent up to now is 368.8 secs Computing kpt #: 164 total cpu time spent up to now is 370.6 secs Computing kpt #: 165 total cpu time spent up to now is 372.5 secs Computing kpt #: 166 total cpu time spent up to now is 374.1 secs Computing kpt #: 167 total cpu time spent up to now is 375.9 secs Computing kpt #: 168 total cpu time spent up to now is 377.7 secs Computing kpt #: 169 total cpu time spent up to now is 379.5 secs Computing kpt #: 170 total cpu time spent up to now is 380.9 secs Computing kpt #: 171 total cpu time spent up to now is 382.7 secs Computing kpt #: 172 total cpu time spent up to now is 384.5 secs Computing kpt #: 173 total cpu time spent up to now is 386.3 secs Computing kpt #: 174 total cpu time spent up to now is 388.2 secs Computing kpt #: 175 total cpu time spent up to now is 390.0 secs Computing kpt #: 176 total cpu time spent up to now is 391.8 secs Computing kpt #: 177 total cpu time spent up to now is 393.7 secs Computing kpt #: 178 total cpu time spent up to now is 395.5 secs Computing kpt #: 179 total cpu time spent up to now is 397.3 secs Computing kpt #: 180 total cpu time spent up to now is 399.4 secs Computing kpt #: 181 total cpu time spent up to now is 401.3 secs Computing kpt #: 182 total cpu time spent up to now is 403.1 secs Computing kpt #: 183 total cpu time spent up to now is 404.9 secs Computing kpt #: 184 total cpu time spent up to now is 406.8 secs Computing kpt #: 185 total cpu time spent up to now is 408.7 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 411.8 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 414.9 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 418.1 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 421.2 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 424.4 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 427.7 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 430.7 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.8 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 436.8 secs Computing kpt #: 195 total cpu time spent up to now is 439.8 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 442.9 secs Computing kpt #: 197 total cpu time spent up to now is 444.4 secs Computing kpt #: 198 total cpu time spent up to now is 446.7 secs Computing kpt #: 199 total cpu time spent up to now is 448.5 secs Computing kpt #: 200 total cpu time spent up to now is 450.1 secs Computing kpt #: 201 total cpu time spent up to now is 451.6 secs Computing kpt #: 202 total cpu time spent up to now is 453.2 secs Computing kpt #: 203 total cpu time spent up to now is 454.7 secs Computing kpt #: 204 total cpu time spent up to now is 456.6 secs Computing kpt #: 205 total cpu time spent up to now is 458.1 secs Computing kpt #: 206 total cpu time spent up to now is 459.5 secs Computing kpt #: 207 total cpu time spent up to now is 461.1 secs Computing kpt #: 208 total cpu time spent up to now is 462.6 secs Computing kpt #: 209 total cpu time spent up to now is 464.0 secs Computing kpt #: 210 total cpu time spent up to now is 465.5 secs Computing kpt #: 211 total cpu time spent up to now is 466.9 secs Computing kpt #: 212 total cpu time spent up to now is 468.4 secs Computing kpt #: 213 total cpu time spent up to now is 469.9 secs Computing kpt #: 214 total cpu time spent up to now is 471.4 secs Computing kpt #: 215 total cpu time spent up to now is 473.0 secs Computing kpt #: 216 total cpu time spent up to now is 474.4 secs Computing kpt #: 217 total cpu time spent up to now is 476.0 secs Computing kpt #: 218 total cpu time spent up to now is 477.4 secs Computing kpt #: 219 total cpu time spent up to now is 478.9 secs Computing kpt #: 220 total cpu time spent up to now is 480.4 secs Computing kpt #: 221 total cpu time spent up to now is 481.9 secs Computing kpt #: 222 total cpu time spent up to now is 483.4 secs Computing kpt #: 223 total cpu time spent up to now is 484.9 secs Computing kpt #: 224 total cpu time spent up to now is 486.5 secs Computing kpt #: 225 total cpu time spent up to now is 488.1 secs Computing kpt #: 226 total cpu time spent up to now is 489.7 secs Computing kpt #: 227 total cpu time spent up to now is 491.3 secs Computing kpt #: 228 total cpu time spent up to now is 492.8 secs Computing kpt #: 229 total cpu time spent up to now is 494.5 secs Computing kpt #: 230 total cpu time spent up to now is 496.0 secs Computing kpt #: 231 total cpu time spent up to now is 497.6 secs Computing kpt #: 232 total cpu time spent up to now is 499.2 secs Computing kpt #: 233 total cpu time spent up to now is 500.8 secs Computing kpt #: 234 total cpu time spent up to now is 502.4 secs Computing kpt #: 235 total cpu time spent up to now is 504.1 secs Computing kpt #: 236 total cpu time spent up to now is 505.6 secs Computing kpt #: 237 total cpu time spent up to now is 507.2 secs Computing kpt #: 238 total cpu time spent up to now is 508.9 secs Computing kpt #: 239 total cpu time spent up to now is 510.5 secs Computing kpt #: 240 total cpu time spent up to now is 512.1 secs Computing kpt #: 241 total cpu time spent up to now is 513.7 secs Computing kpt #: 242 total cpu time spent up to now is 515.7 secs Computing kpt #: 243 total cpu time spent up to now is 517.4 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.6 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 523.9 secs Computing kpt #: 246 total cpu time spent up to now is 526.4 secs Computing kpt #: 247 total cpu time spent up to now is 529.6 secs Computing kpt #: 248 total cpu time spent up to now is 531.3 secs Computing kpt #: 249 total cpu time spent up to now is 532.9 secs Computing kpt #: 250 total cpu time spent up to now is 534.5 secs Computing kpt #: 251 total cpu time spent up to now is 536.1 secs Computing kpt #: 252 total cpu time spent up to now is 537.8 secs Computing kpt #: 253 total cpu time spent up to now is 539.4 secs Computing kpt #: 254 total cpu time spent up to now is 541.0 secs Computing kpt #: 255 total cpu time spent up to now is 542.5 secs Computing kpt #: 256 total cpu time spent up to now is 544.1 secs Computing kpt #: 257 total cpu time spent up to now is 545.6 secs Computing kpt #: 258 total cpu time spent up to now is 547.1 secs Computing kpt #: 259 total cpu time spent up to now is 548.8 secs Computing kpt #: 260 total cpu time spent up to now is 550.3 secs Computing kpt #: 261 total cpu time spent up to now is 551.8 secs Computing kpt #: 262 total cpu time spent up to now is 553.3 secs Computing kpt #: 263 total cpu time spent up to now is 554.9 secs Computing kpt #: 264 total cpu time spent up to now is 556.5 secs Computing kpt #: 265 total cpu time spent up to now is 558.1 secs Computing kpt #: 266 total cpu time spent up to now is 559.7 secs Computing kpt #: 267 total cpu time spent up to now is 561.3 secs Computing kpt #: 268 total cpu time spent up to now is 563.4 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.5 secs Computing kpt #: 270 total cpu time spent up to now is 568.0 secs Computing kpt #: 271 total cpu time spent up to now is 569.6 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 572.7 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 576.0 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 579.2 secs Computing kpt #: 275 total cpu time spent up to now is 582.3 secs Computing kpt #: 276 total cpu time spent up to now is 584.7 secs Computing kpt #: 277 total cpu time spent up to now is 586.3 secs Computing kpt #: 278 total cpu time spent up to now is 589.4 secs Computing kpt #: 279 total cpu time spent up to now is 591.3 secs Computing kpt #: 280 total cpu time spent up to now is 594.4 secs Computing kpt #: 281 total cpu time spent up to now is 596.3 secs Computing kpt #: 282 total cpu time spent up to now is 599.4 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 602.6 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 605.7 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 608.9 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 612.1 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 615.3 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 618.6 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 621.9 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.7 secs Computing kpt #: 291 total cpu time spent up to now is 628.3 secs Computing kpt #: 292 total cpu time spent up to now is 630.7 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 634.1 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 637.5 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 641.3 secs Computing kpt #: 296 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 645.1 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 648.7 secs Computing kpt #: 298 total cpu time spent up to now is 652.1 secs Computing kpt #: 299 total cpu time spent up to now is 654.5 secs Computing kpt #: 300 total cpu time spent up to now is 656.6 secs Computing kpt #: 301 total cpu time spent up to now is 658.3 secs Computing kpt #: 302 total cpu time spent up to now is 660.1 secs Computing kpt #: 303 total cpu time spent up to now is 661.8 secs Computing kpt #: 304 total cpu time spent up to now is 663.5 secs Computing kpt #: 305 total cpu time spent up to now is 665.2 secs Computing kpt #: 306 total cpu time spent up to now is 667.1 secs Computing kpt #: 307 total cpu time spent up to now is 668.8 secs Computing kpt #: 308 total cpu time spent up to now is 670.6 secs Computing kpt #: 309 total cpu time spent up to now is 672.1 secs Computing kpt #: 310 total cpu time spent up to now is 673.9 secs Computing kpt #: 311 total cpu time spent up to now is 675.2 secs Computing kpt #: 312 total cpu time spent up to now is 677.1 secs Computing kpt #: 313 total cpu time spent up to now is 678.7 secs Computing kpt #: 314 total cpu time spent up to now is 680.6 secs Computing kpt #: 315 total cpu time spent up to now is 682.1 secs Computing kpt #: 316 total cpu time spent up to now is 683.6 secs Computing kpt #: 317 total cpu time spent up to now is 685.6 secs Computing kpt #: 318 total cpu time spent up to now is 687.5 secs Computing kpt #: 319 total cpu time spent up to now is 689.3 secs Computing kpt #: 320 total cpu time spent up to now is 691.2 secs Computing kpt #: 321 total cpu time spent up to now is 693.1 secs Computing kpt #: 322 total cpu time spent up to now is 695.4 secs Computing kpt #: 323 total cpu time spent up to now is 696.9 secs Computing kpt #: 324 total cpu time spent up to now is 698.5 secs Computing kpt #: 325 total cpu time spent up to now is 700.1 secs Computing kpt #: 326 total cpu time spent up to now is 701.7 secs Computing kpt #: 327 total cpu time spent up to now is 703.2 secs Computing kpt #: 328 total cpu time spent up to now is 704.7 secs Computing kpt #: 329 total cpu time spent up to now is 706.3 secs Computing kpt #: 330 total cpu time spent up to now is 707.8 secs Computing kpt #: 331 total cpu time spent up to now is 709.7 secs Computing kpt #: 332 total cpu time spent up to now is 711.6 secs Computing kpt #: 333 total cpu time spent up to now is 713.4 secs Computing kpt #: 334 total cpu time spent up to now is 715.3 secs Computing kpt #: 335 total cpu time spent up to now is 717.1 secs Computing kpt #: 336 total cpu time spent up to now is 719.1 secs Computing kpt #: 337 total cpu time spent up to now is 720.6 secs Computing kpt #: 338 total cpu time spent up to now is 722.1 secs Computing kpt #: 339 total cpu time spent up to now is 723.6 secs Computing kpt #: 340 total cpu time spent up to now is 725.1 secs Computing kpt #: 341 total cpu time spent up to now is 726.7 secs Computing kpt #: 342 total cpu time spent up to now is 728.2 secs Computing kpt #: 343 total cpu time spent up to now is 729.7 secs Computing kpt #: 344 total cpu time spent up to now is 731.2 secs Computing kpt #: 345 total cpu time spent up to now is 732.8 secs Computing kpt #: 346 total cpu time spent up to now is 734.3 secs Computing kpt #: 347 total cpu time spent up to now is 735.9 secs Computing kpt #: 348 total cpu time spent up to now is 737.4 secs Computing kpt #: 349 total cpu time spent up to now is 739.0 secs Computing kpt #: 350 total cpu time spent up to now is 740.5 secs Computing kpt #: 351 total cpu time spent up to now is 742.0 secs Computing kpt #: 352 total cpu time spent up to now is 743.6 secs Computing kpt #: 353 total cpu time spent up to now is 745.7 secs ethr = 1.92E-08, avg # of iterations = 57.9 total cpu time spent up to now is 745.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9753 PWs) bands (ev): -39.8181 -39.8181 -39.7361 -39.7361 -35.9505 -35.9505 -35.9403 -35.9403 -18.9537 -18.9537 -18.7327 -18.7327 -18.4893 -18.4893 -18.3643 -18.3643 -18.2565 -18.2565 -18.1882 -18.1882 -9.3993 -9.3993 -8.8081 -8.8081 -8.4986 -8.4986 -8.4595 -8.4595 4.2951 4.2951 4.7619 4.7619 4.7663 4.7663 4.9484 4.9484 4.9507 4.9507 5.1121 5.1121 5.7205 5.7205 6.2914 6.2914 6.3225 6.3225 7.0033 7.0033 7.0437 7.0437 7.0569 7.0569 11.0248 11.0248 12.1190 12.1190 12.1312 12.1312 12.4368 12.4368 12.7923 12.7939 k = 0.0000 0.0000 0.0173 ( 9739 PWs) bands (ev): -39.8181 -39.8181 -39.7361 -39.7361 -35.9505 -35.9505 -35.9402 -35.9402 -18.9538 -18.9538 -18.7329 -18.7329 -18.4893 -18.4893 -18.3645 -18.3645 -18.2566 -18.2566 -18.1881 -18.1881 -9.3987 -9.3987 -8.8077 -8.8077 -8.4983 -8.4983 -8.4593 -8.4593 4.2951 4.2951 4.7607 4.7607 4.7658 4.7658 4.9448 4.9448 4.9511 4.9511 5.1154 5.1154 5.7213 5.7213 6.2897 6.2897 6.3209 6.3209 7.0022 7.0022 7.0422 7.0422 7.0545 7.0545 11.0276 11.0276 12.1189 12.1189 12.1312 12.1312 12.4379 12.4379 12.7929 12.7993 k = 0.0000 0.0000 0.0346 ( 9745 PWs) bands (ev): -39.8181 -39.8181 -39.7361 -39.7361 -35.9505 -35.9505 -35.9403 -35.9403 -18.9539 -18.9539 -18.7335 -18.7335 -18.4892 -18.4892 -18.3649 -18.3649 -18.2568 -18.2568 -18.1881 -18.1881 -9.3967 -9.3967 -8.8063 -8.8063 -8.4975 -8.4975 -8.4586 -8.4586 4.2950 4.2950 4.7551 4.7551 4.7661 4.7661 4.9323 4.9323 4.9549 4.9549 5.1242 5.1242 5.7236 5.7236 6.2845 6.2845 6.3163 6.3163 6.9987 6.9987 7.0381 7.0381 7.0477 7.0477 11.0359 11.0359 12.1187 12.1187 12.1314 12.1314 12.4412 12.4412 12.7947 12.7962 k = 0.0000 0.0000 0.0518 ( 9728 PWs) bands (ev): -39.8180 -39.8180 -39.7362 -39.7362 -35.9505 -35.9505 -35.9403 -35.9403 -18.9540 -18.9540 -18.7344 -18.7344 -18.4890 -18.4890 -18.3657 -18.3657 -18.2571 -18.2571 -18.1879 -18.1879 -9.3934 -9.3934 -8.8042 -8.8042 -8.4963 -8.4963 -8.4573 -8.4573 4.2948 4.2948 4.7449 4.7449 4.7679 4.7679 4.9137 4.9137 4.9614 4.9614 5.1367 5.1367 5.7275 5.7275 6.2749 6.2749 6.3098 6.3098 6.9915 6.9915 7.0315 7.0315 7.0375 7.0375 11.0497 11.0497 12.1179 12.1179 12.1322 12.1322 12.4467 12.4467 12.7961 12.7976 k = 0.0000 0.0000 0.0691 ( 9730 PWs) bands (ev): -39.8178 -39.8178 -39.7363 -39.7363 -35.9505 -35.9505 -35.9403 -35.9403 -18.9543 -18.9543 -18.7358 -18.7358 -18.4888 -18.4888 -18.3668 -18.3668 -18.2575 -18.2575 -18.1878 -18.1878 -9.3887 -9.3887 -8.8011 -8.8011 -8.4945 -8.4945 -8.4556 -8.4556 4.2946 4.2946 4.7306 4.7306 4.7705 4.7705 4.8908 4.8908 4.9705 4.9705 5.1510 5.1510 5.7325 5.7325 6.2601 6.2601 6.3023 6.3023 6.9789 6.9789 7.0192 7.0192 7.0287 7.0287 11.0689 11.0689 12.1163 12.1163 12.1340 12.1340 12.4542 12.4542 12.7987 12.7997 k = 0.0000 0.0000 0.0864 ( 9730 PWs) bands (ev): -39.8176 -39.8176 -39.7364 -39.7364 -35.9505 -35.9505 -35.9403 -35.9403 -18.9546 -18.9546 -18.7375 -18.7375 -18.4886 -18.4886 -18.3682 -18.3682 -18.2581 -18.2581 -18.1875 -18.1875 -9.3828 -9.3828 -8.7972 -8.7972 -8.4922 -8.4922 -8.4534 -8.4534 4.2946 4.2946 4.7127 4.7127 4.7738 4.7738 4.8648 4.8648 4.9820 4.9820 5.1659 5.1659 5.7385 5.7385 6.2399 6.2399 6.2944 6.2944 6.9598 6.9598 7.0014 7.0014 7.0230 7.0230 11.0932 11.0932 12.1138 12.1138 12.1370 12.1370 12.4637 12.4637 12.8022 12.8040 k = 0.0000 0.0000 0.1037 ( 9722 PWs) bands (ev): -39.8174 -39.8174 -39.7366 -39.7366 -35.9505 -35.9505 -35.9403 -35.9403 -18.9549 -18.9549 -18.7396 -18.7396 -18.4883 -18.4883 -18.3699 -18.3699 -18.2587 -18.2587 -18.1873 -18.1873 -9.3756 -9.3756 -8.7925 -8.7925 -8.4894 -8.4894 -8.4507 -8.4507 4.2946 4.2946 4.6913 4.6913 4.7776 4.7776 4.8366 4.8366 4.9958 4.9958 5.1808 5.1808 5.7453 5.7453 6.2147 6.2147 6.2862 6.2862 6.9340 6.9340 6.9804 6.9804 7.0181 7.0181 11.1225 11.1225 12.1108 12.1108 12.1411 12.1411 12.4750 12.4750 12.8059 12.8068 k = 0.0000 0.0000 0.1209 ( 9716 PWs) bands (ev): -39.8171 -39.8171 -39.7367 -39.7367 -35.9504 -35.9504 -35.9403 -35.9403 -18.9554 -18.9554 -18.7420 -18.7420 -18.4880 -18.4880 -18.3718 -18.3718 -18.2595 -18.2595 -18.1870 -18.1870 -9.3671 -9.3671 -8.7870 -8.7870 -8.4862 -8.4862 -8.4475 -8.4475 4.2949 4.2949 4.6669 4.6669 4.7817 4.7817 4.8068 4.8068 5.0116 5.0116 5.1952 5.1952 5.7523 5.7523 6.1849 6.1849 6.2778 6.2778 6.9019 6.9019 6.9568 6.9568 7.0135 7.0135 11.1565 11.1565 12.1076 12.1076 12.1463 12.1463 12.4879 12.4879 12.8102 12.8124 k = 0.0000 0.0000 0.1382 ( 9704 PWs) bands (ev): -39.8168 -39.8168 -39.7370 -39.7370 -35.9504 -35.9504 -35.9404 -35.9404 -18.9559 -18.9559 -18.7448 -18.7448 -18.4876 -18.4876 -18.3740 -18.3740 -18.2603 -18.2603 -18.1867 -18.1867 -9.3574 -9.3574 -8.7806 -8.7806 -8.4825 -8.4825 -8.4439 -8.4439 4.2956 4.2956 4.6398 4.6398 4.7738 4.7738 4.7879 4.7879 5.0294 5.0294 5.2088 5.2088 5.7594 5.7594 6.1510 6.1510 6.2691 6.2691 6.8644 6.8644 6.9307 6.9307 7.0085 7.0085 11.1950 11.1950 12.1043 12.1043 12.1527 12.1527 12.5024 12.5024 12.8144 12.8157 k = 0.0000 0.0000 0.1555 ( 9708 PWs) bands (ev): -39.8165 -39.8165 -39.7372 -39.7372 -35.9504 -35.9504 -35.9404 -35.9404 -18.9564 -18.9564 -18.7478 -18.7478 -18.4873 -18.4873 -18.3765 -18.3765 -18.2613 -18.2613 -18.1864 -18.1864 -9.3465 -9.3465 -8.7735 -8.7735 -8.4783 -8.4783 -8.4399 -8.4399 4.2967 4.2967 4.6103 4.6103 4.7416 4.7416 4.7922 4.7922 5.0489 5.0489 5.2215 5.2215 5.7661 5.7661 6.1137 6.1137 6.2605 6.2605 6.8220 6.8220 6.9023 6.9023 7.0030 7.0030 11.2377 11.2377 12.1013 12.1013 12.1600 12.1600 12.5181 12.5181 12.8192 12.8201 k = 0.0000 0.0000 0.1728 ( 9702 PWs) bands (ev): -39.8161 -39.8161 -39.7375 -39.7375 -35.9503 -35.9503 -35.9404 -35.9404 -18.9570 -18.9570 -18.7512 -18.7512 -18.4870 -18.4870 -18.3791 -18.3791 -18.2623 -18.2623 -18.1861 -18.1861 -9.3343 -9.3343 -8.7656 -8.7656 -8.4736 -8.4736 -8.4354 -8.4354 4.2983 4.2983 4.5787 4.5787 4.7079 4.7079 4.7971 4.7971 5.0699 5.0699 5.2332 5.2332 5.7717 5.7717 6.0736 6.0736 6.2520 6.2520 6.7752 6.7752 6.8718 6.8718 6.9966 6.9966 11.2842 11.2842 12.0988 12.0988 12.1685 12.1685 12.5351 12.5351 12.8249 12.8251 k = 0.0000 0.0000 0.1901 ( 9690 PWs) bands (ev): -39.8157 -39.8157 -39.7378 -39.7378 -35.9503 -35.9503 -35.9405 -35.9405 -18.9577 -18.9577 -18.7549 -18.7549 -18.4866 -18.4866 -18.3821 -18.3821 -18.2633 -18.2633 -18.1858 -18.1858 -9.3210 -9.3210 -8.7570 -8.7570 -8.4685 -8.4685 -8.4305 -8.4305 4.3004 4.3004 4.5454 4.5454 4.6732 4.6732 4.8020 4.8020 5.0922 5.0922 5.2439 5.2439 5.7757 5.7757 6.0315 6.0315 6.2441 6.2441 6.7243 6.7243 6.8395 6.8395 6.9892 6.9892 11.3343 11.3343 12.0970 12.0970 12.1782 12.1782 12.5529 12.5529 12.8309 12.8311 k = 0.0000 0.0000 0.2073 ( 9682 PWs) bands (ev): -39.8152 -39.8152 -39.7381 -39.7381 -35.9502 -35.9502 -35.9405 -35.9405 -18.9584 -18.9584 -18.7588 -18.7588 -18.4863 -18.4863 -18.3852 -18.3852 -18.2645 -18.2645 -18.1855 -18.1855 -9.3065 -9.3065 -8.7477 -8.7477 -8.4630 -8.4630 -8.4252 -8.4252 4.3033 4.3033 4.5106 4.5106 4.6377 4.6377 4.8066 4.8066 5.1155 5.1155 5.2534 5.2534 5.7767 5.7767 5.9887 5.9887 6.2368 6.2368 6.6698 6.6698 6.8057 6.8057 6.9806 6.9806 11.3876 11.3876 12.0962 12.0962 12.1890 12.1890 12.5716 12.5716 12.8376 12.8378 k = 0.0000 0.0000 0.2246 ( 9690 PWs) bands (ev): -39.8147 -39.8147 -39.7384 -39.7384 -35.9502 -35.9502 -35.9405 -35.9405 -18.9592 -18.9592 -18.7630 -18.7630 -18.4861 -18.4861 -18.3885 -18.3885 -18.2656 -18.2656 -18.1852 -18.1852 -9.2909 -9.2909 -8.7377 -8.7377 -8.4571 -8.4571 -8.4195 -8.4195 4.3068 4.3068 4.4745 4.4745 4.6015 4.6015 4.8107 4.8107 5.1396 5.1396 5.2618 5.2618 5.7727 5.7727 5.9477 5.9477 6.2306 6.2306 6.6121 6.6121 6.7708 6.7708 6.9709 6.9709 11.4439 11.4439 12.0964 12.0964 12.2009 12.2009 12.5910 12.5910 12.8448 12.8448 k = 0.0000 0.0000 0.2419 ( 9678 PWs) bands (ev): -39.8141 -39.8141 -39.7388 -39.7388 -35.9501 -35.9501 -35.9406 -35.9406 -18.9600 -18.9600 -18.7675 -18.7675 -18.4859 -18.4859 -18.3919 -18.3919 -18.2668 -18.2668 -18.1850 -18.1850 -9.2743 -9.2743 -8.7271 -8.7271 -8.4508 -8.4508 -8.4135 -8.4135 4.3111 4.3111 4.4375 4.4375 4.5648 4.5648 4.8141 4.8141 5.1640 5.1640 5.2690 5.2690 5.7600 5.7600 5.9123 5.9123 6.2257 6.2257 6.5515 6.5515 6.7352 6.7352 6.9598 6.9598 11.5028 11.5028 12.0978 12.0978 12.2141 12.2141 12.6108 12.6108 12.8525 12.8525 k = 0.0000 0.0000 0.2592 ( 9678 PWs) bands (ev): -39.8136 -39.8136 -39.7392 -39.7392 -35.9501 -35.9501 -35.9406 -35.9406 -18.9608 -18.9608 -18.7721 -18.7721 -18.4858 -18.4858 -18.3956 -18.3956 -18.2680 -18.2680 -18.1848 -18.1848 -9.2566 -9.2566 -8.7159 -8.7159 -8.4441 -8.4441 -8.4071 -8.4071 4.3161 4.3161 4.3999 4.3999 4.5276 4.5276 4.8167 4.8167 5.1887 5.1887 5.2751 5.2751 5.7343 5.7343 5.8867 5.8867 6.2223 6.2223 6.4885 6.4885 6.6994 6.6994 6.9473 6.9473 11.5641 11.5641 12.1007 12.1007 12.2286 12.2286 12.6311 12.6311 12.8607 12.8607 k = 0.0000 0.0000 0.2765 ( 9676 PWs) bands (ev): -39.8130 -39.8130 -39.7397 -39.7397 -35.9500 -35.9500 -35.9407 -35.9407 -18.9617 -18.9617 -18.7770 -18.7770 -18.4857 -18.4857 -18.3994 -18.3994 -18.2692 -18.2692 -18.1847 -18.1847 -9.2380 -9.2380 -8.7042 -8.7042 -8.4371 -8.4371 -8.4004 -8.4004 4.3212 4.3212 4.3624 4.3624 4.4902 4.4902 4.8182 4.8182 5.2130 5.2130 5.2799 5.2799 5.6954 5.6954 5.8717 5.8717 6.2208 6.2208 6.4233 6.4233 6.6637 6.6637 6.9334 6.9334 11.6273 11.6273 12.1050 12.1050 12.2442 12.2442 12.6517 12.6517 12.8694 12.8694 k = 0.0000 0.0000 0.2937 ( 9674 PWs) bands (ev): -39.8123 -39.8123 -39.7401 -39.7401 -35.9499 -35.9499 -35.9407 -35.9407 -18.9627 -18.9627 -18.7820 -18.7820 -18.4857 -18.4857 -18.4033 -18.4033 -18.2704 -18.2704 -18.1846 -18.1846 -9.2184 -9.2184 -8.6919 -8.6919 -8.4298 -8.4298 -8.3933 -8.3933 4.3160 4.3160 4.3358 4.3358 4.4525 4.4525 4.8185 4.8185 5.2367 5.2367 5.2835 5.2835 5.6470 5.6470 5.8636 5.8636 6.2214 6.2214 6.3564 6.3564 6.6289 6.6289 6.9180 6.9180 11.6924 11.6924 12.1110 12.1110 12.2612 12.2612 12.6724 12.6724 12.8785 12.8785 k = 0.0000 0.0000 0.3110 ( 9678 PWs) bands (ev): -39.8116 -39.8116 -39.7406 -39.7406 -35.9498 -35.9498 -35.9408 -35.9408 -18.9636 -18.9636 -18.7872 -18.7872 -18.4858 -18.4858 -18.4073 -18.4073 -18.2715 -18.2715 -18.1846 -18.1846 -9.1979 -9.1979 -8.6792 -8.6792 -8.4221 -8.4221 -8.3860 -8.3860 4.2809 4.2809 4.3398 4.3398 4.4146 4.4146 4.8174 4.8174 5.2592 5.2592 5.2858 5.2858 5.5928 5.5928 5.8590 5.8590 6.2241 6.2241 6.2882 6.2882 6.5953 6.5953 6.9011 6.9011 11.7589 11.7589 12.1186 12.1186 12.2793 12.2793 12.6934 12.6934 12.8880 12.8880 k = 0.0000 0.0000 0.3283 ( 9674 PWs) bands (ev): -39.8109 -39.8109 -39.7411 -39.7411 -35.9498 -35.9498 -35.9409 -35.9409 -18.9646 -18.9646 -18.7925 -18.7925 -18.4861 -18.4861 -18.4114 -18.4114 -18.2725 -18.2725 -18.1846 -18.1846 -9.1766 -9.1766 -8.6661 -8.6661 -8.4142 -8.4142 -8.3785 -8.3785 4.2423 4.2423 4.3483 4.3483 4.3767 4.3767 4.8149 4.8149 5.2801 5.2801 5.2869 5.2869 5.5353 5.5353 5.8557 5.8557 6.2182 6.2182 6.2302 6.2302 6.5637 6.5637 6.8828 6.8828 11.8267 11.8267 12.1280 12.1280 12.2987 12.2987 12.7144 12.7144 12.8978 12.8978 k = 0.0000 0.0000 0.3456 ( 9668 PWs) bands (ev): -39.8102 -39.8102 -39.7417 -39.7417 -35.9497 -35.9497 -35.9409 -35.9409 -18.9656 -18.9656 -18.7980 -18.7980 -18.4864 -18.4864 -18.4155 -18.4155 -18.2735 -18.2735 -18.1847 -18.1847 -9.1545 -9.1545 -8.6527 -8.6527 -8.4060 -8.4060 -8.3707 -8.3707 4.2034 4.2034 4.3389 4.3389 4.3581 4.3581 4.8108 4.8108 5.2861 5.2861 5.2991 5.2991 5.4756 5.4756 5.8527 5.8527 6.1491 6.1491 6.2373 6.2373 6.5347 6.5347 6.8629 6.8629 11.8955 11.8955 12.1390 12.1390 12.3192 12.3192 12.7356 12.7356 12.9078 12.9078 k = 0.0000 0.0000 0.3628 ( 9672 PWs) bands (ev): -39.8094 -39.8094 -39.7422 -39.7422 -35.9496 -35.9496 -35.9410 -35.9410 -18.9666 -18.9666 -18.8036 -18.8036 -18.4868 -18.4868 -18.4198 -18.4198 -18.2745 -18.2745 -18.1849 -18.1849 -9.1317 -9.1317 -8.6389 -8.6389 -8.3975 -8.3975 -8.3627 -8.3627 4.1646 4.1646 4.3012 4.3012 4.3691 4.3691 4.8052 4.8052 5.2839 5.2839 5.3152 5.3152 5.4145 5.4145 5.8494 5.8494 6.0795 6.0795 6.2475 6.2475 6.5089 6.5089 6.8416 6.8416 11.9650 11.9650 12.1519 12.1519 12.3410 12.3410 12.7568 12.7568 12.9181 12.9181 k = 0.0000 0.0000 0.3801 ( 9670 PWs) bands (ev): -39.8086 -39.8086 -39.7428 -39.7428 -35.9495 -35.9495 -35.9411 -35.9411 -18.9677 -18.9677 -18.8093 -18.8093 -18.4874 -18.4874 -18.4241 -18.4241 -18.2753 -18.2753 -18.1852 -18.1852 -9.1082 -9.1082 -8.6249 -8.6249 -8.3889 -8.3889 -8.3546 -8.3546 4.1260 4.1260 4.2637 4.2637 4.3811 4.3811 4.7979 4.7979 5.2798 5.2798 5.3281 5.3281 5.3528 5.3528 5.8456 5.8456 6.0104 6.0104 6.2603 6.2603 6.4870 6.4870 6.8190 6.8190 12.0351 12.0351 12.1665 12.1665 12.3638 12.3638 12.7780 12.7780 12.9285 12.9285 k = 0.0000 0.0000 0.3974 ( 9666 PWs) bands (ev): -39.8077 -39.8077 -39.7435 -39.7435 -35.9494 -35.9494 -35.9411 -35.9411 -18.9687 -18.9687 -18.8150 -18.8150 -18.4881 -18.4881 -18.4284 -18.4284 -18.2760 -18.2760 -18.1855 -18.1855 -9.0841 -9.0841 -8.6106 -8.6106 -8.3800 -8.3800 -8.3463 -8.3463 4.0880 4.0880 4.2265 4.2265 4.3940 4.3940 4.7891 4.7891 5.2734 5.2734 5.2903 5.2903 5.3376 5.3376 5.8411 5.8411 5.9426 5.9426 6.2756 6.2756 6.4695 6.4695 6.7950 6.7950 12.1056 12.1056 12.1830 12.1830 12.3877 12.3877 12.7993 12.7993 12.9390 12.9390 k = 0.0000 0.0000 0.4147 ( 9682 PWs) bands (ev): -39.8069 -39.8069 -39.7441 -39.7441 -35.9493 -35.9493 -35.9412 -35.9412 -18.9697 -18.9697 -18.8208 -18.8208 -18.4889 -18.4889 -18.4328 -18.4328 -18.2766 -18.2766 -18.1860 -18.1860 -9.0595 -9.0595 -8.5963 -8.5963 -8.3711 -8.3711 -8.3379 -8.3379 4.0505 4.0505 4.1897 4.1897 4.4080 4.4080 4.7788 4.7788 5.2279 5.2279 5.2644 5.2644 5.3428 5.3428 5.8357 5.8357 5.8767 5.8767 6.2931 6.2931 6.4570 6.4570 6.7699 6.7699 12.1758 12.1758 12.2015 12.2015 12.4125 12.4125 12.8205 12.8205 12.9496 12.9496 k = 0.0000 0.0000 0.4320 ( 9682 PWs) bands (ev): -39.8060 -39.8060 -39.7448 -39.7448 -35.9492 -35.9492 -35.9413 -35.9413 -18.9707 -18.9707 -18.8267 -18.8267 -18.4898 -18.4898 -18.4371 -18.4371 -18.2770 -18.2770 -18.1865 -18.1865 -9.0343 -9.0343 -8.5818 -8.5818 -8.3620 -8.3620 -8.3294 -8.3294 4.0136 4.0136 4.1533 4.1533 4.4228 4.4228 4.7671 4.7671 5.1657 5.1657 5.2521 5.2521 5.3437 5.3437 5.8130 5.8130 5.8303 5.8303 6.3126 6.3126 6.4497 6.4497 6.7439 6.7439 12.2198 12.2198 12.2478 12.2478 12.4383 12.4383 12.8417 12.8417 12.9601 12.9601 k = 0.0000 0.0000 0.4492 ( 9682 PWs) bands (ev): -39.8051 -39.8051 -39.7455 -39.7455 -35.9491 -35.9491 -35.9414 -35.9414 -18.9717 -18.9717 -18.8326 -18.8326 -18.4908 -18.4908 -18.4415 -18.4415 -18.2774 -18.2774 -18.1871 -18.1871 -9.0088 -9.0088 -8.5674 -8.5674 -8.3528 -8.3528 -8.3208 -8.3208 3.9776 3.9776 4.1175 4.1175 4.4385 4.4385 4.7541 4.7541 5.1039 5.1039 5.2358 5.2358 5.3402 5.3402 5.7540 5.7540 5.8231 5.8231 6.3336 6.3336 6.4480 6.4480 6.7172 6.7172 12.2415 12.2415 12.3179 12.3179 12.4650 12.4650 12.8629 12.8629 12.9705 12.9705 k = 0.0000 0.0000 0.4665 ( 9682 PWs) bands (ev): -39.8041 -39.8041 -39.7462 -39.7462 -35.9490 -35.9490 -35.9415 -35.9415 -18.9727 -18.9727 -18.8385 -18.8385 -18.4920 -18.4920 -18.4459 -18.4459 -18.2776 -18.2776 -18.1878 -18.1878 -8.9829 -8.9829 -8.5530 -8.5530 -8.3435 -8.3435 -8.3122 -8.3122 3.9424 3.9424 4.0823 4.0823 4.4550 4.4550 4.7401 4.7401 5.0427 5.0427 5.2147 5.2147 5.3325 5.3325 5.6997 5.6997 5.8155 5.8155 6.3557 6.3557 6.4517 6.4517 6.6904 6.6904 12.2644 12.2644 12.3880 12.3880 12.4924 12.4924 12.8839 12.8839 12.9808 12.9808 k = 0.0000 0.0000 0.4838 ( 9688 PWs) bands (ev): -39.8031 -39.8031 -39.7470 -39.7470 -35.9489 -35.9489 -35.9416 -35.9416 -18.9736 -18.9736 -18.8444 -18.8444 -18.4932 -18.4932 -18.4502 -18.4502 -18.2776 -18.2776 -18.1887 -18.1887 -8.9567 -8.9567 -8.5387 -8.5387 -8.3342 -8.3342 -8.3036 -8.3036 3.9082 3.9082 4.0477 4.0477 4.4722 4.4722 4.7251 4.7251 4.9824 4.9824 5.1879 5.1879 5.3208 5.3208 5.6513 5.6513 5.8072 5.8072 6.3777 6.3777 6.4606 6.4606 6.6642 6.6642 12.2887 12.2887 12.4576 12.4576 12.5206 12.5206 12.9047 12.9047 12.9908 12.9908 k = 0.0000 0.0000 0.5011 ( 9688 PWs) bands (ev): -39.8021 -39.8021 -39.7477 -39.7477 -35.9487 -35.9487 -35.9417 -35.9417 -18.9745 -18.9745 -18.8502 -18.8502 -18.4946 -18.4946 -18.4544 -18.4544 -18.2775 -18.2775 -18.1896 -18.1896 -8.9303 -8.9303 -8.5246 -8.5246 -8.3249 -8.3249 -8.2951 -8.2951 3.8750 3.8750 4.0139 4.0139 4.4900 4.4900 4.7093 4.7093 4.9230 4.9230 5.1550 5.1550 5.3056 5.3056 5.6097 5.6097 5.7983 5.7983 6.3980 6.3980 6.4744 6.4744 6.6402 6.6402 12.3144 12.3144 12.5263 12.5263 12.5497 12.5497 12.9252 12.9252 13.0006 13.0006 k = 0.0000 0.0000 0.5184 ( 9692 PWs) bands (ev): -39.8011 -39.8011 -39.7485 -39.7485 -35.9486 -35.9486 -35.9418 -35.9418 -18.9754 -18.9754 -18.8561 -18.8561 -18.4960 -18.4960 -18.4587 -18.4587 -18.2772 -18.2772 -18.1906 -18.1906 -8.9037 -8.9037 -8.5108 -8.5108 -8.3156 -8.3156 -8.2866 -8.2866 3.8429 3.8429 3.9808 3.9808 4.5082 4.5082 4.6929 4.6929 4.8649 4.8649 5.1159 5.1159 5.2876 5.2876 5.5751 5.5751 5.7887 5.7887 6.4137 6.4137 6.4927 6.4927 6.6211 6.6211 12.3412 12.3412 12.5772 12.5772 12.5964 12.5964 12.9455 12.9455 13.0102 13.0102 k = 0.0000 0.0000 0.5356 ( 9710 PWs) bands (ev): -39.8001 -39.8001 -39.7493 -39.7493 -35.9485 -35.9485 -35.9419 -35.9419 -18.9762 -18.9762 -18.8619 -18.8619 -18.4975 -18.4975 -18.4628 -18.4628 -18.2768 -18.2768 -18.1916 -18.1916 -8.8771 -8.8771 -8.4972 -8.4972 -8.3063 -8.3063 -8.2782 -8.2782 3.8121 3.8121 3.9486 3.9486 4.5266 4.5266 4.6761 4.6761 4.8080 4.8080 5.0712 5.0712 5.2674 5.2674 5.5472 5.5472 5.7785 5.7785 6.4206 6.4206 6.5147 6.5147 6.6109 6.6109 12.3693 12.3693 12.6072 12.6072 12.6634 12.6634 12.9654 12.9654 13.0193 13.0193 k = 0.0000 0.0000 0.5529 ( 9710 PWs) bands (ev): -39.7990 -39.7990 -39.7502 -39.7502 -35.9484 -35.9484 -35.9420 -35.9420 -18.9769 -18.9769 -18.8677 -18.8677 -18.4991 -18.4991 -18.4669 -18.4669 -18.2762 -18.2762 -18.1928 -18.1928 -8.8505 -8.8505 -8.4841 -8.4841 -8.2972 -8.2972 -8.2699 -8.2699 3.7825 3.7825 3.9173 3.9173 4.5451 4.5451 4.6591 4.6591 4.7528 4.7528 5.0220 5.0220 5.2459 5.2459 5.5251 5.5251 5.7679 5.7679 6.4150 6.4150 6.5400 6.5400 6.6132 6.6132 12.3983 12.3983 12.6371 12.6371 12.7299 12.7299 12.9847 12.9847 13.0282 13.0282 k = 0.0000 0.0000 0.5702 ( 9708 PWs) bands (ev): -39.7980 -39.7980 -39.7510 -39.7510 -35.9482 -35.9482 -35.9421 -35.9421 -18.9776 -18.9776 -18.8734 -18.8734 -18.5007 -18.5007 -18.4709 -18.4709 -18.2755 -18.2755 -18.1941 -18.1941 -8.8240 -8.8240 -8.4714 -8.4714 -8.2881 -8.2881 -8.2618 -8.2618 3.7542 3.7542 3.8870 3.8870 4.5633 4.5633 4.6418 4.6418 4.6994 4.6994 4.9695 4.9695 5.2239 5.2239 5.5079 5.5079 5.7568 5.7568 6.3971 6.3971 6.5679 6.5679 6.6274 6.6274 12.4283 12.4283 12.6671 12.6671 12.7953 12.7953 13.0035 13.0035 13.0366 13.0366 k = 0.0000 0.0000 0.5875 ( 9714 PWs) bands (ev): -39.7969 -39.7969 -39.7519 -39.7519 -35.9481 -35.9481 -35.9422 -35.9422 -18.9782 -18.9782 -18.8790 -18.8790 -18.5023 -18.5023 -18.4748 -18.4748 -18.2747 -18.2747 -18.1954 -18.1954 -8.7976 -8.7976 -8.4592 -8.4592 -8.2792 -8.2792 -8.2539 -8.2539 3.7273 3.7273 3.8576 3.8576 4.5808 4.5808 4.6236 4.6236 4.6488 4.6488 4.9147 4.9147 5.2021 5.2021 5.4946 5.4946 5.7453 5.7453 6.3705 6.3705 6.5979 6.5979 6.6501 6.6501 12.4590 12.4590 12.6971 12.6971 12.8596 12.8596 13.0213 13.0213 13.0449 13.0449 k = 0.0000 0.0000 0.6047 ( 9706 PWs) bands (ev): -39.7958 -39.7958 -39.7528 -39.7528 -35.9479 -35.9479 -35.9423 -35.9423 -18.9787 -18.9787 -18.8846 -18.8846 -18.5040 -18.5040 -18.4786 -18.4786 -18.2736 -18.2736 -18.1969 -18.1969 -8.7715 -8.7715 -8.4475 -8.4475 -8.2705 -8.2705 -8.2461 -8.2461 3.7018 3.7018 3.8293 3.8293 4.5929 4.5929 4.5967 4.5967 4.6134 4.6134 4.8588 4.8588 5.1816 5.1816 5.4844 5.4844 5.7335 5.7335 6.3383 6.3383 6.6295 6.6295 6.6776 6.6776 12.4903 12.4903 12.7270 12.7270 12.9224 12.9224 13.0375 13.0375 13.0536 13.0536 k = 0.0000 0.0000 0.6220 ( 9714 PWs) bands (ev): -39.7947 -39.7947 -39.7538 -39.7538 -35.9478 -35.9478 -35.9424 -35.9424 -18.9791 -18.9791 -18.8900 -18.8900 -18.5057 -18.5057 -18.4823 -18.4823 -18.2725 -18.2725 -18.1984 -18.1984 -8.7457 -8.7457 -8.4366 -8.4366 -8.2619 -8.2619 -8.2386 -8.2386 3.6777 3.6777 3.8021 3.8021 4.5469 4.5469 4.5936 4.5936 4.6132 4.6132 4.8026 4.8026 5.1631 5.1631 5.4767 5.4767 5.7215 5.7215 6.3026 6.3026 6.6621 6.6621 6.7079 6.7079 12.5222 12.5222 12.7567 12.7567 12.9836 12.9836 13.0504 13.0504 13.0646 13.0646 k = 0.0000 0.0000 0.6393 ( 9718 PWs) bands (ev): -39.7935 -39.7935 -39.7547 -39.7547 -35.9476 -35.9476 -35.9425 -35.9425 -18.9794 -18.9794 -18.8954 -18.8954 -18.5073 -18.5073 -18.4858 -18.4858 -18.2712 -18.2712 -18.2000 -18.2000 -8.7202 -8.7202 -8.4263 -8.4263 -8.2536 -8.2536 -8.2314 -8.2314 3.6552 3.6552 3.7760 3.7760 4.5015 4.5015 4.5780 4.5780 4.6255 4.6255 4.7467 4.7467 5.1478 5.1478 5.4710 5.4710 5.7093 5.7093 6.2645 6.2645 6.6954 6.6954 6.7395 6.7395 12.5544 12.5544 12.7862 12.7862 13.0412 13.0412 13.0600 13.0600 13.0793 13.0793 k = 0.0000 0.0000 0.6566 ( 9714 PWs) bands (ev): -39.7924 -39.7924 -39.7557 -39.7557 -35.9475 -35.9475 -35.9426 -35.9426 -18.9796 -18.9796 -18.9006 -18.9006 -18.5090 -18.5090 -18.4892 -18.4892 -18.2698 -18.2698 -18.2017 -18.2017 -8.6952 -8.6952 -8.4168 -8.4168 -8.2456 -8.2456 -8.2245 -8.2245 3.6343 3.6343 3.7510 3.7510 4.4580 4.4580 4.5631 4.5631 4.6352 4.6352 4.6917 4.6917 5.1365 5.1365 5.4669 5.4669 5.6969 5.6969 6.2247 6.2247 6.7289 6.7289 6.7716 6.7716 12.5867 12.5867 12.8153 12.8153 13.0633 13.0633 13.0870 13.0870 13.1089 13.1089 k = 0.0000 0.0000 0.6739 ( 9702 PWs) bands (ev): -39.7912 -39.7912 -39.7567 -39.7567 -35.9473 -35.9473 -35.9428 -35.9428 -18.9797 -18.9797 -18.9057 -18.9057 -18.5106 -18.5106 -18.4925 -18.4925 -18.2683 -18.2683 -18.2035 -18.2035 -8.6707 -8.6707 -8.4081 -8.4081 -8.2379 -8.2379 -8.2179 -8.2179 3.6149 3.6149 3.7272 3.7272 4.4168 4.4168 4.5491 4.5491 4.6380 4.6380 4.6417 4.6417 5.1299 5.1299 5.4642 5.4642 5.6845 5.6845 6.1836 6.1836 6.7624 6.7624 6.8037 6.8037 12.6191 12.6191 12.8439 12.8439 13.0684 13.0684 13.1035 13.1035 13.1625 13.1625 k = 0.0000 0.0000 0.6911 ( 9706 PWs) bands (ev): -39.7901 -39.7901 -39.7577 -39.7577 -35.9472 -35.9472 -35.9429 -35.9429 -18.9796 -18.9796 -18.9107 -18.9107 -18.5121 -18.5121 -18.4956 -18.4956 -18.2667 -18.2667 -18.2053 -18.2053 -8.6468 -8.6468 -8.4003 -8.4003 -8.2304 -8.2304 -8.2116 -8.2116 3.5972 3.5972 3.7045 3.7045 4.3780 4.3780 4.5360 4.5360 4.5861 4.5861 4.6443 4.6443 5.1288 5.1288 5.4626 5.4626 5.6720 5.6720 6.1416 6.1416 6.7953 6.7953 6.8351 6.8351 12.6514 12.6514 12.8718 12.8718 13.0720 13.0720 13.1169 13.1169 13.2170 13.2170 k = 0.0000 0.0000 0.7084 ( 9702 PWs) bands (ev): -39.7889 -39.7889 -39.7587 -39.7587 -35.9470 -35.9470 -35.9430 -35.9430 -18.9795 -18.9795 -18.9155 -18.9155 -18.5136 -18.5136 -18.4986 -18.4986 -18.2649 -18.2649 -18.2072 -18.2072 -8.6235 -8.6235 -8.3934 -8.3934 -8.2233 -8.2233 -8.2058 -8.2058 3.5810 3.5810 3.6831 3.6831 4.3419 4.3419 4.5237 4.5237 4.5365 4.5365 4.6431 4.6431 5.1334 5.1334 5.4620 5.4620 5.6596 5.6596 6.0987 6.0987 6.8276 6.8276 6.8657 6.8657 12.6833 12.6833 12.8991 12.8991 13.0746 13.0746 13.1288 13.1288 13.2701 13.2701 k = 0.0000 0.0000 0.7257 ( 9698 PWs) bands (ev): -39.7877 -39.7877 -39.7597 -39.7597 -35.9469 -35.9469 -35.9431 -35.9431 -18.9792 -18.9792 -18.9202 -18.9202 -18.5150 -18.5150 -18.5014 -18.5014 -18.2631 -18.2631 -18.2092 -18.2092 -8.6010 -8.6010 -8.3875 -8.3875 -8.2166 -8.2166 -8.2003 -8.2003 3.5665 3.5665 3.6628 3.6628 4.3084 4.3084 4.4880 4.4880 4.5136 4.5136 4.6382 4.6382 5.1435 5.1435 5.4623 5.4623 5.6472 5.6472 6.0552 6.0552 6.8587 6.8587 6.8950 6.8950 12.7147 12.7147 12.9255 12.9255 13.0762 13.0762 13.1394 13.1394 13.3212 13.3212 k = 0.0000 0.0000 0.7430 ( 9690 PWs) bands (ev): -39.7865 -39.7865 -39.7608 -39.7608 -35.9467 -35.9467 -35.9433 -35.9433 -18.9787 -18.9787 -18.9247 -18.9247 -18.5163 -18.5163 -18.5041 -18.5041 -18.2612 -18.2612 -18.2113 -18.2113 -8.5793 -8.5793 -8.3827 -8.3827 -8.2102 -8.2102 -8.1952 -8.1952 3.5537 3.5537 3.6438 3.6438 4.2778 4.2778 4.4429 4.4429 4.5040 4.5040 4.6302 4.6302 5.1589 5.1589 5.4634 5.4634 5.6350 5.6350 6.0113 6.0113 6.8886 6.8886 6.9228 6.9228 12.7455 12.7455 12.9510 12.9510 13.0767 13.0767 13.1487 13.1487 13.3704 13.3704 k = 0.0000 0.0000 0.7603 ( 9702 PWs) bands (ev): -39.7853 -39.7853 -39.7619 -39.7619 -35.9465 -35.9465 -35.9434 -35.9434 -18.9781 -18.9781 -18.9290 -18.9290 -18.5175 -18.5175 -18.5066 -18.5066 -18.2592 -18.2592 -18.2134 -18.2134 -8.5584 -8.5584 -8.3789 -8.3789 -8.2043 -8.2043 -8.1906 -8.1906 3.5425 3.5425 3.6261 3.6261 4.2500 4.2500 4.4003 4.4003 4.4957 4.4957 4.6196 4.6196 5.1790 5.1790 5.4654 5.4654 5.6229 5.6229 5.9670 5.9670 6.9169 6.9169 6.9488 6.9488 12.7755 12.7755 12.9755 12.9755 13.0762 13.0762 13.1566 13.1566 13.4174 13.4174 k = 0.0000 0.0000 0.7775 ( 9708 PWs) bands (ev): -39.7841 -39.7841 -39.7630 -39.7630 -35.9464 -35.9464 -35.9436 -35.9436 -18.9773 -18.9773 -18.9332 -18.9332 -18.5185 -18.5185 -18.5089 -18.5089 -18.2571 -18.2571 -18.2155 -18.2155 -8.5384 -8.5384 -8.3763 -8.3763 -8.1988 -8.1988 -8.1864 -8.1864 3.5329 3.5329 3.6095 3.6095 4.2252 4.2252 4.3606 4.3606 4.4889 4.4889 4.6073 4.6073 5.2031 5.2031 5.4680 5.4680 5.6111 5.6111 5.9224 5.9224 6.9434 6.9434 6.9728 6.9728 12.8045 12.8045 12.9989 12.9989 13.0746 13.0746 13.1630 13.1630 13.4621 13.4621 k = 0.0000 0.0000 0.7948 ( 9706 PWs) bands (ev): -39.7829 -39.7829 -39.7641 -39.7641 -35.9462 -35.9462 -35.9437 -35.9437 -18.9764 -18.9764 -18.9372 -18.9372 -18.5195 -18.5195 -18.5110 -18.5110 -18.2550 -18.2550 -18.2177 -18.2177 -8.5194 -8.5194 -8.3748 -8.3748 -8.1938 -8.1938 -8.1827 -8.1827 3.5249 3.5249 3.5942 3.5942 4.2035 4.2035 4.3238 4.3238 4.4836 4.4836 4.5938 4.5938 5.2307 5.2307 5.4713 5.4713 5.5995 5.5995 5.8777 5.8777 6.9680 6.9680 6.9947 6.9947 12.8323 12.8323 13.0211 13.0211 13.0719 13.0719 13.1678 13.1678 13.5045 13.5045 k = 0.0000 0.0000 0.8121 ( 9718 PWs) bands (ev): -39.7817 -39.7817 -39.7652 -39.7652 -35.9460 -35.9460 -35.9438 -35.9438 -18.9754 -18.9754 -18.9411 -18.9411 -18.5202 -18.5202 -18.5129 -18.5129 -18.2528 -18.2528 -18.2199 -18.2199 -8.5014 -8.5014 -8.3745 -8.3745 -8.1892 -8.1892 -8.1794 -8.1794 3.5186 3.5186 3.5801 3.5801 4.1850 4.1850 4.2902 4.2902 4.4798 4.4798 4.5797 4.5797 5.2612 5.2612 5.4752 5.4752 5.5882 5.5882 5.8329 5.8329 6.9903 6.9903 7.0141 7.0141 12.8589 12.8589 13.0420 13.0420 13.0680 13.0680 13.1711 13.1711 13.5444 13.5444 k = 0.0000 0.0000 0.8294 ( 9710 PWs) bands (ev): -39.7805 -39.7805 -39.7663 -39.7663 -35.9459 -35.9459 -35.9440 -35.9440 -18.9741 -18.9741 -18.9447 -18.9447 -18.5209 -18.5209 -18.5147 -18.5147 -18.2505 -18.2505 -18.2222 -18.2222 -8.4845 -8.4845 -8.3754 -8.3754 -8.1851 -8.1851 -8.1767 -8.1767 3.5138 3.5138 3.5673 3.5673 4.1698 4.1698 4.2598 4.2598 4.4775 4.4775 4.5656 4.5656 5.2942 5.2942 5.4798 5.4798 5.5772 5.5772 5.7882 5.7882 7.0103 7.0103 7.0311 7.0311 12.8841 12.8841 13.0611 13.0611 13.0633 13.0633 13.1728 13.1728 13.5817 13.5817 k = 0.0000 0.0000 0.8466 ( 9712 PWs) bands (ev): -39.7793 -39.7793 -39.7674 -39.7674 -35.9457 -35.9457 -35.9441 -35.9441 -18.9727 -18.9727 -18.9482 -18.9482 -18.5214 -18.5214 -18.5163 -18.5163 -18.2482 -18.2482 -18.2245 -18.2245 -8.4687 -8.4687 -8.3775 -8.3775 -8.1815 -8.1815 -8.1745 -8.1745 3.5106 3.5106 3.5557 3.5557 4.1578 4.1578 4.2328 4.2328 4.4767 4.4767 4.5518 4.5518 5.3292 5.3292 5.4850 5.4850 5.5665 5.5665 5.7436 5.7436 7.0278 7.0278 7.0453 7.0453 12.9078 12.9078 13.0562 13.0562 13.0798 13.0798 13.1728 13.1728 13.6163 13.6163 k = 0.0000 0.0000 0.8639 ( 9710 PWs) bands (ev): -39.7781 -39.7781 -39.7686 -39.7686 -35.9455 -35.9455 -35.9443 -35.9443 -18.9711 -18.9711 -18.9515 -18.9515 -18.5217 -18.5217 -18.5176 -18.5176 -18.2459 -18.2459 -18.2269 -18.2269 -8.4540 -8.4540 -8.3810 -8.3810 -8.1784 -8.1784 -8.1728 -8.1728 3.5089 3.5089 3.5453 3.5453 4.1493 4.1493 4.2093 4.2093 4.4776 4.4776 4.5387 4.5387 5.3660 5.3660 5.4908 5.4908 5.5563 5.5563 5.6992 5.6992 7.0426 7.0426 7.0568 7.0568 12.9300 12.9300 13.0484 13.0484 13.0965 13.0965 13.1711 13.1711 13.6482 13.6482 k = 0.0000 0.0000 0.8812 ( 9714 PWs) bands (ev): -39.7769 -39.7769 -39.7698 -39.7698 -35.9454 -35.9454 -35.9444 -35.9444 -18.9693 -18.9693 -18.9546 -18.9546 -18.5218 -18.5218 -18.5188 -18.5188 -18.2436 -18.2436 -18.2292 -18.2292 -8.4405 -8.4405 -8.3856 -8.3856 -8.1758 -8.1758 -8.1716 -8.1716 3.5087 3.5087 3.5362 3.5362 4.1443 4.1443 4.1892 4.1892 4.4801 4.4801 4.5264 4.5264 5.4043 5.4043 5.4972 5.4972 5.5464 5.5464 5.6552 5.6552 7.0547 7.0547 7.0654 7.0654 12.9505 12.9505 13.0391 13.0391 13.1116 13.1116 13.1677 13.1677 13.6773 13.6773 k = 0.0000 0.0000 0.8985 ( 9710 PWs) bands (ev): -39.7757 -39.7757 -39.7709 -39.7709 -35.9452 -35.9452 -35.9446 -35.9446 -18.9673 -18.9673 -18.9575 -18.9575 -18.5218 -18.5218 -18.5198 -18.5198 -18.2412 -18.2412 -18.2316 -18.2316 -8.4282 -8.4282 -8.3916 -8.3916 -8.1738 -8.1738 -8.1710 -8.1710 3.5099 3.5099 3.5283 3.5283 4.1428 4.1428 4.1727 4.1727 4.4841 4.4841 4.5153 4.5153 5.4438 5.4438 5.5041 5.5041 5.5371 5.5371 5.6116 5.6116 7.0639 7.0639 7.0711 7.0711 12.9694 12.9694 13.0284 13.0284 13.1251 13.1251 13.1626 13.1626 13.7034 13.7034 k = 0.0000 0.0000 0.9158 ( 9714 PWs) bands (ev): -39.7745 -39.7745 -39.7721 -39.7721 -35.9451 -35.9451 -35.9448 -35.9448 -18.9651 -18.9651 -18.9603 -18.9603 -18.5216 -18.5216 -18.5206 -18.5206 -18.2388 -18.2388 -18.2340 -18.2340 -8.4172 -8.4172 -8.3988 -8.3988 -8.1723 -8.1723 -8.1709 -8.1709 3.5125 3.5125 3.5217 3.5217 4.1449 4.1449 4.1598 4.1598 4.4897 4.4897 4.5054 4.5054 5.4844 5.4844 5.5114 5.5114 5.5282 5.5282 5.5687 5.5687 7.0702 7.0702 7.0738 7.0738 12.9866 12.9866 13.0160 13.0160 13.1370 13.1370 13.1558 13.1558 13.7265 13.7266 k = 0.0000 0.0000 0.9330 ( 9718 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9628 -18.9628 -18.9628 -18.9628 -18.5212 -18.5212 -18.5212 -18.5212 -18.2364 -18.2364 -18.2364 -18.2364 -8.4074 -8.4074 -8.4074 -8.4074 -8.1713 -8.1713 -8.1713 -8.1713 3.5164 3.5164 3.5164 3.5164 4.1505 4.1505 4.1505 4.1505 4.4968 4.4968 4.4968 4.4968 5.5185 5.5185 5.5185 5.5185 5.5272 5.5272 5.5272 5.5272 7.0735 7.0735 7.0735 7.0735 13.0021 13.0021 13.0021 13.0021 13.1473 13.1473 13.1473 13.1473 13.7465 13.7465 k = 0.0000 0.0000 0.9330 ( 9718 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9628 -18.9628 -18.9628 -18.9628 -18.5212 -18.5212 -18.5212 -18.5212 -18.2364 -18.2364 -18.2364 -18.2364 -8.4074 -8.4074 -8.4074 -8.4074 -8.1713 -8.1713 -8.1713 -8.1713 3.5164 3.5164 3.5164 3.5164 4.1505 4.1505 4.1505 4.1505 4.4968 4.4968 4.4968 4.4968 5.5185 5.5185 5.5185 5.5185 5.5272 5.5272 5.5272 5.5272 7.0735 7.0735 7.0735 7.0735 13.0021 13.0021 13.0021 13.0021 13.1473 13.1473 13.1473 13.1473 13.7465 13.7465 k =-0.0092 0.0144 0.9330 ( 9706 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9631 -18.9631 -18.9623 -18.9623 -18.5225 -18.5225 -18.5195 -18.5195 -18.2376 -18.2376 -18.2353 -18.2353 -8.4078 -8.4078 -8.4074 -8.4074 -8.1720 -8.1720 -8.1718 -8.1718 3.5175 3.5175 3.5176 3.5176 4.1504 4.1504 4.1507 4.1507 4.4983 4.4983 4.4990 4.4990 5.5136 5.5136 5.5182 5.5182 5.5278 5.5278 5.5327 5.5327 7.0723 7.0723 7.0723 7.0723 12.9947 12.9947 12.9954 12.9954 13.1522 13.1522 13.1533 13.1533 13.7445 13.7446 k =-0.0183 0.0289 0.9330 ( 9712 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9632 -18.9632 -18.9616 -18.9616 -18.5237 -18.5237 -18.5177 -18.5177 -18.2388 -18.2388 -18.2342 -18.2342 -8.4089 -8.4089 -8.4081 -8.4081 -8.1740 -8.1740 -8.1735 -8.1735 3.5207 3.5207 3.5210 3.5210 4.1505 4.1505 4.1510 4.1510 4.5036 4.5036 4.5049 4.5049 5.5084 5.5084 5.5135 5.5135 5.5338 5.5338 5.5394 5.5394 7.0689 7.0689 7.0689 7.0689 12.9757 12.9757 12.9769 12.9769 13.1659 13.1659 13.1679 13.1679 13.7385 13.7389 k =-0.0275 0.0433 0.9330 ( 9714 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9631 -18.9631 -18.9608 -18.9608 -18.5247 -18.5247 -18.5157 -18.5157 -18.2401 -18.2401 -18.2332 -18.2332 -8.4104 -8.4104 -8.4092 -8.4092 -8.1772 -8.1772 -8.1765 -8.1765 3.5262 3.5262 3.5266 3.5266 4.1507 4.1507 4.1515 4.1515 4.5124 4.5124 4.5144 4.5144 5.5035 5.5035 5.5085 5.5085 5.5409 5.5409 5.5467 5.5467 7.0631 7.0631 7.0631 7.0631 12.9494 12.9494 12.9508 12.9508 13.1842 13.1842 13.1867 13.1867 13.7288 13.7296 k =-0.0366 0.0577 0.9330 ( 9726 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9629 -18.9629 -18.9597 -18.9597 -18.5254 -18.5254 -18.5134 -18.5134 -18.2414 -18.2414 -18.2322 -18.2322 -8.4126 -8.4126 -8.4109 -8.4109 -8.1816 -8.1816 -8.1807 -8.1807 3.5338 3.5338 3.5344 3.5344 4.1511 4.1511 4.1521 4.1521 4.5248 4.5248 4.5274 4.5274 5.4988 5.4988 5.5037 5.5037 5.5487 5.5487 5.5547 5.5547 7.0552 7.0552 7.0552 7.0552 12.9184 12.9184 12.9199 12.9199 13.2042 13.2042 13.2071 13.2071 13.7152 13.7158 k =-0.0458 0.0721 0.9330 ( 9712 PWs) bands (ev): -39.7734 -39.7734 -39.7734 -39.7734 -35.9449 -35.9449 -35.9449 -35.9449 -18.9624 -18.9624 -18.9585 -18.9585 -18.5259 -18.5259 -18.5109 -18.5109 -18.2427 -18.2427 -18.2312 -18.2312 -8.4152 -8.4152 -8.4131 -8.4131 -8.1871 -8.1871 -8.1861 -8.1861 3.5436 3.5436 3.5443 3.5443 4.1520 4.1520 4.1532 4.1532 4.5407 4.5407 4.5438 4.5438 5.4944 5.4944 5.4992 5.4992 5.5572 5.5572 5.5633 5.5633 7.0451 7.0451 7.0451 7.0451 12.8842 12.8842 12.8856 12.8856 13.2245 13.2245 13.2278 13.2278 13.6981 13.6987 k =-0.0549 0.0866 0.9330 ( 9712 PWs) bands (ev): -39.7734 -39.7734 -39.7734 -39.7734 -35.9449 -35.9449 -35.9449 -35.9449 -18.9618 -18.9618 -18.9571 -18.9571 -18.5262 -18.5262 -18.5082 -18.5082 -18.2441 -18.2441 -18.2303 -18.2303 -8.4184 -8.4184 -8.4159 -8.4159 -8.1939 -8.1939 -8.1926 -8.1926 3.5555 3.5555 3.5563 3.5563 4.1533 4.1533 4.1546 4.1546 4.5597 4.5597 4.5634 4.5634 5.4903 5.4903 5.4949 5.4949 5.5662 5.5662 5.5725 5.5725 7.0328 7.0328 7.0328 7.0328 12.8475 12.8475 12.8489 12.8489 13.2444 13.2444 13.2480 13.2480 13.6775 13.6791 k =-0.0641 0.1010 0.9330 ( 9706 PWs) bands (ev): -39.7734 -39.7734 -39.7734 -39.7734 -35.9449 -35.9449 -35.9449 -35.9449 -18.9609 -18.9609 -18.9555 -18.9555 -18.5263 -18.5263 -18.5054 -18.5054 -18.2455 -18.2455 -18.2295 -18.2295 -8.4221 -8.4221 -8.4192 -8.4192 -8.2018 -8.2018 -8.2003 -8.2003 3.5694 3.5694 3.5704 3.5704 4.1553 4.1553 4.1567 4.1567 4.5820 4.5820 4.5860 4.5860 5.4865 5.4865 5.4909 5.4909 5.5759 5.5759 5.5823 5.5823 7.0187 7.0187 7.0187 7.0187 12.8087 12.8087 12.8100 12.8100 13.2635 13.2635 13.2674 13.2674 13.6540 13.6555 k =-0.0732 0.1154 0.9330 ( 9694 PWs) bands (ev): -39.7735 -39.7735 -39.7735 -39.7735 -35.9450 -35.9450 -35.9450 -35.9450 -18.9599 -18.9599 -18.9538 -18.9538 -18.5262 -18.5262 -18.5023 -18.5023 -18.2470 -18.2470 -18.2287 -18.2287 -8.4263 -8.4263 -8.4230 -8.4230 -8.2108 -8.2108 -8.2090 -8.2090 3.5853 3.5853 3.5865 3.5865 4.1580 4.1580 4.1594 4.1594 4.6071 4.6071 4.6116 4.6116 5.4829 5.4829 5.4871 5.4871 5.5863 5.5863 5.5927 5.5927 7.0026 7.0026 7.0026 7.0026 12.7681 12.7681 12.7693 12.7693 13.2816 13.2816 13.2858 13.2858 13.6268 13.6280 k =-0.0824 0.1298 0.9330 ( 9702 PWs) bands (ev): -39.7735 -39.7735 -39.7735 -39.7735 -35.9450 -35.9450 -35.9450 -35.9450 -18.9587 -18.9587 -18.9519 -18.9519 -18.5258 -18.5258 -18.4990 -18.4990 -18.2486 -18.2486 -18.2279 -18.2279 -8.4310 -8.4310 -8.4273 -8.4273 -8.2209 -8.2209 -8.2189 -8.2189 3.6032 3.6032 3.6045 3.6045 4.1614 4.1614 4.1628 4.1628 4.6351 4.6351 4.6399 4.6399 5.4794 5.4794 5.4835 5.4835 5.5973 5.5973 5.6038 5.6038 6.9848 6.9848 6.9848 6.9848 12.7259 12.7259 12.7270 12.7270 13.2985 13.2985 13.3032 13.3032 13.5972 13.5990 k =-0.0916 0.1443 0.9330 ( 9698 PWs) bands (ev): -39.7736 -39.7736 -39.7736 -39.7736 -35.9450 -35.9450 -35.9450 -35.9450 -18.9574 -18.9574 -18.9498 -18.9498 -18.5253 -18.5253 -18.4955 -18.4955 -18.2502 -18.2502 -18.2272 -18.2272 -8.4361 -8.4361 -8.4320 -8.4320 -8.2320 -8.2320 -8.2297 -8.2297 3.6229 3.6229 3.6243 3.6243 4.1657 4.1657 4.1670 4.1670 4.6658 4.6658 4.6709 4.6709 5.4762 5.4762 5.4801 5.4801 5.6088 5.6088 5.6154 5.6154 6.9654 6.9654 6.9654 6.9654 12.6822 12.6822 12.6833 12.6833 13.3142 13.3142 13.3193 13.3193 13.5648 13.5680 k =-0.1007 0.1587 0.9330 ( 9700 PWs) bands (ev): -39.7737 -39.7737 -39.7737 -39.7737 -35.9450 -35.9450 -35.9450 -35.9450 -18.9558 -18.9558 -18.9476 -18.9476 -18.5246 -18.5246 -18.4918 -18.4918 -18.2518 -18.2518 -18.2265 -18.2265 -8.4418 -8.4418 -8.4373 -8.4373 -8.2440 -8.2440 -8.2415 -8.2415 3.6443 3.6443 3.6459 3.6459 4.1708 4.1708 4.1721 4.1721 4.6991 4.6991 4.7044 4.7044 5.4732 5.4732 5.4769 5.4769 5.6210 5.6210 5.6277 5.6277 6.9446 6.9446 6.9446 6.9446 12.6372 12.6372 12.6382 12.6382 13.3285 13.3285 13.3342 13.3342 13.5311 13.5333 k =-0.1007 0.1587 0.9330 ( 9700 PWs) bands (ev): -39.7737 -39.7737 -39.7737 -39.7737 -35.9450 -35.9450 -35.9450 -35.9450 -18.9558 -18.9558 -18.9476 -18.9476 -18.5246 -18.5246 -18.4918 -18.4918 -18.2518 -18.2518 -18.2265 -18.2265 -8.4418 -8.4418 -8.4373 -8.4373 -8.2440 -8.2440 -8.2415 -8.2415 3.6443 3.6443 3.6459 3.6459 4.1708 4.1708 4.1721 4.1721 4.6991 4.6991 4.7044 4.7044 5.4732 5.4732 5.4769 5.4769 5.6210 5.6210 5.6277 5.6277 6.9446 6.9446 6.9446 6.9446 12.6372 12.6372 12.6382 12.6382 13.3285 13.3285 13.3342 13.3342 13.5310 13.5328 k =-0.1074 0.1692 0.9206 ( 9700 PWs) bands (ev): -39.7745 -39.7745 -39.7729 -39.7729 -35.9451 -35.9451 -35.9449 -35.9449 -18.9549 -18.9549 -18.9455 -18.9455 -18.5239 -18.5239 -18.4890 -18.4890 -18.2531 -18.2531 -18.2259 -18.2259 -8.4522 -8.4522 -8.4364 -8.4364 -8.2543 -8.2543 -8.2494 -8.2494 3.6609 3.6609 3.6632 3.6632 4.1711 4.1711 4.1814 4.1814 4.7078 4.7078 4.7486 4.7486 5.4644 5.4644 5.4808 5.4808 5.6077 5.6077 5.6606 5.6606 6.9267 6.9267 6.9291 6.9291 12.5830 12.5830 12.6250 12.6250 13.3362 13.3362 13.3450 13.3450 13.4940 13.4941 k =-0.1140 0.1796 0.9082 ( 9700 PWs) bands (ev): -39.7754 -39.7754 -39.7722 -39.7722 -35.9452 -35.9452 -35.9448 -35.9448 -18.9542 -18.9542 -18.9429 -18.9429 -18.5229 -18.5229 -18.4861 -18.4861 -18.2546 -18.2546 -18.2252 -18.2252 -8.4659 -8.4659 -8.4349 -8.4349 -8.2655 -8.2655 -8.2564 -8.2564 3.6778 3.6778 3.6829 3.6829 4.1706 4.1706 4.1942 4.1942 4.7143 4.7143 4.8002 4.8002 5.4543 5.4543 5.4851 5.4851 5.5926 5.5926 5.6979 5.6979 6.9067 6.9067 6.9116 6.9116 12.5265 12.5265 12.6124 12.6124 13.3403 13.3403 13.3556 13.3556 13.4556 13.4557 k =-0.1207 0.1901 0.8958 ( 9704 PWs) bands (ev): -39.7762 -39.7762 -39.7714 -39.7714 -35.9454 -35.9454 -35.9447 -35.9447 -18.9536 -18.9536 -18.9399 -18.9399 -18.5218 -18.5218 -18.4830 -18.4830 -18.2563 -18.2563 -18.2244 -18.2244 -8.4812 -8.4812 -8.4347 -8.4347 -8.2768 -8.2768 -8.2628 -8.2628 3.6949 3.6949 3.7049 3.7049 4.1700 4.1700 4.2100 4.2100 4.7210 4.7210 4.8566 4.8566 5.4444 5.4444 5.4887 5.4887 5.5786 5.5786 5.7362 5.7362 6.8849 6.8849 6.8921 6.8921 12.4686 12.4686 12.6001 12.6001 13.3415 13.3415 13.3628 13.3628 13.4199 13.4199 k =-0.1273 0.2006 0.8834 ( 9710 PWs) bands (ev): -39.7770 -39.7770 -39.7707 -39.7707 -35.9455 -35.9455 -35.9446 -35.9446 -18.9531 -18.9531 -18.9367 -18.9367 -18.5204 -18.5204 -18.4798 -18.4798 -18.2581 -18.2581 -18.2235 -18.2235 -8.4980 -8.4980 -8.4363 -8.4363 -8.2876 -8.2876 -8.2687 -8.2687 3.7123 3.7123 3.7288 3.7288 4.1693 4.1693 4.2283 4.2283 4.7280 4.7280 4.9173 4.9173 5.4351 5.4351 5.4917 5.4917 5.5657 5.5657 5.7749 5.7749 6.8612 6.8612 6.8708 6.8708 12.4095 12.4095 12.5880 12.5880 13.3385 13.3385 13.3551 13.3551 13.4002 13.4002 k =-0.1340 0.2111 0.8709 ( 9709 PWs) bands (ev): -39.7778 -39.7778 -39.7701 -39.7701 -35.9456 -35.9456 -35.9445 -35.9445 -18.9525 -18.9525 -18.9334 -18.9334 -18.5188 -18.5188 -18.4764 -18.4764 -18.2600 -18.2600 -18.2225 -18.2225 -8.5162 -8.5162 -8.4400 -8.4400 -8.2974 -8.2974 -8.2740 -8.2740 3.7298 3.7298 3.7547 3.7547 4.1686 4.1686 4.2489 4.2489 4.7355 4.7355 4.9816 4.9816 5.4265 5.4265 5.4941 5.4941 5.5540 5.5540 5.8138 5.8138 6.8358 6.8358 6.8478 6.8478 12.3498 12.3498 12.5762 12.5762 13.3152 13.3152 13.3423 13.3423 13.4026 13.4026 k =-0.1406 0.2216 0.8585 ( 9706 PWs) bands (ev): -39.7786 -39.7786 -39.7694 -39.7694 -35.9457 -35.9457 -35.9445 -35.9445 -18.9518 -18.9518 -18.9300 -18.9300 -18.5171 -18.5171 -18.4730 -18.4730 -18.2620 -18.2620 -18.2215 -18.2215 -8.5356 -8.5356 -8.4461 -8.4461 -8.3058 -8.3058 -8.2787 -8.2787 3.7473 3.7473 3.7823 3.7823 4.1682 4.1682 4.2716 4.2716 4.7437 4.7437 5.0489 5.0489 5.4191 5.4191 5.4959 5.4959 5.5433 5.5433 5.8525 5.8525 6.8089 6.8089 6.8234 6.8234 12.2898 12.2898 12.5647 12.5647 13.2767 13.2767 13.3364 13.3364 13.4078 13.4080 k =-0.1473 0.2321 0.8461 ( 9704 PWs) bands (ev): -39.7794 -39.7794 -39.7688 -39.7688 -35.9458 -35.9458 -35.9444 -35.9444 -18.9511 -18.9511 -18.9265 -18.9265 -18.5151 -18.5151 -18.4695 -18.4695 -18.2640 -18.2640 -18.2205 -18.2205 -8.5561 -8.5561 -8.4549 -8.4549 -8.3125 -8.3125 -8.2828 -8.2828 3.7648 3.7648 3.8115 3.8115 4.1680 4.1680 4.2959 4.2959 4.7526 4.7526 5.1176 5.1176 5.4140 5.4140 5.4972 5.4972 5.5337 5.5337 5.8908 5.8908 6.7806 6.7806 6.7976 6.7976 12.2300 12.2300 12.5536 12.5536 13.2360 13.2360 13.3294 13.3295 13.3934 13.3937 k =-0.1540 0.2426 0.8337 ( 9703 PWs) bands (ev): -39.7802 -39.7802 -39.7682 -39.7682 -35.9459 -35.9459 -35.9443 -35.9443 -18.9503 -18.9503 -18.9231 -18.9231 -18.5129 -18.5129 -18.4660 -18.4660 -18.2661 -18.2661 -18.2195 -18.2195 -8.5775 -8.5775 -8.4661 -8.4661 -8.3173 -8.3173 -8.2865 -8.2865 3.7820 3.7820 3.8421 3.8421 4.1683 4.1683 4.3216 4.3216 4.7626 4.7626 5.1853 5.1853 5.4130 5.4130 5.4978 5.4978 5.5253 5.5253 5.9285 5.9285 6.7511 6.7511 6.7707 6.7707 12.1709 12.1709 12.5428 12.5428 13.1951 13.1951 13.3204 13.3204 13.3719 13.3721 k =-0.1606 0.2530 0.8213 ( 9707 PWs) bands (ev): -39.7809 -39.7809 -39.7676 -39.7676 -35.9460 -35.9460 -35.9442 -35.9442 -18.9495 -18.9495 -18.9196 -18.9196 -18.5105 -18.5105 -18.4624 -18.4624 -18.2682 -18.2682 -18.2185 -18.2185 -8.5996 -8.5996 -8.4797 -8.4797 -8.3205 -8.3205 -8.2896 -8.2896 3.7989 3.7989 3.8740 3.8740 4.1693 4.1693 4.3482 4.3482 4.7738 4.7738 5.2461 5.2461 5.4209 5.4209 5.4978 5.4978 5.5186 5.5186 5.9651 5.9651 6.7205 6.7205 6.7430 6.7430 12.1127 12.1127 12.5325 12.5325 13.1546 13.1546 13.3083 13.3083 13.3517 13.3517 k =-0.1673 0.2635 0.8089 ( 9717 PWs) bands (ev): -39.7816 -39.7816 -39.7670 -39.7670 -35.9461 -35.9461 -35.9442 -35.9442 -18.9486 -18.9486 -18.9161 -18.9161 -18.5080 -18.5080 -18.4587 -18.4587 -18.2704 -18.2704 -18.2175 -18.2175 -8.6221 -8.6221 -8.4950 -8.4950 -8.3222 -8.3222 -8.2924 -8.2924 3.8153 3.8153 3.9071 3.9071 4.1712 4.1712 4.3751 4.3751 4.7864 4.7864 5.2897 5.2897 5.4454 5.4454 5.4972 5.4972 5.5159 5.5159 6.0005 6.0005 6.6891 6.6891 6.7146 6.7146 12.0559 12.0559 12.5226 12.5226 13.1149 13.1149 13.2923 13.2923 13.3342 13.3342 k =-0.1739 0.2740 0.7964 ( 9710 PWs) bands (ev): -39.7823 -39.7823 -39.7665 -39.7665 -35.9462 -35.9462 -35.9441 -35.9441 -18.9477 -18.9477 -18.9127 -18.9127 -18.5053 -18.5053 -18.4551 -18.4551 -18.2725 -18.2725 -18.2166 -18.2166 -8.6449 -8.6449 -8.5117 -8.5117 -8.3229 -8.3229 -8.2947 -8.2947 3.8310 3.8310 3.9411 3.9411 4.1740 4.1740 4.4020 4.4020 4.8008 4.8008 5.3106 5.3106 5.4763 5.4763 5.4960 5.4960 5.5321 5.5321 6.0344 6.0344 6.6570 6.6570 6.6859 6.6859 12.0008 12.0008 12.5131 12.5131 13.0763 13.0763 13.2726 13.2726 13.3198 13.3198 k =-0.1806 0.2845 0.7840 ( 9711 PWs) bands (ev): -39.7830 -39.7830 -39.7659 -39.7659 -35.9463 -35.9463 -35.9440 -35.9440 -18.9467 -18.9467 -18.9094 -18.9094 -18.5025 -18.5025 -18.4515 -18.4515 -18.2747 -18.2747 -18.2156 -18.2156 -8.6678 -8.6678 -8.5294 -8.5294 -8.3227 -8.3227 -8.2968 -8.2968 3.8457 3.8457 3.9759 3.9759 4.1780 4.1780 4.4282 4.4282 4.8171 4.8171 5.3168 5.3168 5.4828 5.4828 5.4941 5.4941 5.5896 5.5896 6.0664 6.0664 6.6245 6.6245 6.6572 6.6572 11.9479 11.9479 12.5040 12.5040 13.0389 13.0389 13.2504 13.2504 13.3075 13.3075 k =-0.1872 0.2950 0.7716 ( 9713 PWs) bands (ev): -39.7837 -39.7837 -39.7655 -39.7655 -35.9464 -35.9464 -35.9440 -35.9440 -18.9458 -18.9458 -18.9062 -18.9062 -18.4995 -18.4995 -18.4479 -18.4479 -18.2769 -18.2769 -18.2147 -18.2147 -8.6905 -8.6905 -8.5477 -8.5477 -8.3220 -8.3220 -8.2985 -8.2985 3.8593 3.8593 4.0113 4.0113 4.1832 4.1832 4.4534 4.4534 4.8354 4.8354 5.3167 5.3167 5.4797 5.4797 5.4915 5.4915 5.6644 5.6644 6.0963 6.0963 6.5917 6.5917 6.6289 6.6289 11.8975 11.8975 12.4955 12.4955 13.0029 13.0029 13.2272 13.2272 13.2963 13.2963 k =-0.1939 0.3055 0.7592 ( 9719 PWs) bands (ev): -39.7843 -39.7843 -39.7650 -39.7650 -35.9465 -35.9465 -35.9439 -35.9439 -18.9448 -18.9448 -18.9030 -18.9030 -18.4965 -18.4965 -18.4444 -18.4444 -18.2791 -18.2791 -18.2138 -18.2138 -8.7130 -8.7130 -8.5662 -8.5662 -8.3208 -8.3208 -8.3000 -8.3000 3.8717 3.8717 4.0472 4.0472 4.1899 4.1899 4.4771 4.4771 4.8558 4.8558 5.3141 5.3141 5.4750 5.4750 5.4882 5.4882 5.7445 5.7445 6.1236 6.1236 6.5588 6.5588 6.6012 6.6012 11.8497 11.8497 12.4874 12.4874 12.9685 12.9685 13.2038 13.2038 13.2857 13.2857 k =-0.2005 0.3159 0.7468 ( 9731 PWs) bands (ev): -39.7849 -39.7849 -39.7646 -39.7646 -35.9466 -35.9466 -35.9439 -35.9439 -18.9439 -18.9439 -18.9000 -18.9000 -18.4934 -18.4934 -18.4410 -18.4410 -18.2812 -18.2812 -18.2130 -18.2130 -8.7351 -8.7351 -8.5847 -8.5847 -8.3195 -8.3195 -8.3012 -8.3012 3.8828 3.8828 4.0833 4.0833 4.1980 4.1980 4.4991 4.4991 4.8780 4.8780 5.3107 5.3107 5.4698 5.4698 5.4842 5.4842 5.8263 5.8263 6.1482 6.1482 6.5263 6.5263 6.5746 6.5746 11.8049 11.8049 12.4797 12.4797 12.9359 12.9359 13.1807 13.1807 13.2756 13.2756 k =-0.2072 0.3264 0.7343 ( 9725 PWs) bands (ev): -39.7854 -39.7854 -39.7641 -39.7641 -35.9467 -35.9467 -35.9438 -35.9438 -18.9430 -18.9430 -18.8971 -18.8971 -18.4902 -18.4902 -18.4376 -18.4376 -18.2834 -18.2834 -18.2122 -18.2122 -8.7564 -8.7564 -8.6029 -8.6029 -8.3179 -8.3179 -8.3023 -8.3023 3.8923 3.8923 4.1194 4.1194 4.2075 4.2075 4.5193 4.5193 4.9018 4.9018 5.3070 5.3070 5.4644 5.4644 5.4798 5.4798 5.9080 5.9080 6.1697 6.1697 6.4942 6.4942 6.5495 6.5495 11.7632 11.7632 12.4726 12.4726 12.9051 12.9051 13.1581 13.1581 13.2660 13.2660 k =-0.2138 0.3369 0.7219 ( 9723 PWs) bands (ev): -39.7860 -39.7860 -39.7638 -39.7638 -35.9468 -35.9468 -35.9438 -35.9438 -18.9421 -18.9421 -18.8944 -18.8944 -18.4871 -18.4871 -18.4344 -18.4344 -18.2855 -18.2855 -18.2114 -18.2114 -8.7771 -8.7771 -8.6207 -8.6207 -8.3162 -8.3162 -8.3032 -8.3032 3.9005 3.9005 4.1553 4.1553 4.2182 4.2182 4.5378 4.5378 4.9265 4.9265 5.3036 5.3036 5.4589 5.4589 5.4751 5.4751 5.9885 5.9885 6.1878 6.1878 6.4628 6.4628 6.5264 6.5264 11.7249 11.7249 12.4660 12.4660 12.8762 12.8762 13.1364 13.1364 13.2569 13.2569 k =-0.2205 0.3474 0.7095 ( 9717 PWs) bands (ev): -39.7864 -39.7864 -39.7634 -39.7634 -35.9469 -35.9469 -35.9437 -35.9437 -18.9412 -18.9412 -18.8918 -18.8918 -18.4839 -18.4839 -18.4313 -18.4313 -18.2876 -18.2876 -18.2107 -18.2107 -8.7967 -8.7967 -8.6378 -8.6378 -8.3146 -8.3146 -8.3040 -8.3040 3.9073 3.9073 4.1907 4.1907 4.2299 4.2299 4.5547 4.5547 4.9514 4.9514 5.3006 5.3006 5.4534 5.4534 5.4704 5.4704 6.0668 6.0668 6.2022 6.2022 6.4326 6.4326 6.5056 6.5056 11.6900 11.6900 12.4599 12.4599 12.8494 12.8494 13.1156 13.1156 13.2484 13.2484 k =-0.2272 0.3579 0.6971 ( 9715 PWs) bands (ev): -39.7869 -39.7869 -39.7631 -39.7631 -35.9469 -35.9469 -35.9437 -35.9437 -18.9404 -18.9404 -18.8894 -18.8894 -18.4808 -18.4808 -18.4284 -18.4284 -18.2896 -18.2896 -18.2100 -18.2100 -8.8154 -8.8154 -8.6541 -8.6541 -8.3129 -8.3129 -8.3046 -8.3046 3.9129 3.9129 4.2251 4.2251 4.2425 4.2425 4.5704 4.5704 4.9755 4.9755 5.2981 5.2981 5.4477 5.4477 5.4659 5.4659 6.1418 6.1418 6.2131 6.2131 6.4038 6.4038 6.4875 6.4875 11.6585 11.6585 12.4542 12.4542 12.8247 12.8247 13.0960 13.0960 13.2405 13.2405 k =-0.2338 0.3684 0.6847 ( 9721 PWs) bands (ev): -39.7873 -39.7873 -39.7628 -39.7628 -35.9470 -35.9470 -35.9436 -35.9436 -18.9396 -18.9396 -18.8872 -18.8872 -18.4779 -18.4779 -18.4256 -18.4256 -18.2916 -18.2916 -18.2093 -18.2093 -8.8328 -8.8328 -8.6695 -8.6695 -8.3113 -8.3113 -8.3051 -8.3051 3.9173 3.9173 4.2554 4.2554 4.2583 4.2583 4.5852 4.5852 4.9979 4.9979 5.2963 5.2963 5.4420 5.4420 5.4621 5.4621 6.2084 6.2084 6.2243 6.2243 6.3772 6.3772 6.4724 6.4724 11.6305 11.6305 12.4491 12.4491 12.8022 12.8022 13.0776 13.0776 13.2334 13.2334 k =-0.2405 0.3789 0.6723 ( 9709 PWs) bands (ev): -39.7877 -39.7877 -39.7625 -39.7625 -35.9470 -35.9470 -35.9436 -35.9436 -18.9389 -18.9389 -18.8852 -18.8852 -18.4750 -18.4750 -18.4231 -18.4231 -18.2934 -18.2934 -18.2087 -18.2087 -8.8489 -8.8489 -8.6838 -8.6838 -8.3098 -8.3098 -8.3056 -8.3056 3.9208 3.9208 4.2686 4.2686 4.2897 4.2897 4.5995 4.5995 5.0175 5.0175 5.2952 5.2952 5.4361 5.4361 5.4595 5.4595 6.2214 6.2214 6.2779 6.2779 6.3557 6.3557 6.4603 6.4603 11.6059 11.6059 12.4445 12.4445 12.7819 12.7820 13.0607 13.0607 13.2271 13.2271 k =-0.2471 0.3893 0.6598 ( 9719 PWs) bands (ev): -39.7881 -39.7881 -39.7623 -39.7623 -35.9471 -35.9471 -35.9436 -35.9436 -18.9383 -18.9383 -18.8833 -18.8833 -18.4723 -18.4723 -18.4207 -18.4207 -18.2952 -18.2952 -18.2082 -18.2082 -8.8637 -8.8637 -8.6968 -8.6968 -8.3085 -8.3085 -8.3059 -8.3059 3.9235 3.9235 4.2816 4.2816 4.3190 4.3190 4.6135 4.6135 5.0336 5.0336 5.2947 5.2947 5.4301 5.4301 5.4585 5.4585 6.2221 6.2221 6.3085 6.3085 6.3630 6.3630 6.4513 6.4513 11.5846 11.5846 12.4403 12.4403 12.7639 12.7639 13.0453 13.0453 13.2217 13.2217 k =-0.2538 0.3998 0.6474 ( 9713 PWs) bands (ev): -39.7884 -39.7884 -39.7620 -39.7620 -35.9471 -35.9471 -35.9435 -35.9435 -18.9377 -18.9377 -18.8817 -18.8817 -18.4698 -18.4698 -18.4186 -18.4186 -18.2968 -18.2968 -18.2077 -18.2077 -8.8769 -8.8769 -8.7086 -8.7086 -8.3073 -8.3073 -8.3061 -8.3061 3.9255 3.9255 4.2940 4.2940 4.3455 4.3455 4.6276 4.6276 5.0455 5.0455 5.2949 5.2949 5.4242 5.4242 5.4592 5.4592 6.2202 6.2202 6.2957 6.2957 6.4081 6.4081 6.4469 6.4469 11.5664 11.5664 12.4367 12.4367 12.7481 12.7481 13.0314 13.0314 13.2171 13.2171 k =-0.2604 0.4103 0.6350 ( 9710 PWs) bands (ev): -39.7886 -39.7886 -39.7619 -39.7619 -35.9472 -35.9472 -35.9435 -35.9435 -18.9372 -18.9372 -18.8803 -18.8803 -18.4676 -18.4676 -18.4167 -18.4167 -18.2983 -18.2983 -18.2073 -18.2073 -8.8885 -8.8885 -8.7190 -8.7190 -8.3066 -8.3066 -8.3058 -8.3058 3.9270 3.9270 4.3055 4.3055 4.3689 4.3689 4.6418 4.6418 5.0530 5.0530 5.2957 5.2957 5.4183 5.4183 5.4618 5.4618 6.2167 6.2167 6.2781 6.2781 6.4306 6.4306 6.4681 6.4681 11.5512 11.5512 12.4335 12.4335 12.7345 12.7345 13.0193 13.0193 13.2134 13.2134 k =-0.2671 0.4208 0.6226 ( 9714 PWs) bands (ev): -39.7889 -39.7889 -39.7617 -39.7617 -35.9472 -35.9472 -35.9435 -35.9435 -18.9368 -18.9368 -18.8791 -18.8791 -18.4656 -18.4656 -18.4151 -18.4151 -18.2996 -18.2996 -18.2069 -18.2069 -8.8985 -8.8985 -8.7280 -8.7280 -8.3067 -8.3067 -8.3050 -8.3050 3.9281 3.9281 4.3158 4.3158 4.3888 4.3888 4.6559 4.6559 5.0564 5.0564 5.2969 5.2969 5.4126 5.4126 5.4659 5.4659 6.2125 6.2125 6.2620 6.2620 6.4293 6.4293 6.5088 6.5088 11.5388 11.5388 12.4309 12.4309 12.7231 12.7231 13.0089 13.0089 13.2104 13.2104 k =-0.2737 0.4313 0.6102 ( 9710 PWs) bands (ev): -39.7891 -39.7891 -39.7616 -39.7616 -35.9473 -35.9473 -35.9435 -35.9435 -18.9364 -18.9364 -18.8781 -18.8781 -18.4639 -18.4639 -18.4137 -18.4137 -18.3007 -18.3007 -18.2066 -18.2066 -8.9067 -8.9067 -8.7353 -8.7353 -8.3068 -8.3068 -8.3042 -8.3042 3.9289 3.9289 4.3246 4.3246 4.4050 4.4050 4.6693 4.6693 5.0565 5.0565 5.2985 5.2985 5.4074 5.4074 5.4708 5.4708 6.2082 6.2082 6.2483 6.2483 6.4266 6.4266 6.5450 6.5450 11.5290 11.5290 12.4287 12.4287 12.7139 12.7139 13.0003 13.0003 13.2082 13.2082 k =-0.2804 0.4418 0.5977 ( 9718 PWs) bands (ev): -39.7892 -39.7892 -39.7615 -39.7615 -35.9473 -35.9473 -35.9435 -35.9435 -18.9361 -18.9361 -18.8773 -18.8773 -18.4626 -18.4626 -18.4127 -18.4127 -18.3016 -18.3016 -18.2063 -18.2063 -8.9131 -8.9131 -8.7412 -8.7412 -8.3069 -8.3069 -8.3036 -8.3036 3.9294 3.9294 4.3317 4.3317 4.4175 4.4175 4.6815 4.6815 5.0545 5.0545 5.3001 5.3001 5.4029 5.4029 5.4758 5.4758 6.2043 6.2043 6.2374 6.2374 6.4244 6.4244 6.5740 6.5740 11.5216 11.5216 12.4270 12.4270 12.7067 12.7067 12.9936 12.9936 13.2066 13.2066 k =-0.2870 0.4522 0.5853 ( 9713 PWs) bands (ev): -39.7893 -39.7893 -39.7614 -39.7614 -35.9473 -35.9473 -35.9435 -35.9435 -18.9359 -18.9359 -18.8768 -18.8768 -18.4616 -18.4616 -18.4119 -18.4119 -18.3022 -18.3022 -18.2062 -18.2062 -8.9178 -8.9178 -8.7453 -8.7453 -8.3070 -8.3070 -8.3031 -8.3031 3.9297 3.9297 4.3370 4.3370 4.4263 4.4263 4.6912 4.6912 5.0518 5.0518 5.3015 5.3015 5.3993 5.3993 5.4800 5.4800 6.2013 6.2013 6.2296 6.2296 6.4227 6.4227 6.5951 6.5951 11.5165 11.5165 12.4258 12.4258 12.7017 12.7017 12.9887 12.9887 13.2055 13.2055 k =-0.2937 0.4627 0.5729 ( 9711 PWs) bands (ev): -39.7894 -39.7894 -39.7613 -39.7613 -35.9473 -35.9473 -35.9435 -35.9435 -18.9358 -18.9358 -18.8764 -18.8764 -18.4610 -18.4610 -18.4114 -18.4114 -18.3026 -18.3026 -18.2061 -18.2061 -8.9206 -8.9206 -8.7478 -8.7478 -8.3070 -8.3070 -8.3028 -8.3028 3.9299 3.9299 4.3402 4.3402 4.4315 4.4315 4.6976 4.6976 5.0495 5.0495 5.3025 5.3025 5.3970 5.3970 5.4828 5.4828 6.1994 6.1994 6.2248 6.2248 6.4217 6.4217 6.6079 6.6079 11.5134 11.5134 12.4251 12.4251 12.6987 12.6987 12.9858 12.9858 13.2049 13.2049 k =-0.3004 0.4732 0.5605 ( 9707 PWs) bands (ev): -39.7894 -39.7894 -39.7613 -39.7613 -35.9473 -35.9473 -35.9435 -35.9435 -18.9358 -18.9358 -18.8763 -18.8763 -18.4608 -18.4608 -18.4113 -18.4113 -18.3028 -18.3028 -18.2060 -18.2060 -8.9215 -8.9215 -8.7487 -8.7487 -8.3070 -8.3070 -8.3027 -8.3027 3.9299 3.9299 4.3412 4.3412 4.4333 4.4333 4.6998 4.6998 5.0486 5.0486 5.3029 5.3029 5.3962 5.3962 5.4838 5.4838 6.1988 6.1988 6.2232 6.2232 6.4213 6.4213 6.6122 6.6122 11.5124 11.5124 12.4249 12.4249 12.6977 12.6977 12.9848 12.9848 13.2047 13.2047 k =-0.3004 0.4732 0.5605 ( 9707 PWs) bands (ev): -39.7894 -39.7894 -39.7613 -39.7613 -35.9473 -35.9473 -35.9435 -35.9435 -18.9358 -18.9358 -18.8763 -18.8763 -18.4608 -18.4608 -18.4113 -18.4113 -18.3028 -18.3028 -18.2060 -18.2060 -8.9215 -8.9215 -8.7487 -8.7487 -8.3070 -8.3070 -8.3027 -8.3027 3.9299 3.9299 4.3412 4.3412 4.4333 4.4333 4.6998 4.6998 5.0486 5.0486 5.3029 5.3029 5.3962 5.3962 5.4838 5.4838 6.1988 6.1988 6.2232 6.2232 6.4213 6.4213 6.6122 6.6122 11.5124 11.5124 12.4249 12.4249 12.6977 12.6977 12.9848 12.9848 13.2047 13.2047 k =-0.2938 0.4629 0.5483 ( 9713 PWs) bands (ev): -39.7901 -39.7901 -39.7605 -39.7605 -35.9474 -35.9474 -35.9433 -35.9433 -18.9391 -18.9391 -18.8765 -18.8765 -18.4607 -18.4607 -18.4147 -18.4147 -18.3021 -18.3021 -18.2046 -18.2046 -8.9279 -8.9279 -8.7475 -8.7475 -8.2944 -8.2944 -8.2864 -8.2864 3.9136 3.9136 4.3485 4.3485 4.3854 4.3854 4.7154 4.7154 5.0563 5.0563 5.2805 5.2805 5.3746 5.3746 5.4676 5.4676 6.2004 6.2004 6.2096 6.2096 6.4333 6.4333 6.6134 6.6134 11.5323 11.5323 12.4802 12.4802 12.7138 12.7138 13.0260 13.0260 13.1886 13.1886 k =-0.2873 0.4526 0.5361 ( 9709 PWs) bands (ev): -39.7909 -39.7909 -39.7596 -39.7596 -35.9475 -35.9475 -35.9432 -35.9432 -18.9423 -18.9423 -18.8764 -18.8764 -18.4603 -18.4603 -18.4181 -18.4181 -18.3014 -18.3014 -18.2033 -18.2033 -8.9346 -8.9346 -8.7463 -8.7463 -8.2830 -8.2830 -8.2714 -8.2714 3.9004 3.9004 4.3388 4.3388 4.3577 4.3577 4.7310 4.7310 5.0673 5.0673 5.2574 5.2574 5.3532 5.3532 5.4528 5.4528 6.1939 6.1939 6.2042 6.2042 6.4457 6.4457 6.6155 6.6155 11.5525 11.5525 12.5330 12.5330 12.7262 12.7262 13.0641 13.0641 13.1724 13.1724 k =-0.2808 0.4424 0.5239 ( 9709 PWs) bands (ev): -39.7917 -39.7917 -39.7588 -39.7588 -35.9476 -35.9476 -35.9431 -35.9431 -18.9453 -18.9453 -18.8761 -18.8761 -18.4599 -18.4599 -18.4214 -18.4214 -18.3007 -18.3007 -18.2019 -18.2019 -8.9416 -8.9416 -8.7451 -8.7451 -8.2729 -8.2729 -8.2578 -8.2578 3.8903 3.8903 4.2947 4.2947 4.3684 4.3684 4.7465 4.7465 5.0810 5.0810 5.2336 5.2336 5.3322 5.3322 5.4394 5.4394 6.1815 6.1815 6.2050 6.2050 6.4587 6.4587 6.6186 6.6186 11.5730 11.5730 12.5829 12.5829 12.7346 12.7346 13.0985 13.0985 13.1565 13.1565 k =-0.2742 0.4321 0.5118 ( 9711 PWs) bands (ev): -39.7925 -39.7925 -39.7579 -39.7579 -35.9477 -35.9477 -35.9430 -35.9430 -18.9481 -18.9481 -18.8755 -18.8755 -18.4593 -18.4593 -18.4246 -18.4246 -18.3000 -18.3000 -18.2006 -18.2006 -8.9488 -8.9488 -8.7439 -8.7439 -8.2643 -8.2643 -8.2458 -8.2458 3.8832 3.8832 4.2532 4.2532 4.3811 4.3811 4.7617 4.7617 5.0970 5.0970 5.2092 5.2092 5.3116 5.3116 5.4278 5.4278 6.1692 6.1692 6.2055 6.2055 6.4721 6.4721 6.6224 6.6224 11.5937 11.5937 12.6298 12.6298 12.7391 12.7391 13.1244 13.1244 13.1456 13.1456 k =-0.2677 0.4218 0.4996 ( 9707 PWs) bands (ev): -39.7933 -39.7933 -39.7571 -39.7571 -35.9478 -35.9478 -35.9429 -35.9429 -18.9508 -18.9508 -18.8746 -18.8746 -18.4586 -18.4586 -18.4276 -18.4276 -18.2994 -18.2994 -18.1993 -18.1993 -8.9563 -8.9563 -8.7426 -8.7426 -8.2571 -8.2571 -8.2354 -8.2354 3.8793 3.8793 4.2150 4.2150 4.3959 4.3959 4.7766 4.7766 5.1150 5.1150 5.1845 5.1845 5.2914 5.2914 5.4179 5.4179 6.1574 6.1574 6.2054 6.2054 6.4861 6.4861 6.6271 6.6271 11.6145 11.6145 12.6732 12.6732 12.7396 12.7396 13.1179 13.1179 13.1635 13.1635 k =-0.2612 0.4115 0.4874 ( 9705 PWs) bands (ev): -39.7941 -39.7941 -39.7562 -39.7562 -35.9479 -35.9479 -35.9428 -35.9428 -18.9532 -18.9532 -18.8735 -18.8735 -18.4578 -18.4578 -18.4305 -18.4305 -18.2987 -18.2987 -18.1980 -18.1980 -8.9641 -8.9641 -8.7414 -8.7414 -8.2514 -8.2514 -8.2267 -8.2267 3.8782 3.8782 4.1803 4.1803 4.4128 4.4128 4.7909 4.7909 5.1347 5.1347 5.1596 5.1596 5.2718 5.2718 5.4102 5.4102 6.1461 6.1461 6.2046 6.2046 6.5006 6.5006 6.6326 6.6326 11.6355 11.6355 12.7118 12.7118 12.7374 12.7374 13.1016 13.1016 13.1875 13.1875 k =-0.2547 0.4012 0.4752 ( 9715 PWs) bands (ev): -39.7950 -39.7950 -39.7553 -39.7553 -35.9480 -35.9480 -35.9427 -35.9427 -18.9554 -18.9554 -18.8720 -18.8720 -18.4569 -18.4569 -18.4332 -18.4332 -18.2980 -18.2980 -18.1967 -18.1967 -8.9722 -8.9722 -8.7401 -8.7401 -8.2471 -8.2471 -8.2197 -8.2197 3.8801 3.8801 4.1493 4.1493 4.4321 4.4321 4.8043 4.8043 5.1339 5.1339 5.1566 5.1566 5.2527 5.2527 5.4048 5.4048 6.1353 6.1353 6.2031 6.2031 6.5155 6.5155 6.6388 6.6388 11.6564 11.6564 12.7237 12.7237 12.7542 12.7542 13.0844 13.0844 13.2087 13.2087 k =-0.2481 0.3909 0.4630 ( 9717 PWs) bands (ev): -39.7958 -39.7958 -39.7545 -39.7545 -35.9481 -35.9481 -35.9426 -35.9426 -18.9575 -18.9575 -18.8702 -18.8702 -18.4560 -18.4560 -18.4357 -18.4357 -18.2974 -18.2974 -18.1955 -18.1955 -8.9806 -8.9806 -8.7387 -8.7387 -8.2443 -8.2443 -8.2144 -8.2144 3.8846 3.8846 4.1223 4.1223 4.4538 4.4538 4.8168 4.8168 5.1088 5.1088 5.1792 5.1792 5.2343 5.2343 5.4018 5.4018 6.1249 6.1249 6.2008 6.2008 6.5309 6.5309 6.6458 6.6458 11.6774 11.6774 12.7124 12.7124 12.7865 12.7865 13.0668 13.0668 13.2264 13.2264 k =-0.2416 0.3806 0.4508 ( 9709 PWs) bands (ev): -39.7966 -39.7966 -39.7537 -39.7537 -35.9482 -35.9482 -35.9425 -35.9425 -18.9593 -18.9593 -18.8682 -18.8682 -18.4552 -18.4552 -18.4378 -18.4378 -18.2967 -18.2967 -18.1943 -18.1943 -8.9893 -8.9893 -8.7374 -8.7374 -8.2430 -8.2430 -8.2108 -8.2108 3.8917 3.8917 4.0993 4.0993 4.4782 4.4782 4.8281 4.8281 5.0836 5.0836 5.2021 5.2021 5.2177 5.2177 5.4017 5.4017 6.1149 6.1149 6.1977 6.1977 6.5468 6.5468 6.6535 6.6535 11.6982 11.6982 12.6957 12.6957 12.8164 12.8164 13.0490 13.0490 13.2401 13.2402 k =-0.2351 0.3703 0.4386 ( 9703 PWs) bands (ev): -39.7975 -39.7975 -39.7528 -39.7528 -35.9483 -35.9483 -35.9424 -35.9424 -18.9609 -18.9609 -18.8658 -18.8658 -18.4546 -18.4546 -18.4395 -18.4395 -18.2959 -18.2959 -18.1932 -18.1932 -8.9984 -8.9984 -8.7361 -8.7361 -8.2430 -8.2430 -8.2090 -8.2090 3.9011 3.9011 4.0803 4.0803 4.5052 4.5052 4.8380 4.8380 5.0586 5.0586 5.1977 5.1977 5.2304 5.2304 5.4044 5.4044 6.1053 6.1053 6.1938 6.1938 6.5630 6.5630 6.6619 6.6619 11.7190 11.7190 12.6745 12.6745 12.8431 12.8431 13.0311 13.0311 13.2453 13.2464 k =-0.2285 0.3601 0.4265 ( 9707 PWs) bands (ev): -39.7983 -39.7983 -39.7520 -39.7520 -35.9484 -35.9484 -35.9423 -35.9423 -18.9623 -18.9623 -18.8632 -18.8632 -18.4545 -18.4545 -18.4406 -18.4406 -18.2952 -18.2952 -18.1921 -18.1921 -9.0079 -9.0079 -8.7348 -8.7348 -8.2443 -8.2443 -8.2090 -8.2090 3.9125 3.9125 4.0655 4.0655 4.5351 4.5351 4.8463 4.8463 5.0340 5.0340 5.1815 5.1815 5.2567 5.2567 5.4102 5.4102 6.0961 6.0961 6.1891 6.1891 6.5796 6.5796 6.6710 6.6710 11.7395 11.7395 12.6490 12.6490 12.8665 12.8665 13.0130 13.0130 13.2147 13.2148 k =-0.2220 0.3498 0.4143 ( 9707 PWs) bands (ev): -39.7992 -39.7992 -39.7512 -39.7512 -35.9485 -35.9485 -35.9422 -35.9422 -18.9635 -18.9635 -18.8602 -18.8602 -18.4549 -18.4549 -18.4408 -18.4408 -18.2944 -18.2944 -18.1910 -18.1910 -9.0177 -9.0177 -8.7335 -8.7335 -8.2469 -8.2469 -8.2106 -8.2106 3.9258 3.9258 4.0548 4.0548 4.5679 4.5679 4.8530 4.8530 5.0098 5.0098 5.1656 5.1656 5.2844 5.2844 5.4191 5.4191 6.0873 6.0873 6.1837 6.1837 6.5966 6.5966 6.6807 6.6807 11.7598 11.7598 12.6193 12.6193 12.8867 12.8867 12.9949 12.9949 13.1733 13.1733 k =-0.2155 0.3395 0.4021 ( 9709 PWs) bands (ev): -39.8001 -39.8001 -39.7504 -39.7504 -35.9486 -35.9486 -35.9421 -35.9421 -18.9645 -18.9645 -18.8570 -18.8570 -18.4558 -18.4558 -18.4403 -18.4403 -18.2935 -18.2935 -18.1900 -18.1900 -9.0279 -9.0279 -8.7322 -8.7322 -8.2507 -8.2507 -8.2139 -8.2139 3.9406 3.9406 4.0480 4.0480 4.6036 4.6036 4.8581 4.8581 4.9861 4.9861 5.1503 5.1503 5.3131 5.3131 5.4312 5.4312 6.0791 6.0791 6.1775 6.1775 6.6139 6.6139 6.6911 6.6911 11.7798 11.7798 12.5856 12.5856 12.9038 12.9038 12.9768 12.9768 13.1294 13.1294 k =-0.2089 0.3292 0.3899 ( 9715 PWs) bands (ev): -39.8009 -39.8009 -39.7496 -39.7496 -35.9487 -35.9487 -35.9420 -35.9420 -18.9653 -18.9653 -18.8535 -18.8535 -18.4572 -18.4572 -18.4391 -18.4391 -18.2927 -18.2927 -18.1891 -18.1891 -9.0385 -9.0385 -8.7310 -8.7310 -8.2556 -8.2556 -8.2188 -8.2188 3.9568 3.9568 4.0453 4.0453 4.6421 4.6421 4.8616 4.8616 4.9631 4.9631 5.1356 5.1356 5.3427 5.3427 5.4464 5.4464 6.0715 6.0715 6.1707 6.1707 6.6315 6.6315 6.7020 6.7020 11.7995 11.7995 12.5480 12.5480 12.9177 12.9177 12.9588 12.9588 13.0835 13.0835 k =-0.2024 0.3189 0.3777 ( 9711 PWs) bands (ev): -39.8018 -39.8018 -39.7488 -39.7488 -35.9488 -35.9488 -35.9419 -35.9419 -18.9659 -18.9659 -18.8498 -18.8498 -18.4588 -18.4588 -18.4375 -18.4375 -18.2917 -18.2917 -18.1882 -18.1882 -9.0496 -9.0496 -8.7299 -8.7299 -8.2615 -8.2615 -8.2251 -8.2251 3.9741 3.9741 4.0464 4.0464 4.6833 4.6833 4.8635 4.8635 4.9408 4.9408 5.1216 5.1216 5.3732 5.3732 5.4646 5.4646 6.0646 6.0646 6.1632 6.1632 6.6493 6.6493 6.7136 6.7136 11.8188 11.8188 12.5067 12.5067 12.9273 12.9273 12.9422 12.9422 13.0360 13.0360 k =-0.1959 0.3086 0.3655 ( 9703 PWs) bands (ev): -39.8026 -39.8026 -39.7481 -39.7481 -35.9489 -35.9489 -35.9418 -35.9418 -18.9664 -18.9664 -18.8458 -18.8458 -18.4606 -18.4606 -18.4355 -18.4355 -18.2907 -18.2907 -18.1874 -18.1874 -9.0611 -9.0611 -8.7289 -8.7289 -8.2683 -8.2683 -8.2329 -8.2329 3.9922 3.9922 4.0512 4.0512 4.7271 4.7271 4.8641 4.8641 4.9194 4.9194 5.1083 5.1083 5.4043 5.4043 5.4856 5.4856 6.0587 6.0587 6.1551 6.1551 6.6673 6.6673 6.7256 6.7256 11.8377 11.8377 12.4618 12.4618 12.9194 12.9194 12.9403 12.9403 12.9872 12.9872 k =-0.1894 0.2983 0.3534 ( 9701 PWs) bands (ev): -39.8035 -39.8035 -39.7473 -39.7473 -35.9490 -35.9490 -35.9417 -35.9417 -18.9667 -18.9667 -18.8416 -18.8416 -18.4624 -18.4624 -18.4334 -18.4334 -18.2897 -18.2897 -18.1867 -18.1867 -9.0730 -9.0730 -8.7280 -8.7280 -8.2758 -8.2758 -8.2419 -8.2419 4.0109 4.0109 4.0597 4.0597 4.7730 4.7730 4.8634 4.8634 4.8990 4.8990 5.0957 5.0957 5.4359 5.4359 5.5092 5.5092 6.0539 6.0539 6.1465 6.1465 6.6855 6.6855 6.7383 6.7383 11.8562 11.8562 12.4138 12.4138 12.9018 12.9018 12.9368 12.9368 12.9461 12.9461 k =-0.1828 0.2880 0.3412 ( 9697 PWs) bands (ev): -39.8043 -39.8043 -39.7466 -39.7466 -35.9491 -35.9491 -35.9416 -35.9416 -18.9668 -18.9668 -18.8371 -18.8371 -18.4642 -18.4642 -18.4310 -18.4310 -18.2886 -18.2886 -18.1860 -18.1860 -9.0853 -9.0853 -8.7272 -8.7272 -8.2840 -8.2840 -8.2522 -8.2522 4.0301 4.0301 4.0715 4.0715 4.8199 4.8199 4.8617 4.8617 4.8804 4.8804 5.0837 5.0837 5.4679 5.4679 5.5351 5.5351 6.0506 6.0506 6.1375 6.1375 6.7037 6.7037 6.7514 6.7514 11.8741 11.8741 12.3626 12.3626 12.8832 12.8832 12.8868 12.8868 12.9494 12.9495 k =-0.1763 0.2778 0.3290 ( 9701 PWs) bands (ev): -39.8051 -39.8051 -39.7459 -39.7459 -35.9492 -35.9492 -35.9415 -35.9415 -18.9668 -18.9668 -18.8325 -18.8325 -18.4659 -18.4659 -18.4285 -18.4285 -18.2874 -18.2874 -18.1854 -18.1854 -9.0980 -9.0980 -8.7266 -8.7266 -8.2928 -8.2928 -8.2635 -8.2635 4.0495 4.0495 4.0866 4.0866 4.8511 4.8511 4.8612 4.8612 4.8780 4.8780 5.0724 5.0724 5.5003 5.5003 5.5632 5.5632 6.0492 6.0492 6.1281 6.1281 6.7220 6.7220 6.7651 6.7651 11.8916 11.8916 12.3087 12.3087 12.8353 12.8353 12.8651 12.8651 12.9511 12.9511 k =-0.1698 0.2675 0.3168 ( 9697 PWs) bands (ev): -39.8059 -39.8059 -39.7452 -39.7452 -35.9493 -35.9493 -35.9414 -35.9414 -18.9667 -18.9667 -18.8278 -18.8278 -18.4676 -18.4676 -18.4258 -18.4258 -18.2862 -18.2862 -18.1849 -18.1849 -9.1112 -9.1112 -8.7263 -8.7263 -8.3020 -8.3020 -8.2756 -8.2756 4.0691 4.0691 4.1047 4.1047 4.8400 4.8400 4.8561 4.8561 4.9235 4.9235 5.0617 5.0617 5.5327 5.5327 5.5932 5.5932 6.0501 6.0501 6.1186 6.1186 6.7402 6.7402 6.7792 6.7792 11.9085 11.9085 12.2523 12.2523 12.7840 12.7840 12.8465 12.8465 12.9509 12.9509 k =-0.1632 0.2572 0.3046 ( 9705 PWs) bands (ev): -39.8067 -39.8067 -39.7446 -39.7446 -35.9494 -35.9494 -35.9413 -35.9413 -18.9665 -18.9665 -18.8229 -18.8229 -18.4693 -18.4693 -18.4230 -18.4230 -18.2849 -18.2849 -18.1845 -18.1845 -9.1248 -9.1248 -8.7262 -8.7262 -8.3115 -8.3115 -8.2886 -8.2886 4.0885 4.0885 4.1255 4.1255 4.8248 4.8248 4.8517 4.8517 4.9731 4.9731 5.0517 5.0517 5.5651 5.5651 5.6248 5.6248 6.0538 6.0538 6.1089 6.1089 6.7582 6.7582 6.7938 6.7938 11.9248 11.9248 12.1938 12.1938 12.7329 12.7329 12.8278 12.8278 12.9488 12.9488 k =-0.1567 0.2469 0.2924 ( 9703 PWs) bands (ev): -39.8075 -39.8075 -39.7439 -39.7439 -35.9495 -35.9495 -35.9412 -35.9412 -18.9661 -18.9661 -18.8178 -18.8178 -18.4709 -18.4709 -18.4202 -18.4202 -18.2836 -18.2836 -18.1841 -18.1841 -9.1387 -9.1387 -8.7263 -8.7263 -8.3213 -8.3213 -8.3021 -8.3021 4.1077 4.1077 4.1490 4.1490 4.8104 4.8104 4.8471 4.8471 5.0218 5.0218 5.0428 5.0428 5.5972 5.5972 5.6578 5.6578 6.0612 6.0612 6.0995 6.0995 6.7760 6.7760 6.8088 6.8088 11.9406 11.9406 12.1333 12.1333 12.6823 12.6823 12.8089 12.8089 12.9453 12.9453 k =-0.1502 0.2366 0.2802 ( 9693 PWs) bands (ev): -39.8083 -39.8083 -39.7433 -39.7433 -35.9495 -35.9495 -35.9412 -35.9412 -18.9657 -18.9657 -18.8127 -18.8127 -18.4724 -18.4724 -18.4172 -18.4172 -18.2822 -18.2822 -18.1838 -18.1838 -9.1530 -9.1530 -8.7268 -8.7268 -8.3311 -8.3311 -8.3161 -8.3161 4.1266 4.1266 4.1747 4.1747 4.7973 4.7973 4.8422 4.8422 5.0329 5.0329 5.0701 5.0701 5.6286 5.6286 5.6919 5.6919 6.0727 6.0727 6.0904 6.0904 6.7935 6.7935 6.8241 6.8241 11.9557 11.9557 12.0713 12.0713 12.6325 12.6325 12.7899 12.7899 12.9403 12.9403 k =-0.1436 0.2263 0.2681 ( 9693 PWs) bands (ev): -39.8091 -39.8091 -39.7427 -39.7427 -35.9496 -35.9496 -35.9411 -35.9411 -18.9652 -18.9652 -18.8075 -18.8075 -18.4739 -18.4739 -18.4142 -18.4142 -18.2807 -18.2807 -18.1836 -18.1836 -9.1675 -9.1675 -8.7277 -8.7277 -8.3411 -8.3411 -8.3302 -8.3302 4.1450 4.1450 4.2025 4.2025 4.7857 4.7857 4.8371 4.8371 5.0248 5.0248 5.1142 5.1142 5.6591 5.6591 5.7270 5.7270 6.0819 6.0819 6.0894 6.0894 6.8106 6.8106 6.8398 6.8398 11.9699 11.9699 12.0083 12.0083 12.5839 12.5839 12.7708 12.7708 12.9340 12.9341 k =-0.1371 0.2160 0.2559 ( 9713 PWs) bands (ev): -39.8098 -39.8098 -39.7421 -39.7421 -35.9497 -35.9497 -35.9410 -35.9410 -18.9646 -18.9646 -18.8023 -18.8023 -18.4753 -18.4753 -18.4112 -18.4112 -18.2792 -18.2792 -18.1835 -18.1835 -9.1823 -9.1823 -8.7289 -8.7289 -8.3511 -8.3511 -8.3443 -8.3443 4.1627 4.1627 4.2321 4.2321 4.7759 4.7759 4.8319 4.8319 5.0171 5.0171 5.1545 5.1545 5.6881 5.6881 5.7628 5.7628 6.0746 6.0746 6.1117 6.1117 6.8272 6.8272 6.8557 6.8557 11.9434 11.9434 11.9846 11.9846 12.5367 12.5367 12.7515 12.7515 12.9268 12.9268 k =-0.1306 0.2057 0.2437 ( 9695 PWs) bands (ev): -39.8105 -39.8105 -39.7416 -39.7416 -35.9498 -35.9498 -35.9409 -35.9409 -18.9639 -18.9639 -18.7971 -18.7971 -18.4766 -18.4766 -18.4081 -18.4081 -18.2777 -18.2777 -18.1835 -18.1835 -9.1972 -9.1972 -8.7306 -8.7306 -8.3617 -8.3617 -8.3575 -8.3575 4.1796 4.1796 4.2632 4.2632 4.7679 4.7679 4.8266 4.8266 5.0100 5.0100 5.1898 5.1898 5.7151 5.7151 5.7992 5.7992 6.0690 6.0690 6.1403 6.1403 6.8434 6.8434 6.8717 6.8717 11.8789 11.8789 11.9976 11.9976 12.4913 12.4913 12.7321 12.7321 12.9187 12.9187 k =-0.1241 0.1955 0.2315 ( 9705 PWs) bands (ev): -39.8112 -39.8112 -39.7411 -39.7411 -35.9498 -35.9498 -35.9409 -35.9409 -18.9633 -18.9633 -18.7920 -18.7920 -18.4779 -18.4779 -18.4050 -18.4050 -18.2761 -18.2761 -18.1835 -18.1835 -9.2123 -9.2123 -8.7328 -8.7328 -8.3742 -8.3742 -8.3684 -8.3684 4.1956 4.1956 4.2956 4.2956 4.7618 4.7618 4.8213 4.8213 5.0033 5.0033 5.2195 5.2195 5.7394 5.7394 5.8358 5.8358 6.0656 6.0656 6.1755 6.1755 6.8592 6.8592 6.8875 6.8875 11.8141 11.8141 12.0102 12.0102 12.4480 12.4480 12.7124 12.7124 12.9100 12.9100 k =-0.1175 0.1852 0.2193 ( 9709 PWs) bands (ev): -39.8119 -39.8119 -39.7406 -39.7406 -35.9499 -35.9499 -35.9408 -35.9408 -18.9626 -18.9626 -18.7868 -18.7868 -18.4791 -18.4791 -18.4018 -18.4018 -18.2746 -18.2746 -18.1836 -18.1836 -9.2273 -9.2273 -8.7354 -8.7354 -8.3874 -8.3874 -8.3778 -8.3778 4.2105 4.2105 4.3290 4.3290 4.7579 4.7579 4.8161 4.8161 4.9971 4.9971 5.2430 5.2430 5.7602 5.7602 5.8726 5.8726 6.0651 6.0651 6.2171 6.2171 6.8745 6.8745 6.9031 6.9031 11.7495 11.7495 12.0221 12.0221 12.4069 12.4069 12.6926 12.6926 12.9007 12.9007 k =-0.1110 0.1749 0.2071 ( 9701 PWs) bands (ev): -39.8125 -39.8125 -39.7401 -39.7401 -35.9500 -35.9500 -35.9407 -35.9407 -18.9618 -18.9618 -18.7818 -18.7818 -18.4802 -18.4802 -18.3987 -18.3987 -18.2730 -18.2730 -18.1837 -18.1837 -9.2423 -9.2423 -8.7386 -8.7386 -8.4004 -8.4004 -8.3866 -8.3866 4.2242 4.2242 4.3630 4.3630 4.7562 4.7562 4.8110 4.8110 4.9914 4.9914 5.2605 5.2605 5.7767 5.7767 5.9092 5.9092 6.0683 6.0683 6.2649 6.2649 6.8894 6.8894 6.9183 6.9183 11.6853 11.6853 12.0333 12.0333 12.3684 12.3684 12.6726 12.6726 12.8912 12.8912 k =-0.1045 0.1646 0.1950 ( 9693 PWs) bands (ev): -39.8131 -39.8131 -39.7396 -39.7396 -35.9500 -35.9500 -35.9407 -35.9407 -18.9611 -18.9611 -18.7769 -18.7769 -18.4813 -18.4813 -18.3956 -18.3956 -18.2714 -18.2714 -18.1839 -18.1839 -9.2572 -9.2572 -8.7423 -8.7423 -8.4128 -8.4128 -8.3949 -8.3949 4.2366 4.2366 4.3975 4.3975 4.7568 4.7568 4.8061 4.8061 4.9861 4.9861 5.2721 5.2721 5.7886 5.7886 5.9455 5.9455 6.0755 6.0755 6.3180 6.3180 6.9037 6.9037 6.9328 6.9328 11.6221 11.6221 12.0439 12.0439 12.3327 12.3327 12.6525 12.6525 12.8815 12.8815 k =-0.0979 0.1543 0.1828 ( 9697 PWs) bands (ev): -39.8137 -39.8137 -39.7392 -39.7392 -35.9501 -35.9501 -35.9406 -35.9406 -18.9603 -18.9603 -18.7721 -18.7721 -18.4823 -18.4823 -18.3925 -18.3925 -18.2698 -18.2698 -18.1842 -18.1842 -9.2718 -9.2718 -8.7464 -8.7464 -8.4244 -8.4244 -8.4027 -8.4027 4.2477 4.2477 4.4320 4.4320 4.7596 4.7596 4.8013 4.8013 4.9813 4.9813 5.2783 5.2783 5.7957 5.7957 5.9813 5.9813 6.0870 6.0870 6.3754 6.3754 6.9175 6.9175 6.9467 6.9467 11.5602 11.5602 12.0538 12.0538 12.2999 12.2999 12.6323 12.6323 12.8718 12.8719 k =-0.0914 0.1440 0.1706 ( 9713 PWs) bands (ev): -39.8142 -39.8142 -39.7388 -39.7388 -35.9501 -35.9501 -35.9406 -35.9406 -18.9596 -18.9596 -18.7675 -18.7675 -18.4832 -18.4832 -18.3895 -18.3895 -18.2683 -18.2683 -18.1845 -18.1845 -9.2861 -9.2861 -8.7510 -8.7510 -8.4352 -8.4352 -8.4101 -8.4101 4.2573 4.2573 4.4664 4.4664 4.7648 4.7648 4.7968 4.7968 4.9768 4.9768 5.2797 5.2797 5.7983 5.7983 6.0162 6.0162 6.1021 6.1021 6.4360 6.4360 6.9306 6.9306 6.9597 6.9597 11.5000 11.5000 12.0631 12.0631 12.2702 12.2702 12.6123 12.6123 12.8624 12.8625 k =-0.0849 0.1337 0.1584 ( 9717 PWs) bands (ev): -39.8148 -39.8148 -39.7384 -39.7384 -35.9502 -35.9502 -35.9405 -35.9405 -18.9589 -18.9589 -18.7631 -18.7631 -18.4840 -18.4840 -18.3865 -18.3865 -18.2668 -18.2668 -18.1848 -18.1848 -9.2999 -9.2999 -8.7560 -8.7560 -8.4451 -8.4451 -8.4170 -8.4170 4.2656 4.2656 4.5003 4.5003 4.7723 4.7723 4.7925 4.7925 4.9728 4.9728 5.2769 5.2769 5.7972 5.7972 6.0500 6.0500 6.1202 6.1202 6.4987 6.4987 6.9431 6.9431 6.9719 6.9719 11.4418 11.4418 12.0717 12.0717 12.2436 12.2436 12.5924 12.5924 12.8533 12.8544 k =-0.0784 0.1234 0.1462 ( 9713 PWs) bands (ev): -39.8152 -39.8152 -39.7381 -39.7381 -35.9502 -35.9502 -35.9405 -35.9405 -18.9582 -18.9582 -18.7589 -18.7589 -18.4848 -18.4848 -18.3837 -18.3837 -18.2654 -18.2654 -18.1852 -18.1852 -9.3132 -9.3132 -8.7613 -8.7613 -8.4540 -8.4540 -8.4233 -8.4233 4.2725 4.2725 4.5334 4.5334 4.7819 4.7819 4.7885 4.7885 4.9691 4.9691 5.2707 5.2707 5.7932 5.7932 6.0825 6.0825 6.1405 6.1405 6.5622 6.5622 6.9549 6.9549 6.9830 6.9830 11.3860 11.3860 12.0796 12.0796 12.2202 12.2202 12.5729 12.5729 12.8446 12.8447 k =-0.0718 0.1132 0.1340 ( 9707 PWs) bands (ev): -39.8157 -39.8157 -39.7378 -39.7378 -35.9503 -35.9503 -35.9405 -35.9405 -18.9575 -18.9575 -18.7549 -18.7549 -18.4856 -18.4856 -18.3810 -18.3810 -18.2640 -18.2640 -18.1855 -18.1855 -9.3258 -9.3258 -8.7669 -8.7669 -8.4620 -8.4620 -8.4292 -8.4292 4.2782 4.2782 4.5654 4.5654 4.7846 4.7846 4.7935 4.7935 4.9658 4.9658 5.2614 5.2614 5.7872 5.7872 6.1133 6.1133 6.1621 6.1621 6.6254 6.6254 6.9658 6.9658 6.9933 6.9933 11.3330 11.3330 12.0868 12.0868 12.1999 12.1999 12.5540 12.5540 12.8366 12.8371 k =-0.0653 0.1029 0.1218 ( 9707 PWs) bands (ev): -39.8161 -39.8161 -39.7375 -39.7375 -35.9503 -35.9503 -35.9404 -35.9404 -18.9569 -18.9569 -18.7512 -18.7512 -18.4862 -18.4862 -18.3783 -18.3783 -18.2628 -18.2628 -18.1859 -18.1859 -9.3377 -9.3377 -8.7725 -8.7725 -8.4691 -8.4691 -8.4345 -8.4345 4.2827 4.2827 4.5961 4.5961 4.7812 4.7812 4.8069 4.8069 4.9629 4.9629 5.2497 5.2497 5.7798 5.7798 6.1422 6.1422 6.1842 6.1842 6.6871 6.6871 6.9757 6.9757 7.0025 7.0025 11.2832 11.2832 12.0934 12.0934 12.1826 12.1826 12.5359 12.5359 12.8289 12.8301 k =-0.0588 0.0926 0.1097 ( 9705 PWs) bands (ev): -39.8165 -39.8165 -39.7372 -39.7372 -35.9504 -35.9504 -35.9404 -35.9404 -18.9563 -18.9563 -18.7478 -18.7478 -18.4868 -18.4868 -18.3759 -18.3759 -18.2616 -18.2616 -18.1863 -18.1863 -9.3487 -9.3487 -8.7781 -8.7781 -8.4753 -8.4753 -8.4393 -8.4393 4.2863 4.2863 4.6250 4.6250 4.7780 4.7780 4.8218 4.8218 4.9603 4.9603 5.2361 5.2361 5.7715 5.7715 6.1691 6.1691 6.2063 6.2063 6.7464 6.7464 6.9846 6.9846 7.0109 7.0109 11.2369 11.2369 12.0992 12.0992 12.1683 12.1683 12.5187 12.5187 12.8220 12.8232 k =-0.0522 0.0823 0.0975 ( 9695 PWs) bands (ev): -39.8168 -39.8168 -39.7370 -39.7370 -35.9504 -35.9504 -35.9403 -35.9403 -18.9558 -18.9558 -18.7447 -18.7447 -18.4873 -18.4873 -18.3736 -18.3736 -18.2605 -18.2605 -18.1866 -18.1866 -9.3589 -9.3589 -8.7836 -8.7836 -8.4806 -8.4806 -8.4436 -8.4436 4.2890 4.2890 4.6520 4.6520 4.7751 4.7751 4.8379 4.8379 4.9579 4.9579 5.2208 5.2208 5.7630 5.7630 6.1936 6.1936 6.2277 6.2277 6.8022 6.8022 6.9925 6.9925 7.0185 7.0185 11.1944 11.1944 12.1044 12.1044 12.1568 12.1568 12.5027 12.5027 12.8164 12.8185 k =-0.0457 0.0720 0.0853 ( 9691 PWs) bands (ev): -39.8171 -39.8171 -39.7367 -39.7367 -35.9504 -35.9504 -35.9403 -35.9403 -18.9553 -18.9553 -18.7420 -18.7420 -18.4878 -18.4878 -18.3716 -18.3716 -18.2596 -18.2596 -18.1870 -18.1870 -9.3681 -9.3681 -8.7887 -8.7887 -8.4851 -8.4851 -8.4474 -8.4474 4.2910 4.2910 4.6767 4.6767 4.7726 4.7726 4.8550 4.8550 4.9559 4.9559 5.2045 5.2045 5.7545 5.7545 6.2157 6.2157 6.2479 6.2479 6.8535 6.8535 6.9993 6.9993 7.0253 7.0253 11.1560 11.1560 12.1088 12.1088 12.1478 12.1478 12.4881 12.4881 12.8107 12.8116 k =-0.0392 0.0617 0.0731 ( 9705 PWs) bands (ev): -39.8174 -39.8174 -39.7366 -39.7366 -35.9505 -35.9505 -35.9403 -35.9403 -18.9549 -18.9549 -18.7395 -18.7395 -18.4882 -18.4882 -18.3697 -18.3697 -18.2588 -18.2588 -18.1873 -18.1873 -9.3761 -9.3761 -8.7935 -8.7935 -8.4889 -8.4889 -8.4506 -8.4506 4.2925 4.2925 4.6988 4.6988 4.7704 4.7704 4.8727 4.8727 4.9542 4.9542 5.1874 5.1874 5.7465 5.7465 6.2351 6.2351 6.2665 6.2665 6.8992 6.8992 7.0054 7.0054 7.0314 7.0314 11.1221 11.1221 12.1125 12.1125 12.1410 12.1410 12.4750 12.4750 12.8066 12.8127 k =-0.0326 0.0514 0.0609 ( 9731 PWs) bands (ev): -39.8176 -39.8176 -39.7364 -39.7364 -35.9505 -35.9505 -35.9403 -35.9403 -18.9546 -18.9546 -18.7375 -18.7375 -18.4885 -18.4885 -18.3681 -18.3681 -18.2581 -18.2581 -18.1875 -18.1875 -9.3831 -9.3831 -8.7977 -8.7977 -8.4919 -8.4919 -8.4533 -8.4533 4.2935 4.2935 4.7181 4.7181 4.7685 4.7685 4.8904 4.8904 4.9528 4.9528 5.1701 5.1701 5.7391 5.7391 6.2519 6.2519 6.2829 6.2829 6.9382 6.9382 7.0111 7.0111 7.0367 7.0367 11.0929 11.0929 12.1153 12.1153 12.1363 12.1363 12.4637 12.4637 12.8021 12.8027 k =-0.0261 0.0411 0.0487 ( 9731 PWs) bands (ev): -39.8178 -39.8178 -39.7363 -39.7363 -35.9505 -35.9505 -35.9403 -35.9403 -18.9543 -18.9543 -18.7358 -18.7358 -18.4888 -18.4888 -18.3668 -18.3668 -18.2575 -18.2575 -18.1878 -18.1878 -9.3889 -9.3889 -8.8013 -8.8013 -8.4944 -8.4944 -8.4556 -8.4556 4.2942 4.2942 4.7342 4.7342 4.7670 4.7670 4.9077 4.9077 4.9516 4.9516 5.1532 5.1532 5.7327 5.7327 6.2659 6.2659 6.2968 6.2968 6.9687 6.9687 7.0176 7.0176 7.0414 7.0414 11.0687 11.0687 12.1173 12.1173 12.1333 12.1333 12.4542 12.4542 12.7988 12.8011 k =-0.0196 0.0309 0.0366 ( 9737 PWs) bands (ev): -39.8180 -39.8180 -39.7362 -39.7362 -35.9505 -35.9505 -35.9403 -35.9403 -18.9540 -18.9540 -18.7344 -18.7344 -18.4890 -18.4890 -18.3657 -18.3657 -18.2571 -18.2571 -18.1879 -18.1879 -9.3934 -9.3934 -8.8042 -8.8042 -8.4962 -8.4962 -8.4573 -8.4573 4.2947 4.2947 4.7470 4.7470 4.7659 4.7659 4.9236 4.9236 4.9507 4.9507 5.1376 5.1376 5.7275 5.7275 6.2770 6.2770 6.3079 6.3079 6.9885 6.9885 7.0266 7.0266 7.0457 7.0457 11.0496 11.0496 12.1184 12.1184 12.1318 12.1318 12.4466 12.4466 12.7962 12.7982 k =-0.0131 0.0206 0.0244 ( 9737 PWs) bands (ev): -39.8181 -39.8181 -39.7361 -39.7361 -35.9505 -35.9505 -35.9403 -35.9403 -18.9539 -18.9539 -18.7335 -18.7335 -18.4892 -18.4892 -18.3649 -18.3649 -18.2568 -18.2568 -18.1881 -18.1881 -9.3967 -9.3967 -8.8064 -8.8064 -8.4975 -8.4975 -8.4586 -8.4586 4.2949 4.2949 4.7560 4.7560 4.7653 4.7653 4.9369 4.9369 4.9501 4.9501 5.1244 5.1244 5.7237 5.7237 6.2849 6.2849 6.3160 6.3160 6.9982 6.9982 7.0363 7.0363 7.0500 7.0500 11.0359 11.0359 12.1188 12.1188 12.1313 12.1313 12.4412 12.4412 12.7944 12.7954 k =-0.0065 0.0103 0.0122 ( 9741 PWs) bands (ev): -39.8181 -39.8181 -39.7361 -39.7361 -35.9505 -35.9505 -35.9403 -35.9403 -18.9538 -18.9538 -18.7329 -18.7329 -18.4893 -18.4893 -18.3645 -18.3645 -18.2566 -18.2566 -18.1881 -18.1881 -9.3987 -9.3987 -8.8077 -8.8077 -8.4983 -8.4983 -8.4593 -8.4593 4.2951 4.2951 4.7608 4.7608 4.7656 4.7656 4.9459 4.9459 4.9500 4.9500 5.1154 5.1154 5.7213 5.7213 6.2898 6.2898 6.3209 6.3209 7.0022 7.0022 7.0421 7.0421 7.0547 7.0547 11.0276 11.0276 12.1189 12.1189 12.1312 12.1312 12.4379 12.4379 12.7927 12.7931 k = 0.0000 0.0000 0.0000 ( 9753 PWs) bands (ev): -39.8181 -39.8181 -39.7361 -39.7361 -35.9505 -35.9505 -35.9403 -35.9403 -18.9537 -18.9537 -18.7327 -18.7327 -18.4893 -18.4893 -18.3643 -18.3643 -18.2565 -18.2565 -18.1882 -18.1882 -9.3993 -9.3993 -8.8081 -8.8081 -8.4986 -8.4986 -8.4595 -8.4595 4.2951 4.2951 4.7619 4.7619 4.7663 4.7663 4.9484 4.9484 4.9507 4.9507 5.1121 5.1121 5.7205 5.7205 6.2914 6.2914 6.3225 6.3225 7.0033 7.0033 7.0437 7.0437 7.0569 7.0569 11.0248 11.0248 12.1190 12.1190 12.1312 12.1312 12.4368 12.4368 12.7925 12.7942 k = 0.0000 0.0000 0.0000 ( 9753 PWs) bands (ev): -39.8181 -39.8181 -39.7361 -39.7361 -35.9505 -35.9505 -35.9403 -35.9403 -18.9537 -18.9537 -18.7327 -18.7327 -18.4893 -18.4893 -18.3643 -18.3643 -18.2565 -18.2565 -18.1882 -18.1882 -9.3993 -9.3993 -8.8081 -8.8081 -8.4986 -8.4986 -8.4595 -8.4595 4.2951 4.2951 4.7619 4.7619 4.7663 4.7663 4.9484 4.9484 4.9507 4.9507 5.1121 5.1121 5.7205 5.7205 6.2914 6.2914 6.3225 6.3225 7.0033 7.0033 7.0437 7.0437 7.0569 7.0569 11.0248 11.0248 12.1190 12.1190 12.1312 12.1312 12.4368 12.4368 12.7924 12.7931 k = 0.0147 0.0093-0.0000 ( 9737 PWs) bands (ev): -39.8181 -39.8181 -39.7361 -39.7361 -35.9505 -35.9505 -35.9403 -35.9403 -18.9536 -18.9536 -18.7328 -18.7328 -18.4892 -18.4892 -18.3643 -18.3643 -18.2565 -18.2565 -18.1883 -18.1883 -9.3987 -9.3987 -8.8081 -8.8081 -8.4989 -8.4989 -8.4598 -8.4598 4.2942 4.2942 4.7592 4.7592 4.7634 4.7634 4.9519 4.9519 4.9541 4.9541 5.1130 5.1130 5.7228 5.7228 6.2911 6.2911 6.3223 6.3223 7.0013 7.0013 7.0422 7.0422 7.0564 7.0564 11.0255 11.0255 12.1161 12.1161 12.1283 12.1283 12.4359 12.4359 12.7951 12.7963 k = 0.0294 0.0187-0.0000 ( 9733 PWs) bands (ev): -39.8180 -39.8180 -39.7362 -39.7362 -35.9505 -35.9505 -35.9403 -35.9403 -18.9532 -18.9532 -18.7332 -18.7332 -18.4890 -18.4890 -18.3641 -18.3641 -18.2565 -18.2565 -18.1888 -18.1888 -9.3969 -9.3969 -8.8083 -8.8083 -8.4998 -8.4998 -8.4606 -8.4606 4.2914 4.2914 4.7516 4.7516 4.7554 4.7554 4.9621 4.9621 4.9639 4.9639 5.1155 5.1155 5.7295 5.7295 6.2904 6.2904 6.3214 6.3214 6.9948 6.9948 7.0384 7.0384 7.0552 7.0552 11.0274 11.0274 12.1078 12.1078 12.1196 12.1196 12.4333 12.4333 12.8029 12.8032 k = 0.0441 0.0280-0.0000 ( 9733 PWs) bands (ev): -39.8178 -39.8178 -39.7365 -39.7365 -35.9505 -35.9505 -35.9403 -35.9403 -18.9526 -18.9526 -18.7339 -18.7339 -18.4885 -18.4885 -18.3637 -18.3637 -18.2565 -18.2565 -18.1897 -18.1897 -9.3938 -9.3938 -8.8086 -8.8086 -8.5013 -8.5013 -8.4619 -8.4619 4.2869 4.2869 4.7403 4.7403 4.7437 4.7437 4.9773 4.9773 4.9787 4.9787 5.1197 5.1197 5.7406 5.7406 6.2892 6.2892 6.3200 6.3200 6.9828 6.9828 7.0332 7.0332 7.0530 7.0530 11.0307 11.0307 12.0943 12.0943 12.1055 12.1055 12.4290 12.4290 12.8158 12.8163 k = 0.0588 0.0373-0.0000 ( 9721 PWs) bands (ev): -39.8175 -39.8175 -39.7368 -39.7368 -35.9504 -35.9504 -35.9403 -35.9403 -18.9517 -18.9517 -18.7348 -18.7348 -18.4879 -18.4879 -18.3633 -18.3633 -18.2566 -18.2566 -18.1908 -18.1908 -9.3896 -9.3896 -8.8089 -8.8089 -8.5034 -8.5034 -8.4638 -8.4638 4.2810 4.2810 4.7266 4.7266 4.7295 4.7295 4.9964 4.9964 4.9973 4.9973 5.1256 5.1256 5.7557 5.7557 6.2874 6.2874 6.3180 6.3180 6.9646 6.9646 7.0278 7.0278 7.0501 7.0501 11.0353 11.0353 12.0762 12.0762 12.0868 12.0868 12.4229 12.4229 12.8321 12.8336 k = 0.0735 0.0467-0.0000 ( 9713 PWs) bands (ev): -39.8171 -39.8171 -39.7372 -39.7372 -35.9504 -35.9504 -35.9404 -35.9404 -18.9506 -18.9506 -18.7360 -18.7360 -18.4872 -18.4872 -18.3627 -18.3627 -18.2566 -18.2566 -18.1923 -18.1923 -9.3842 -9.3842 -8.8093 -8.8093 -8.5061 -8.5061 -8.4662 -8.4662 4.2739 4.2739 4.7115 4.7115 4.7140 4.7140 5.0182 5.0182 5.0187 5.0187 5.1330 5.1330 5.7745 5.7745 6.2852 6.2852 6.3155 6.3155 6.9402 6.9402 7.0223 7.0223 7.0463 7.0463 11.0412 11.0412 12.0540 12.0540 12.0639 12.0639 12.4151 12.4151 12.8525 12.8535 k = 0.0882 0.0560-0.0000 ( 9705 PWs) bands (ev): -39.8166 -39.8166 -39.7376 -39.7376 -35.9503 -35.9503 -35.9404 -35.9404 -18.9492 -18.9492 -18.7374 -18.7374 -18.4862 -18.4862 -18.3621 -18.3621 -18.2566 -18.2566 -18.1941 -18.1941 -9.3775 -9.3775 -8.8098 -8.8098 -8.5093 -8.5093 -8.4691 -8.4691 4.2659 4.2659 4.6958 4.6958 4.6979 4.6979 5.0420 5.0420 5.0422 5.0422 5.1418 5.1418 5.7967 5.7967 6.2824 6.2824 6.3124 6.3124 6.9101 6.9101 7.0168 7.0168 7.0418 7.0418 11.0484 11.0484 12.0285 12.0285 12.0376 12.0376 12.4056 12.4056 12.8754 12.8779 k = 0.1029 0.0653-0.0000 ( 9705 PWs) bands (ev): -39.8160 -39.8160 -39.7382 -39.7382 -35.9503 -35.9503 -35.9405 -35.9405 -18.9476 -18.9476 -18.7391 -18.7391 -18.4851 -18.4851 -18.3613 -18.3613 -18.2567 -18.2567 -18.1962 -18.1962 -9.3698 -9.3698 -8.8103 -8.8103 -8.5131 -8.5131 -8.4727 -8.4727 4.2573 4.2573 4.6797 4.6797 4.6815 4.6815 5.0672 5.0672 5.0673 5.0673 5.1520 5.1520 5.8217 5.8217 6.2791 6.2791 6.3086 6.3086 6.8747 6.8747 7.0110 7.0110 7.0365 7.0365 11.0568 11.0568 12.0002 12.0002 12.0085 12.0085 12.3945 12.3945 12.9010 12.9026 k = 0.1176 0.0747-0.0000 ( 9705 PWs) bands (ev): -39.8154 -39.8154 -39.7388 -39.7388 -35.9502 -35.9502 -35.9406 -35.9406 -18.9457 -18.9457 -18.7410 -18.7410 -18.4838 -18.4838 -18.3605 -18.3605 -18.2567 -18.2567 -18.1985 -18.1985 -9.3609 -9.3609 -8.8109 -8.8109 -8.5174 -8.5174 -8.4769 -8.4769 4.2487 4.2487 4.6638 4.6638 4.6652 4.6652 5.0936 5.0936 5.0937 5.0937 5.1634 5.1634 5.8491 5.8491 6.2753 6.2753 6.3043 6.3043 6.8349 6.8349 7.0049 7.0049 7.0306 7.0306 11.0666 11.0666 11.9696 11.9696 11.9772 11.9772 12.3818 12.3818 12.9281 12.9299 k = 0.1324 0.0840-0.0000 ( 9697 PWs) bands (ev): -39.8147 -39.8147 -39.7396 -39.7396 -35.9501 -35.9501 -35.9407 -35.9407 -18.9436 -18.9436 -18.7431 -18.7431 -18.4823 -18.4823 -18.3596 -18.3596 -18.2568 -18.2568 -18.2012 -18.2012 -9.3509 -9.3509 -8.8114 -8.8114 -8.5223 -8.5223 -8.4816 -8.4816 4.2403 4.2403 4.6480 4.6480 4.6492 4.6492 5.1210 5.1210 5.1210 5.1210 5.1759 5.1759 5.8785 5.8785 6.2708 6.2708 6.2993 6.2993 6.7911 6.7911 6.9984 6.9984 7.0240 7.0240 11.0776 11.0776 11.9372 11.9372 11.9442 11.9442 12.3675 12.3675 12.9567 12.9577 k = 0.1471 0.0933-0.0000 ( 9689 PWs) bands (ev): -39.8139 -39.8139 -39.7404 -39.7404 -35.9500 -35.9500 -35.9408 -35.9408 -18.9413 -18.9413 -18.7455 -18.7455 -18.4806 -18.4806 -18.3586 -18.3586 -18.2569 -18.2569 -18.2041 -18.2041 -9.3398 -9.3398 -8.8119 -8.8119 -8.5276 -8.5276 -8.4871 -8.4871 4.2325 4.2325 4.6327 4.6327 4.6336 4.6336 5.1488 5.1488 5.1493 5.1493 5.1894 5.1894 5.9093 5.9093 6.2659 6.2659 6.2937 6.2937 6.7441 6.7441 6.9915 6.9915 7.0169 7.0169 11.0898 11.0898 11.9035 11.9035 11.9098 11.9098 12.3517 12.3517 12.9858 12.9872 k = 0.1618 0.1027-0.0000 ( 9717 PWs) bands (ev): -39.8130 -39.8130 -39.7413 -39.7413 -35.9499 -35.9499 -35.9409 -35.9409 -18.9388 -18.9388 -18.7480 -18.7480 -18.4788 -18.4788 -18.3576 -18.3576 -18.2570 -18.2570 -18.2072 -18.2072 -9.3276 -9.3276 -8.8124 -8.8124 -8.5334 -8.5334 -8.4932 -8.4932 4.2256 4.2256 4.6178 4.6178 4.6185 4.6185 5.1766 5.1766 5.1783 5.1783 5.2041 5.2041 5.9411 5.9411 6.2603 6.2603 6.2874 6.2874 6.6944 6.6944 6.9842 6.9842 7.0092 7.0092 11.1032 11.1032 11.8687 11.8687 11.8745 11.8745 12.3344 12.3344 13.0160 13.0172 k = 0.1765 0.1120-0.0000 ( 9709 PWs) bands (ev): -39.8120 -39.8120 -39.7422 -39.7422 -35.9498 -35.9498 -35.9410 -35.9410 -18.9361 -18.9361 -18.7508 -18.7508 -18.4768 -18.4768 -18.3567 -18.3567 -18.2571 -18.2571 -18.2105 -18.2105 -9.3145 -9.3145 -8.8128 -8.8128 -8.5396 -8.5396 -8.4999 -8.4999 4.2199 4.2199 4.6034 4.6034 4.6040 4.6040 5.2023 5.2023 5.2079 5.2079 5.2216 5.2216 5.9734 5.9734 6.2541 6.2541 6.2805 6.2805 6.6427 6.6427 6.9766 6.9766 7.0011 7.0011 11.1179 11.1179 11.8333 11.8333 11.8385 11.8385 12.3157 12.3157 13.0464 13.0473 k = 0.1912 0.1213-0.0000 ( 9701 PWs) bands (ev): -39.8110 -39.8110 -39.7433 -39.7433 -35.9496 -35.9496 -35.9412 -35.9412 -18.9332 -18.9332 -18.7537 -18.7537 -18.4746 -18.4746 -18.3557 -18.3557 -18.2573 -18.2573 -18.2140 -18.2140 -9.3004 -9.3004 -8.8131 -8.8131 -8.5462 -8.5462 -8.5074 -8.5074 4.2158 4.2158 4.5896 4.5896 4.5901 4.5901 5.2219 5.2219 5.2381 5.2381 5.2454 5.2454 6.0058 6.0058 6.2472 6.2472 6.2728 6.2728 6.5898 6.5898 6.9687 6.9687 6.9927 6.9927 11.1337 11.1337 11.7975 11.7975 11.8022 11.8022 12.2957 12.2957 13.0775 13.0793 k = 0.2059 0.1307-0.0000 ( 9709 PWs) bands (ev): -39.8099 -39.8099 -39.7444 -39.7444 -35.9495 -35.9495 -35.9413 -35.9413 -18.9300 -18.9300 -18.7568 -18.7568 -18.4722 -18.4722 -18.3548 -18.3548 -18.2574 -18.2574 -18.2176 -18.2176 -9.2853 -9.2853 -8.8132 -8.8132 -8.5532 -8.5532 -8.5155 -8.5155 4.2134 4.2134 4.5764 4.5764 4.5767 4.5767 5.2365 5.2365 5.2688 5.2688 5.2740 5.2740 6.0379 6.0379 6.2397 6.2397 6.2644 6.2644 6.5364 6.5364 6.9607 6.9607 6.9840 6.9840 11.1507 11.1507 11.7616 11.7616 11.7659 11.7659 12.2743 12.2743 13.1080 13.1094 k = 0.2206 0.1400-0.0000 ( 9693 PWs) bands (ev): -39.8087 -39.8087 -39.7456 -39.7456 -35.9494 -35.9494 -35.9415 -35.9415 -18.9267 -18.9267 -18.7601 -18.7601 -18.4696 -18.4696 -18.3539 -18.3539 -18.2576 -18.2576 -18.2214 -18.2214 -9.2694 -9.2694 -8.8133 -8.8133 -8.5605 -8.5605 -8.5244 -8.5244 4.2131 4.2131 4.5639 4.5639 4.5641 4.5641 5.2484 5.2484 5.2998 5.2998 5.3041 5.3041 6.0692 6.0692 6.2315 6.2315 6.2552 6.2552 6.4834 6.4834 6.9525 6.9525 6.9750 6.9750 11.1689 11.1689 11.7258 11.7258 11.7297 11.7297 12.2517 12.2517 13.1385 13.1408 k = 0.2353 0.1493-0.0000 ( 9700 PWs) bands (ev): -39.8075 -39.8075 -39.7468 -39.7468 -35.9492 -35.9492 -35.9416 -35.9416 -18.9233 -18.9233 -18.7636 -18.7636 -18.4668 -18.4668 -18.3532 -18.3532 -18.2578 -18.2578 -18.2252 -18.2252 -9.2526 -9.2526 -8.8131 -8.8131 -8.5681 -8.5681 -8.5340 -8.5340 4.2150 4.2150 4.5520 4.5520 4.5521 4.5521 5.2579 5.2579 5.3311 5.3311 5.3350 5.3350 6.0996 6.0996 6.2226 6.2226 6.2453 6.2453 6.4318 6.4318 6.9442 6.9442 6.9659 6.9659 11.1881 11.1881 11.6903 11.6903 11.6939 11.6939 12.2279 12.2279 13.1674 13.1698 k = 0.2500 0.1587-0.0000 ( 9700 PWs) bands (ev): -39.8062 -39.8062 -39.7481 -39.7481 -35.9490 -35.9490 -35.9418 -35.9418 -18.9196 -18.9196 -18.7672 -18.7672 -18.4638 -18.4638 -18.3526 -18.3526 -18.2581 -18.2581 -18.2291 -18.2291 -9.2350 -9.2350 -8.8129 -8.8129 -8.5760 -8.5760 -8.5442 -8.5442 4.2192 4.2192 4.5407 4.5407 4.5407 4.5407 5.2646 5.2646 5.3626 5.3626 5.3663 5.3663 6.1285 6.1285 6.2130 6.2130 6.2345 6.2345 6.3824 6.3824 6.9360 6.9360 6.9568 6.9568 11.2084 11.2084 11.6555 11.6555 11.6587 11.6587 12.2030 12.2030 13.1966 13.1976 k = 0.2647 0.1680-0.0000 ( 9712 PWs) bands (ev): -39.8048 -39.8048 -39.7495 -39.7495 -35.9489 -35.9489 -35.9420 -35.9420 -18.9158 -18.9158 -18.7709 -18.7709 -18.4607 -18.4607 -18.3522 -18.3522 -18.2583 -18.2583 -18.2329 -18.2329 -9.2167 -9.2167 -8.8124 -8.8124 -8.5841 -8.5841 -8.5552 -8.5552 4.2260 4.2260 4.5300 4.5300 4.5302 4.5302 5.2677 5.2677 5.3943 5.3943 5.3978 5.3978 6.1557 6.1557 6.2026 6.2026 6.2229 6.2229 6.3363 6.3363 6.9278 6.9278 6.9477 6.9477 11.2298 11.2298 11.6214 11.6214 11.6243 11.6243 12.1770 12.1770 13.2251 13.2270 k = 0.2794 0.1773-0.0000 ( 9712 PWs) bands (ev): -39.8034 -39.8034 -39.7510 -39.7510 -35.9487 -35.9487 -35.9422 -35.9422 -18.9119 -18.9119 -18.7748 -18.7748 -18.4574 -18.4574 -18.3521 -18.3521 -18.2586 -18.2586 -18.2367 -18.2367 -9.1978 -9.1978 -8.8118 -8.8118 -8.5924 -8.5924 -8.5668 -8.5668 4.2354 4.2354 4.5200 4.5200 4.5202 4.5202 5.2664 5.2664 5.4261 5.4261 5.4294 5.4294 6.1810 6.1810 6.1915 6.1915 6.2104 6.2104 6.2945 6.2945 6.9198 6.9198 6.9386 6.9386 11.2522 11.2522 11.5884 11.5884 11.5910 11.5910 12.1501 12.1501 13.2527 13.2539 k = 0.2941 0.1867-0.0000 ( 9716 PWs) bands (ev): -39.8019 -39.8019 -39.7524 -39.7524 -35.9485 -35.9485 -35.9423 -35.9423 -18.9078 -18.9078 -18.7788 -18.7788 -18.4539 -18.4539 -18.3521 -18.3521 -18.2589 -18.2589 -18.2404 -18.2404 -9.1782 -9.1782 -8.8111 -8.8111 -8.6008 -8.6008 -8.5791 -8.5791 4.2476 4.2476 4.5107 4.5107 4.5110 4.5110 5.2600 5.2600 5.4579 5.4579 5.4610 5.4610 6.1794 6.1794 6.1970 6.1970 6.2042 6.2042 6.2580 6.2580 6.9120 6.9120 6.9298 6.9298 11.2755 11.2755 11.5565 11.5565 11.5588 11.5588 12.1223 12.1223 13.2789 13.2795 k = 0.3088 0.1960-0.0000 ( 9708 PWs) bands (ev): -39.8004 -39.8004 -39.7540 -39.7540 -35.9483 -35.9483 -35.9425 -35.9425 -18.9037 -18.9037 -18.7829 -18.7829 -18.4502 -18.4502 -18.3525 -18.3525 -18.2593 -18.2593 -18.2440 -18.2440 -9.1580 -9.1580 -8.8102 -8.8102 -8.6093 -8.6093 -8.5919 -8.5919 4.2626 4.2626 4.5020 4.5020 4.5024 4.5024 5.2478 5.2478 5.4896 5.4896 5.4926 5.4926 6.1667 6.1667 6.1827 6.1827 6.2249 6.2249 6.2277 6.2277 6.9045 6.9045 6.9212 6.9212 11.2998 11.2998 11.5259 11.5259 11.5280 11.5280 12.0937 12.0937 13.3043 13.3059 k = 0.3235 0.2053-0.0000 ( 9708 PWs) bands (ev): -39.7988 -39.7988 -39.7556 -39.7556 -35.9481 -35.9481 -35.9427 -35.9427 -18.8994 -18.8994 -18.7871 -18.7871 -18.4463 -18.4463 -18.3532 -18.3532 -18.2597 -18.2597 -18.2473 -18.2473 -9.1374 -9.1374 -8.8094 -8.8094 -8.6178 -8.6178 -8.6052 -8.6052 4.2804 4.2804 4.4941 4.4941 4.4945 4.4945 5.2296 5.2296 5.5211 5.5211 5.5239 5.5239 6.1531 6.1531 6.1674 6.1674 6.2038 6.2038 6.2430 6.2430 6.8973 6.8973 6.9128 6.9128 11.3250 11.3250 11.4969 11.4969 11.4987 11.4987 12.0643 12.0643 13.3284 13.3298 k = 0.3382 0.2147-0.0000 ( 9692 PWs) bands (ev): -39.7972 -39.7972 -39.7572 -39.7572 -35.9479 -35.9479 -35.9429 -35.9429 -18.8950 -18.8950 -18.7914 -18.7914 -18.4423 -18.4423 -18.3543 -18.3543 -18.2601 -18.2601 -18.2504 -18.2504 -9.1164 -9.1164 -8.8085 -8.8085 -8.6264 -8.6264 -8.6189 -8.6189 4.3011 4.3011 4.4867 4.4867 4.4872 4.4872 5.2051 5.2051 5.5524 5.5524 5.5550 5.5550 6.1387 6.1387 6.1516 6.1516 6.1864 6.1864 6.2585 6.2585 6.8906 6.8906 6.9049 6.9049 11.3510 11.3510 11.4696 11.4696 11.4711 11.4711 12.0342 12.0342 13.3507 13.3520 k = 0.3529 0.2240-0.0000 ( 9700 PWs) bands (ev): -39.7955 -39.7955 -39.7589 -39.7589 -35.9477 -35.9477 -35.9432 -35.9432 -18.8905 -18.8905 -18.7958 -18.7958 -18.4381 -18.4381 -18.3558 -18.3558 -18.2605 -18.2605 -18.2532 -18.2532 -9.0950 -9.0950 -8.8079 -8.8079 -8.6349 -8.6349 -8.6327 -8.6327 4.3247 4.3247 4.4801 4.4801 4.4807 4.4807 5.1746 5.1746 5.5833 5.5833 5.5857 5.5857 6.1236 6.1236 6.1354 6.1354 6.1751 6.1751 6.2713 6.2713 6.8843 6.8843 6.8974 6.8974 11.3778 11.3778 11.4442 11.4442 11.4454 11.4454 12.0036 12.0036 13.3717 13.3733 k = 0.3676 0.2333-0.0000 ( 9692 PWs) bands (ev): -39.7938 -39.7938 -39.7606 -39.7606 -35.9475 -35.9475 -35.9434 -35.9434 -18.8859 -18.8859 -18.8003 -18.8003 -18.4338 -18.4338 -18.3577 -18.3577 -18.2609 -18.2609 -18.2556 -18.2556 -9.0733 -9.0733 -8.8076 -8.8076 -8.6466 -8.6466 -8.6433 -8.6433 4.3512 4.3512 4.4741 4.4741 4.4748 4.4748 5.1387 5.1387 5.6138 5.6138 5.6159 5.6159 6.1078 6.1078 6.1186 6.1186 6.1696 6.1696 6.2812 6.2812 6.8786 6.8786 6.8904 6.8904 11.4043 11.4043 11.4217 11.4217 11.4218 11.4218 11.9724 11.9724 13.3911 13.3925 k = 0.3824 0.2427-0.0000 ( 9688 PWs) bands (ev): -39.7920 -39.7920 -39.7624 -39.7624 -35.9473 -35.9473 -35.9436 -35.9436 -18.8813 -18.8813 -18.8048 -18.8048 -18.4294 -18.4294 -18.3601 -18.3601 -18.2613 -18.2613 -18.2578 -18.2578 -9.0515 -9.0515 -8.8080 -8.8080 -8.6600 -8.6600 -8.6515 -8.6515 4.3804 4.3804 4.4687 4.4687 4.4696 4.4696 5.0983 5.0983 5.6436 5.6436 5.6454 5.6454 6.0913 6.0913 6.1012 6.1012 6.1692 6.1692 6.2883 6.2883 6.8734 6.8734 6.8840 6.8840 11.3982 11.3982 11.4000 11.4000 11.4348 11.4348 11.9408 11.9408 13.4092 13.4100 k = 0.3971 0.2520-0.0000 ( 9660 PWs) bands (ev): -39.7903 -39.7903 -39.7642 -39.7642 -35.9471 -35.9471 -35.9438 -35.9438 -18.8766 -18.8766 -18.8094 -18.8094 -18.4248 -18.4248 -18.3628 -18.3628 -18.2618 -18.2618 -18.2595 -18.2595 -9.0296 -9.0296 -8.8095 -8.8095 -8.6727 -8.6727 -8.6596 -8.6596 4.4121 4.4121 4.4640 4.4640 4.4653 4.4653 5.0541 5.0541 5.6727 5.6727 5.6741 5.6741 6.0742 6.0742 6.0832 6.0832 6.1732 6.1732 6.2925 6.2925 6.8688 6.8688 6.8781 6.8781 11.3794 11.3794 11.3807 11.3807 11.4635 11.4635 11.9089 11.9089 13.4246 13.4254 k = 0.4118 0.2614-0.0000 ( 9660 PWs) bands (ev): -39.7884 -39.7884 -39.7660 -39.7660 -35.9469 -35.9469 -35.9440 -35.9440 -18.8718 -18.8718 -18.8141 -18.8141 -18.4201 -18.4201 -18.3660 -18.3660 -18.2622 -18.2622 -18.2610 -18.2610 -9.0076 -9.0076 -8.8125 -8.8125 -8.6841 -8.6841 -8.6673 -8.6673 4.4444 4.4444 4.4599 4.4599 4.4638 4.4638 5.0070 5.0070 5.7007 5.7007 5.7018 5.7018 6.0569 6.0569 6.0648 6.0648 6.1807 6.1807 6.2940 6.2940 6.8649 6.8649 6.8728 6.8728 11.3626 11.3626 11.3636 11.3636 11.4931 11.4931 11.8766 11.8766 13.4386 13.4393 k = 0.4265 0.2707-0.0000 ( 9676 PWs) bands (ev): -39.7866 -39.7866 -39.7678 -39.7678 -35.9466 -35.9466 -35.9443 -35.9443 -18.8671 -18.8671 -18.8188 -18.8188 -18.4153 -18.4153 -18.3695 -18.3695 -18.2627 -18.2627 -18.2621 -18.2621 -8.9858 -8.9858 -8.8178 -8.8178 -8.6934 -8.6934 -8.6748 -8.6748 4.4548 4.4548 4.4565 4.4565 4.4874 4.4874 4.9580 4.9580 5.7273 5.7273 5.7281 5.7281 6.0394 6.0394 6.0463 6.0463 6.1908 6.1908 6.2929 6.2929 6.8616 6.8616 6.8682 6.8682 11.3482 11.3482 11.3490 11.3490 11.5233 11.5233 11.8441 11.8441 13.4506 13.4507 k = 0.4412 0.2800-0.0000 ( 9676 PWs) bands (ev): -39.7848 -39.7848 -39.7697 -39.7697 -35.9464 -35.9464 -35.9445 -35.9445 -18.8622 -18.8622 -18.8235 -18.8235 -18.4105 -18.4105 -18.3734 -18.3734 -18.2631 -18.2631 -18.2630 -18.2630 -8.9642 -8.9642 -8.8257 -8.8257 -8.7003 -8.7003 -8.6818 -8.6818 4.4531 4.4531 4.4537 4.4537 4.5263 4.5263 4.9077 4.9077 5.7520 5.7520 5.7524 5.7524 6.0224 6.0224 6.0281 6.0281 6.2027 6.2027 6.2893 6.2893 6.8590 6.8590 6.8643 6.8643 11.3364 11.3364 11.3370 11.3370 11.5541 11.5541 11.8115 11.8115 13.4603 13.4606 k = 0.4559 0.2894-0.0000 ( 9696 PWs) bands (ev): -39.7829 -39.7829 -39.7715 -39.7715 -35.9462 -35.9462 -35.9448 -35.9448 -18.8574 -18.8574 -18.8283 -18.8283 -18.4057 -18.4057 -18.3775 -18.3775 -18.2636 -18.2636 -18.2634 -18.2634 -8.9430 -8.9430 -8.8365 -8.8365 -8.7044 -8.7044 -8.6882 -8.6882 4.4512 4.4512 4.4515 4.4515 4.5683 4.5683 4.8569 4.8569 5.7741 5.7741 5.7742 5.7742 6.0066 6.0066 6.0111 6.0111 6.2155 6.2155 6.2834 6.2834 6.8571 6.8571 6.8611 6.8611 11.3270 11.3270 11.3275 11.3275 11.5853 11.5853 11.7789 11.7789 13.4679 13.4683 k = 0.4706 0.2987-0.0000 ( 9696 PWs) bands (ev): -39.7810 -39.7810 -39.7734 -39.7734 -35.9459 -35.9459 -35.9450 -35.9450 -18.8526 -18.8526 -18.8331 -18.8331 -18.4008 -18.4008 -18.3819 -18.3819 -18.2639 -18.2639 -18.2637 -18.2637 -8.9223 -8.9223 -8.8500 -8.8500 -8.7059 -8.7059 -8.6940 -8.6940 4.4498 4.4498 4.4499 4.4499 4.6126 4.6126 4.8062 4.8062 5.7920 5.7920 5.7921 5.7921 5.9933 5.9933 5.9964 5.9964 6.2288 6.2288 6.2754 6.2754 6.8559 6.8559 6.8586 6.8586 11.3204 11.3204 11.3207 11.3207 11.6169 11.6169 11.7462 11.7462 13.4734 13.4736 k = 0.4853 0.3080-0.0000 ( 9720 PWs) bands (ev): -39.7791 -39.7791 -39.7753 -39.7753 -35.9457 -35.9457 -35.9452 -35.9452 -18.8477 -18.8477 -18.8380 -18.8380 -18.3959 -18.3959 -18.3864 -18.3864 -18.2641 -18.2641 -18.2640 -18.2640 -8.9023 -8.9023 -8.8658 -8.8658 -8.7052 -8.7052 -8.6989 -8.6989 4.4489 4.4489 4.4490 4.4490 4.6588 4.6588 4.7559 4.7559 5.8041 5.8041 5.8042 5.8042 5.9842 5.9842 5.9859 5.9859 6.2419 6.2419 6.2656 6.2656 6.8555 6.8555 6.8568 6.8568 11.3164 11.3164 11.3165 11.3165 11.6489 11.6489 11.7136 11.7136 13.4768 13.4770 k = 0.5000 0.3174-0.0000 ( 9740 PWs) bands (ev): -39.7772 -39.7772 -39.7772 -39.7772 -35.9455 -35.9455 -35.9455 -35.9455 -18.8428 -18.8428 -18.8428 -18.8428 -18.3911 -18.3911 -18.3911 -18.3911 -18.2641 -18.2641 -18.2641 -18.2641 -8.8834 -8.8834 -8.8834 -8.8834 -8.7028 -8.7028 -8.7028 -8.7028 4.4486 4.4486 4.4486 4.4486 4.7067 4.7067 4.7067 4.7067 5.8085 5.8085 5.8085 5.8085 5.9815 5.9815 5.9815 5.9815 6.2543 6.2543 6.2543 6.2543 6.8558 6.8558 6.8558 6.8558 11.3151 11.3151 11.3151 11.3151 11.6811 11.6811 11.6811 11.6811 13.4780 13.4780 k = 0.5000 0.3174-0.0000 ( 9740 PWs) bands (ev): -39.7772 -39.7772 -39.7772 -39.7772 -35.9455 -35.9455 -35.9455 -35.9455 -18.8428 -18.8428 -18.8428 -18.8428 -18.3911 -18.3911 -18.3911 -18.3911 -18.2641 -18.2641 -18.2641 -18.2641 -8.8834 -8.8834 -8.8834 -8.8834 -8.7028 -8.7028 -8.7028 -8.7028 4.4486 4.4486 4.4486 4.4486 4.7067 4.7067 4.7067 4.7067 5.8085 5.8085 5.8085 5.8085 5.9815 5.9815 5.9815 5.9815 6.2543 6.2543 6.2543 6.2543 6.8558 6.8558 6.8558 6.8558 11.3151 11.3151 11.3151 11.3151 11.6811 11.6811 11.6811 11.6811 13.4780 13.4780 k = 0.4933 0.3278 0.0124 ( 9718 PWs) bands (ev): -39.7772 -39.7772 -39.7772 -39.7772 -35.9455 -35.9455 -35.9455 -35.9455 -18.8435 -18.8435 -18.8424 -18.8424 -18.3948 -18.3948 -18.3876 -18.3876 -18.2673 -18.2673 -18.2610 -18.2610 -8.8831 -8.8831 -8.8826 -8.8826 -8.7026 -8.7026 -8.7024 -8.7024 4.4480 4.4480 4.4490 4.4490 4.7057 4.7057 4.7068 4.7068 5.8081 5.8081 5.8084 5.8084 5.9744 5.9744 5.9806 5.9806 6.2544 6.2544 6.2601 6.2601 6.8517 6.8517 6.8549 6.8549 11.3142 11.3142 11.3156 11.3156 11.6835 11.6835 11.6843 11.6843 13.4776 13.4778 k = 0.4867 0.3383 0.0248 ( 9718 PWs) bands (ev): -39.7773 -39.7773 -39.7771 -39.7771 -35.9455 -35.9455 -35.9455 -35.9455 -18.8443 -18.8443 -18.8422 -18.8422 -18.3985 -18.3985 -18.3841 -18.3841 -18.2705 -18.2705 -18.2581 -18.2581 -8.8821 -8.8821 -8.8803 -8.8803 -8.7021 -8.7021 -8.7012 -8.7012 4.4465 4.4465 4.4498 4.4498 4.7029 4.7029 4.7070 4.7070 5.8067 5.8067 5.8080 5.8080 5.9550 5.9550 5.9779 5.9779 6.2549 6.2549 6.2758 6.2758 6.8398 6.8398 6.8522 6.8522 11.3118 11.3118 11.3169 11.3169 11.6908 11.6908 11.6933 11.6933 13.4765 13.4769 k = 0.4800 0.3488 0.0373 ( 9694 PWs) bands (ev): -39.7773 -39.7773 -39.7770 -39.7770 -35.9455 -35.9455 -35.9454 -35.9454 -18.8454 -18.8454 -18.8422 -18.8422 -18.4022 -18.4022 -18.3807 -18.3807 -18.2739 -18.2739 -18.2552 -18.2552 -8.8805 -8.8805 -8.8766 -8.8766 -8.7012 -8.7012 -8.6992 -8.6992 4.4439 4.4439 4.4512 4.4512 4.6981 4.6981 4.7074 4.7074 5.8044 5.8044 5.8073 5.8073 5.9271 5.9271 5.9733 5.9733 6.2558 6.2558 6.2975 6.2975 6.8201 6.8201 6.8479 6.8479 11.3082 11.3082 11.3193 11.3193 11.7029 11.7029 11.7080 11.7080 13.4749 13.4764 k = 0.4734 0.3593 0.0497 ( 9690 PWs) bands (ev): -39.7774 -39.7774 -39.7769 -39.7769 -35.9455 -35.9455 -35.9454 -35.9454 -18.8467 -18.8467 -18.8424 -18.8424 -18.4059 -18.4059 -18.3775 -18.3775 -18.2773 -18.2773 -18.2525 -18.2525 -8.8783 -8.8783 -8.8715 -8.8715 -8.6999 -8.6999 -8.6963 -8.6963 4.4404 4.4404 4.4531 4.4531 4.6912 4.6912 4.7080 4.7080 5.8012 5.8012 5.8060 5.8060 5.8943 5.8943 5.9670 5.9670 6.2570 6.2570 6.3220 6.3220 6.7930 6.7930 6.8419 6.8419 11.3038 11.3038 11.3230 11.3230 11.7197 11.7197 11.7277 11.7277 13.4727 13.4736 k = 0.4667 0.3698 0.0621 ( 9694 PWs) bands (ev): -39.7776 -39.7776 -39.7767 -39.7767 -35.9455 -35.9455 -35.9454 -35.9454 -18.8483 -18.8483 -18.8428 -18.8428 -18.4096 -18.4096 -18.3744 -18.3744 -18.2808 -18.2808 -18.2499 -18.2499 -8.8758 -8.8758 -8.8651 -8.8651 -8.6981 -8.6981 -8.6924 -8.6924 4.4360 4.4360 4.4555 4.4555 4.6820 4.6820 4.7087 4.7087 5.7970 5.7970 5.8038 5.8038 5.8590 5.8590 5.9589 5.9589 6.2586 6.2586 6.3469 6.3469 6.7592 6.7592 6.8344 6.8344 11.2991 11.2991 11.3283 11.3283 11.7412 11.7412 11.7519 11.7519 13.4699 13.4740 k = 0.4601 0.3803 0.0745 ( 9708 PWs) bands (ev): -39.7777 -39.7777 -39.7765 -39.7765 -35.9455 -35.9455 -35.9454 -35.9454 -18.8501 -18.8501 -18.8434 -18.8434 -18.4133 -18.4133 -18.3715 -18.3715 -18.2843 -18.2843 -18.2474 -18.2474 -8.8731 -8.8731 -8.8576 -8.8576 -8.6957 -8.6957 -8.6874 -8.6874 4.4309 4.4309 4.4585 4.4585 4.6703 4.6703 4.7096 4.7096 5.7919 5.7919 5.7994 5.7994 5.8242 5.8242 5.9492 5.9492 6.2605 6.2605 6.3707 6.3707 6.7194 6.7194 6.8255 6.8255 11.2945 11.2945 11.3357 11.3357 11.7670 11.7670 11.7801 11.7801 13.4662 13.4675 k = 0.4534 0.3907 0.0869 ( 9706 PWs) bands (ev): -39.7779 -39.7779 -39.7762 -39.7762 -35.9456 -35.9456 -35.9453 -35.9453 -18.8521 -18.8521 -18.8442 -18.8442 -18.4169 -18.4169 -18.3689 -18.3689 -18.2878 -18.2878 -18.2450 -18.2450 -8.8702 -8.8702 -8.8492 -8.8492 -8.6926 -8.6926 -8.6812 -8.6812 4.4251 4.4251 4.4621 4.4621 4.6559 4.6559 4.7107 4.7107 5.7808 5.7808 5.7859 5.7859 5.8025 5.8025 5.9379 5.9379 6.2628 6.2628 6.3924 6.3924 6.6743 6.6743 6.8154 6.8154 11.2904 11.2904 11.3456 11.3456 11.7970 11.7970 11.8118 11.8118 13.4618 13.4620 k = 0.4468 0.4012 0.0993 ( 9710 PWs) bands (ev): -39.7781 -39.7781 -39.7759 -39.7759 -35.9456 -35.9456 -35.9453 -35.9453 -18.8544 -18.8544 -18.8451 -18.8451 -18.4204 -18.4204 -18.3665 -18.3665 -18.2912 -18.2912 -18.2427 -18.2427 -8.8675 -8.8675 -8.8400 -8.8400 -8.6886 -8.6886 -8.6738 -8.6738 4.4187 4.4187 4.4662 4.4662 4.6387 4.6387 4.7119 4.7119 5.7479 5.7479 5.7787 5.7787 5.7948 5.7948 5.9251 5.9251 6.2654 6.2654 6.4114 6.4114 6.6251 6.6251 6.8042 6.8042 11.2871 11.2871 11.3584 11.3584 11.8311 11.8311 11.8464 11.8464 13.4568 13.4568 k = 0.4401 0.4117 0.1118 ( 9706 PWs) bands (ev): -39.7784 -39.7784 -39.7755 -39.7755 -35.9457 -35.9457 -35.9453 -35.9453 -18.8569 -18.8569 -18.8462 -18.8462 -18.4239 -18.4239 -18.3644 -18.3644 -18.2945 -18.2945 -18.2405 -18.2405 -8.8650 -8.8650 -8.8304 -8.8304 -8.6835 -8.6835 -8.6649 -8.6649 4.4119 4.4119 4.4709 4.4709 4.6186 4.6186 4.7133 4.7133 5.7147 5.7147 5.7706 5.7706 5.7866 5.7866 5.9109 5.9109 6.2684 6.2684 6.4273 6.4273 6.5730 6.5730 6.7922 6.7922 11.2848 11.2848 11.3744 11.3744 11.8689 11.8689 11.8835 11.8835 13.4512 13.4512 k = 0.4335 0.4222 0.1242 ( 9710 PWs) bands (ev): -39.7786 -39.7786 -39.7751 -39.7751 -35.9457 -35.9457 -35.9452 -35.9452 -18.8596 -18.8596 -18.8474 -18.8474 -18.4273 -18.4273 -18.3627 -18.3627 -18.2977 -18.2977 -18.2383 -18.2383 -8.8629 -8.8629 -8.8206 -8.8206 -8.6770 -8.6770 -8.6546 -8.6546 4.4047 4.4047 4.4761 4.4761 4.5954 4.5954 4.7149 4.7149 5.6833 5.6833 5.7614 5.7614 5.7758 5.7758 5.8953 5.8953 6.2716 6.2716 6.4397 6.4397 6.5193 6.5193 6.7795 6.7795 11.2836 11.2836 11.3940 11.3940 11.9102 11.9102 11.9229 11.9229 13.4450 13.4450 k = 0.4268 0.4327 0.1366 ( 9718 PWs) bands (ev): -39.7789 -39.7789 -39.7747 -39.7747 -35.9457 -35.9457 -35.9452 -35.9452 -18.8625 -18.8625 -18.8487 -18.8487 -18.4306 -18.4306 -18.3614 -18.3614 -18.3007 -18.3007 -18.2363 -18.2363 -8.8612 -8.8612 -8.8112 -8.8112 -8.6690 -8.6690 -8.6429 -8.6429 4.3973 4.3973 4.4819 4.4819 4.5692 4.5692 4.7165 4.7165 5.6540 5.6540 5.7512 5.7512 5.7612 5.7612 5.8786 5.8786 6.2752 6.2752 6.4479 6.4479 6.4664 6.4664 6.7663 6.7663 11.2838 11.2838 11.4174 11.4174 11.9547 11.9547 11.9641 11.9641 13.4381 13.4381 k = 0.4201 0.4432 0.1490 ( 9724 PWs) bands (ev): -39.7792 -39.7792 -39.7742 -39.7742 -35.9458 -35.9458 -35.9451 -35.9451 -18.8656 -18.8656 -18.8502 -18.8502 -18.4337 -18.4337 -18.3605 -18.3605 -18.3033 -18.3033 -18.2344 -18.2344 -8.8601 -8.8601 -8.8023 -8.8023 -8.6591 -8.6591 -8.6297 -8.6297 4.3898 4.3898 4.4882 4.4882 4.5402 4.5402 4.7183 4.7183 5.6272 5.6272 5.7398 5.7398 5.7418 5.7418 5.8607 5.8607 6.2790 6.2790 6.4131 6.4131 6.4549 6.4549 6.7528 6.7528 11.2852 11.2852 11.4449 11.4449 12.0019 12.0019 12.0070 12.0070 13.4306 13.4307 k = 0.4135 0.4537 0.1614 ( 9728 PWs) bands (ev): -39.7796 -39.7796 -39.7738 -39.7738 -35.9459 -35.9459 -35.9450 -35.9450 -18.8689 -18.8689 -18.8518 -18.8518 -18.4367 -18.4367 -18.3603 -18.3603 -18.3056 -18.3056 -18.2325 -18.2325 -8.8596 -8.8596 -8.7942 -8.7942 -8.6472 -8.6472 -8.6152 -8.6152 4.3822 4.3822 4.4944 4.4944 4.5092 4.5092 4.7202 4.7202 5.6026 5.6026 5.7161 5.7161 5.7276 5.7276 5.8419 5.8419 6.2828 6.2828 6.3654 6.3654 6.4567 6.4567 6.7392 6.7392 11.2880 11.2880 11.4765 11.4765 12.0498 12.0498 12.0531 12.0531 13.4225 13.4225 k = 0.4068 0.4641 0.1739 ( 9722 PWs) bands (ev): -39.7800 -39.7800 -39.7732 -39.7732 -35.9459 -35.9459 -35.9450 -35.9450 -18.8723 -18.8723 -18.8534 -18.8534 -18.4396 -18.4396 -18.3606 -18.3606 -18.3075 -18.3075 -18.2307 -18.2307 -8.8597 -8.8597 -8.7872 -8.7872 -8.6332 -8.6332 -8.5994 -8.5994 4.3747 4.3747 4.4737 4.4737 4.5035 4.5035 4.7221 4.7221 5.5803 5.5803 5.6837 5.6837 5.7141 5.7141 5.8222 5.8222 6.2853 6.2853 6.3242 6.3242 6.4554 6.4554 6.7257 6.7257 11.2922 11.2922 11.5124 11.5124 12.0951 12.0951 12.1048 12.1048 13.4138 13.4138 k = 0.4002 0.4746 0.1863 ( 9726 PWs) bands (ev): -39.7804 -39.7804 -39.7727 -39.7727 -35.9460 -35.9460 -35.9449 -35.9449 -18.8760 -18.8760 -18.8551 -18.8551 -18.4422 -18.4422 -18.3615 -18.3615 -18.3089 -18.3089 -18.2289 -18.2289 -8.8604 -8.8604 -8.7811 -8.7811 -8.6173 -8.6173 -8.5826 -8.5826 4.3672 4.3672 4.4380 4.4380 4.5113 4.5113 4.7238 4.7238 5.5599 5.5599 5.6440 5.6440 5.6996 5.6996 5.8017 5.8017 6.2754 6.2754 6.3020 6.3020 6.4510 6.4510 6.7125 6.7125 11.2977 11.2977 11.5523 11.5523 12.1406 12.1406 12.1590 12.1590 13.4046 13.4046 k = 0.3935 0.4851 0.1987 ( 9714 PWs) bands (ev): -39.7808 -39.7808 -39.7721 -39.7721 -35.9461 -35.9461 -35.9448 -35.9448 -18.8797 -18.8797 -18.8569 -18.8569 -18.4448 -18.4448 -18.3630 -18.3630 -18.3099 -18.3099 -18.2272 -18.2272 -8.8617 -8.8617 -8.7761 -8.7761 -8.5996 -8.5996 -8.5647 -8.5647 4.3594 4.3594 4.4011 4.4011 4.5200 4.5200 4.7254 4.7254 5.5410 5.5410 5.5973 5.5973 5.6841 5.6841 5.7806 5.7806 6.2496 6.2496 6.3030 6.3030 6.4438 6.4438 6.6997 6.6997 11.3046 11.3046 11.5962 11.5962 12.1863 12.1863 12.2149 12.2149 13.3947 13.3947 k = 0.3869 0.4956 0.2111 ( 9710 PWs) bands (ev): -39.7813 -39.7813 -39.7714 -39.7714 -35.9461 -35.9461 -35.9447 -35.9447 -18.8836 -18.8836 -18.8587 -18.8587 -18.4471 -18.4471 -18.3651 -18.3651 -18.3104 -18.3104 -18.2256 -18.2256 -8.8635 -8.8635 -8.7718 -8.7718 -8.5804 -8.5804 -8.5461 -8.5461 4.3482 4.3482 4.3667 4.3667 4.5293 4.5293 4.7265 4.7265 5.5213 5.5213 5.5462 5.5462 5.6676 5.6676 5.7590 5.7590 6.2269 6.2269 6.3079 6.3079 6.4341 6.4341 6.6874 6.6874 11.3128 11.3128 11.6438 11.6438 12.2321 12.2321 12.2721 12.2721 13.3843 13.3843 k = 0.3802 0.5061 0.2235 ( 9715 PWs) bands (ev): -39.7817 -39.7817 -39.7708 -39.7708 -35.9462 -35.9462 -35.9447 -35.9447 -18.8876 -18.8876 -18.8605 -18.8605 -18.4493 -18.4493 -18.3677 -18.3677 -18.3105 -18.3105 -18.2239 -18.2239 -8.8657 -8.8657 -8.7684 -8.7684 -8.5599 -8.5599 -8.5268 -8.5268 4.3178 4.3178 4.3513 4.3513 4.5392 4.5392 4.7270 4.7270 5.4802 5.4802 5.5127 5.5127 5.6502 5.6502 5.7370 5.7370 6.2097 6.2097 6.3138 6.3138 6.4222 6.4222 6.6759 6.6759 11.3222 11.3222 11.6949 11.6949 12.2776 12.2776 12.3302 12.3302 13.3733 13.3733 k = 0.3736 0.5166 0.2359 ( 9719 PWs) bands (ev): -39.7823 -39.7823 -39.7701 -39.7701 -35.9463 -35.9463 -35.9446 -35.9446 -18.8917 -18.8917 -18.8623 -18.8623 -18.4513 -18.4513 -18.3706 -18.3706 -18.3104 -18.3104 -18.2224 -18.2224 -8.8685 -8.8685 -8.7654 -8.7654 -8.5384 -8.5384 -8.5071 -8.5071 4.2791 4.2791 4.3444 4.3444 4.5496 4.5496 4.7263 4.7263 5.4200 5.4200 5.4957 5.4957 5.6319 5.6319 5.7146 5.7146 6.1975 6.1975 6.3202 6.3202 6.4084 6.4084 6.6651 6.6651 11.3329 11.3329 11.7492 11.7492 12.3225 12.3225 12.3889 12.3889 13.3618 13.3618 k = 0.3669 0.5270 0.2484 ( 9717 PWs) bands (ev): -39.7828 -39.7828 -39.7694 -39.7694 -35.9464 -35.9464 -35.9445 -35.9445 -18.8958 -18.8958 -18.8641 -18.8641 -18.4531 -18.4531 -18.3739 -18.3739 -18.3100 -18.3100 -18.2208 -18.2208 -8.8716 -8.8716 -8.7630 -8.7630 -8.5163 -8.5163 -8.4871 -8.4871 4.2397 4.2397 4.3390 4.3390 4.5607 4.5607 4.7240 4.7240 5.3572 5.3572 5.4804 5.4804 5.6127 5.6127 5.6921 5.6921 6.1894 6.1894 6.3271 6.3271 6.3931 6.3931 6.6552 6.6552 11.3447 11.3447 11.8062 11.8062 12.3666 12.3666 12.4480 12.4480 13.3497 13.3498 k = 0.3603 0.5375 0.2608 ( 9713 PWs) bands (ev): -39.7833 -39.7833 -39.7687 -39.7687 -35.9464 -35.9464 -35.9444 -35.9444 -18.9000 -18.9000 -18.8659 -18.8659 -18.4547 -18.4547 -18.3774 -18.3774 -18.3095 -18.3095 -18.2193 -18.2193 -8.8752 -8.8752 -8.7609 -8.7609 -8.4936 -8.4936 -8.4669 -8.4669 4.2007 4.2007 4.3346 4.3346 4.5723 4.5723 4.7192 4.7192 5.2950 5.2950 5.4655 5.4655 5.5929 5.5929 5.6696 5.6696 6.1845 6.1845 6.3344 6.3344 6.3767 6.3767 6.6463 6.6463 11.3576 11.3576 11.8655 11.8655 12.4095 12.4095 12.5070 12.5070 13.3372 13.3372 k = 0.3536 0.5480 0.2732 ( 9721 PWs) bands (ev): -39.7839 -39.7839 -39.7679 -39.7679 -35.9465 -35.9465 -35.9443 -35.9443 -18.9042 -18.9042 -18.8676 -18.8676 -18.4561 -18.4561 -18.3810 -18.3810 -18.3088 -18.3088 -18.2177 -18.2177 -8.8791 -8.8791 -8.7591 -8.7591 -8.4708 -8.4708 -8.4469 -8.4469 4.1625 4.1625 4.3310 4.3310 4.5846 4.5846 4.7109 4.7109 5.2358 5.2358 5.4505 5.4505 5.5723 5.5723 5.6471 5.6471 6.1822 6.1822 6.3420 6.3420 6.3596 6.3596 6.6383 6.6383 11.3715 11.3715 11.9267 11.9267 12.4510 12.4510 12.5656 12.5656 13.3242 13.3242 k = 0.3469 0.5585 0.2856 ( 9713 PWs) bands (ev): -39.7845 -39.7845 -39.7671 -39.7671 -35.9466 -35.9466 -35.9442 -35.9442 -18.9084 -18.9084 -18.8692 -18.8692 -18.4573 -18.4573 -18.3848 -18.3848 -18.3081 -18.3081 -18.2162 -18.2162 -8.8834 -8.8834 -8.7575 -8.7575 -8.4479 -8.4479 -8.4270 -8.4270 4.1257 4.1257 4.3283 4.3283 4.5973 4.5973 4.6977 4.6977 5.1820 5.1820 5.4351 5.4351 5.5512 5.5512 5.6248 5.6248 6.1818 6.1818 6.3409 6.3409 6.3513 6.3513 6.6314 6.6314 11.3865 11.3865 11.9892 11.9892 12.4907 12.4907 12.6236 12.6236 13.3107 13.3107 k = 0.3403 0.5690 0.2980 ( 9713 PWs) bands (ev): -39.7852 -39.7852 -39.7664 -39.7664 -35.9467 -35.9467 -35.9441 -35.9441 -18.9125 -18.9125 -18.8707 -18.8707 -18.4584 -18.4584 -18.3886 -18.3886 -18.3074 -18.3074 -18.2147 -18.2147 -8.8880 -8.8880 -8.7560 -8.7560 -8.4252 -8.4252 -8.4076 -8.4076 4.0906 4.0906 4.3266 4.3266 4.6106 4.6106 4.6782 4.6782 5.1358 5.1358 5.4190 5.4190 5.5297 5.5297 5.6028 5.6028 6.1827 6.1827 6.3234 6.3234 6.3595 6.3595 6.6255 6.6255 11.4023 11.4023 12.0527 12.0527 12.5285 12.5285 12.6806 12.6806 13.2967 13.2967 k = 0.3336 0.5795 0.3105 ( 9705 PWs) bands (ev): -39.7858 -39.7858 -39.7655 -39.7655 -35.9468 -35.9468 -35.9440 -35.9440 -18.9167 -18.9167 -18.8721 -18.8721 -18.4592 -18.4592 -18.3924 -18.3924 -18.3066 -18.3066 -18.2133 -18.2133 -8.8928 -8.8928 -8.7547 -8.7547 -8.4028 -8.4028 -8.3887 -8.3887 4.0574 4.0574 4.3260 4.3260 4.6244 4.6244 4.6514 4.6514 5.0990 5.0990 5.4021 5.4021 5.5078 5.5078 5.5812 5.5812 6.1847 6.1847 6.3056 6.3056 6.3685 6.3685 6.6207 6.6207 11.4189 11.4189 12.1165 12.1165 12.5639 12.5639 12.7362 12.7362 13.2823 13.2823 k = 0.3270 0.5900 0.3229 ( 9721 PWs) bands (ev): -39.7865 -39.7865 -39.7647 -39.7647 -35.9469 -35.9469 -35.9439 -35.9439 -18.9207 -18.9207 -18.8733 -18.8733 -18.4599 -18.4599 -18.3963 -18.3963 -18.3058 -18.3058 -18.2118 -18.2118 -8.8980 -8.8980 -8.7534 -8.7534 -8.3811 -8.3811 -8.3705 -8.3705 4.0265 4.0265 4.3264 4.3264 4.6170 4.6170 4.6388 4.6388 5.0723 5.0723 5.3843 5.3843 5.4856 5.4856 5.5602 5.5602 6.1872 6.1872 6.2880 6.2880 6.3781 6.3781 6.6169 6.6169 11.4364 11.4364 12.1803 12.1803 12.5968 12.5968 12.7902 12.7902 13.2675 13.2675 k = 0.3203 0.6004 0.3353 ( 9713 PWs) bands (ev): -39.7872 -39.7872 -39.7639 -39.7639 -35.9470 -35.9470 -35.9438 -35.9438 -18.9246 -18.9246 -18.8744 -18.8744 -18.4604 -18.4604 -18.4001 -18.4001 -18.3050 -18.3050 -18.2103 -18.2103 -8.9035 -8.9035 -8.7522 -8.7522 -8.3600 -8.3600 -8.3531 -8.3531 3.9981 3.9981 4.3281 4.3281 4.5763 4.5763 4.6535 4.6535 5.0554 5.0554 5.3655 5.3655 5.4633 5.4633 5.5398 5.5398 6.1902 6.1902 6.2708 6.2708 6.3881 6.3881 6.6142 6.6142 11.4545 11.4545 12.2435 12.2435 12.6269 12.6269 12.8424 12.8424 13.2523 13.2523 k = 0.3137 0.6109 0.3477 ( 9713 PWs) bands (ev): -39.7879 -39.7879 -39.7631 -39.7631 -35.9471 -35.9471 -35.9437 -35.9437 -18.9285 -18.9285 -18.8752 -18.8752 -18.4607 -18.4607 -18.4039 -18.4039 -18.3042 -18.3042 -18.2089 -18.2089 -8.9092 -8.9092 -8.7510 -8.7510 -8.3398 -8.3398 -8.3366 -8.3366 3.9725 3.9725 4.3310 4.3310 4.5308 4.5308 4.6687 4.6687 5.0468 5.0468 5.3456 5.3456 5.4409 5.4409 5.5202 5.5202 6.1932 6.1932 6.2543 6.2543 6.3987 6.3987 6.6125 6.6125 11.4733 11.4733 12.3056 12.3056 12.6539 12.6539 12.8924 12.8924 13.2368 13.2368 k = 0.3070 0.6214 0.3601 ( 9701 PWs) bands (ev): -39.7886 -39.7886 -39.7622 -39.7622 -35.9472 -35.9472 -35.9436 -35.9436 -18.9322 -18.9322 -18.8759 -18.8759 -18.4609 -18.4609 -18.4076 -18.4076 -18.3035 -18.3035 -18.2075 -18.2075 -8.9152 -8.9152 -8.7499 -8.7499 -8.3212 -8.3212 -8.3207 -8.3207 3.9497 3.9497 4.3354 4.3354 4.4825 4.4825 4.6841 4.6841 5.0450 5.0450 5.3248 5.3248 5.4185 5.4185 5.5015 5.5015 6.1961 6.1961 6.2383 6.2383 6.4097 6.4097 6.6119 6.6119 11.4926 11.4926 12.3662 12.3662 12.6775 12.6775 12.9400 12.9400 13.2209 13.2209 k = 0.3004 0.6319 0.3725 ( 9707 PWs) bands (ev): -39.7894 -39.7894 -39.7613 -39.7613 -35.9473 -35.9473 -35.9435 -35.9435 -18.9358 -18.9358 -18.8763 -18.8763 -18.4608 -18.4608 -18.4113 -18.4113 -18.3028 -18.3028 -18.2060 -18.2060 -8.9215 -8.9215 -8.7487 -8.7487 -8.3070 -8.3070 -8.3027 -8.3027 3.9299 3.9299 4.3412 4.3412 4.4333 4.4333 4.6998 4.6998 5.0486 5.0486 5.3029 5.3029 5.3962 5.3962 5.4838 5.4838 6.1988 6.1988 6.2232 6.2232 6.4213 6.4213 6.6122 6.6122 11.5124 11.5124 12.4249 12.4249 12.6977 12.6977 12.9848 12.9848 13.2047 13.2047 k = 0.3004 0.6319 0.3725 ( 9707 PWs) bands (ev): -39.7894 -39.7894 -39.7613 -39.7613 -35.9473 -35.9473 -35.9435 -35.9435 -18.9358 -18.9358 -18.8763 -18.8763 -18.4608 -18.4608 -18.4113 -18.4113 -18.3028 -18.3028 -18.2060 -18.2060 -8.9215 -8.9215 -8.7487 -8.7487 -8.3070 -8.3070 -8.3027 -8.3027 3.9299 3.9299 4.3412 4.3412 4.4333 4.4333 4.6998 4.6998 5.0486 5.0486 5.3029 5.3029 5.3962 5.3962 5.4838 5.4838 6.1988 6.1988 6.2232 6.2232 6.4213 6.4213 6.6122 6.6122 11.5124 11.5124 12.4249 12.4249 12.6977 12.6977 12.9848 12.9848 13.2047 13.2047 k = 0.2845 0.6277 0.3775 ( 9715 PWs) bands (ev): -39.7897 -39.7897 -39.7610 -39.7610 -35.9473 -35.9473 -35.9434 -35.9434 -18.9372 -18.9372 -18.8764 -18.8764 -18.4611 -18.4611 -18.4123 -18.4123 -18.3026 -18.3026 -18.2054 -18.2054 -8.9243 -8.9243 -8.7482 -8.7482 -8.3052 -8.3052 -8.2923 -8.2923 3.9226 3.9226 4.3381 4.3381 4.4206 4.4206 4.7063 4.7063 5.0519 5.0519 5.2926 5.2926 5.3872 5.3872 5.4771 5.4771 6.1869 6.1869 6.2259 6.2259 6.4306 6.4306 6.6126 6.6126 11.5213 11.5213 12.4477 12.4477 12.7038 12.7038 13.0024 13.0024 13.1979 13.1979 k = 0.2687 0.6235 0.3824 ( 9713 PWs) bands (ev): -39.7901 -39.7901 -39.7605 -39.7605 -35.9474 -35.9474 -35.9434 -35.9434 -18.9387 -18.9387 -18.8763 -18.8763 -18.4620 -18.4620 -18.4125 -18.4125 -18.3026 -18.3026 -18.2048 -18.2048 -8.9275 -8.9275 -8.7476 -8.7476 -8.3047 -8.3047 -8.2806 -8.2806 3.9152 3.9152 4.3235 4.3235 4.4217 4.4217 4.7130 4.7130 5.0571 5.0571 5.2798 5.2798 5.3777 5.3777 5.4704 5.4704 6.1623 6.1623 6.2342 6.2342 6.4477 6.4477 6.6134 6.6134 11.5318 11.5318 12.4703 12.4703 12.7077 12.7077 13.0202 13.0202 13.1905 13.1905 k = 0.2529 0.6194 0.3874 ( 9711 PWs) bands (ev): -39.7905 -39.7905 -39.7601 -39.7601 -35.9475 -35.9475 -35.9433 -35.9433 -18.9401 -18.9401 -18.8762 -18.8762 -18.4634 -18.4634 -18.4120 -18.4120 -18.3029 -18.3029 -18.2040 -18.2040 -8.9311 -8.9311 -8.7469 -8.7469 -8.3043 -8.3043 -8.2690 -8.2690 3.9078 3.9078 4.3027 4.3027 4.4310 4.4310 4.7199 4.7199 5.0645 5.0645 5.2647 5.2647 5.3680 5.3680 5.4640 5.4640 6.1328 6.1328 6.2420 6.2420 6.4704 6.4704 6.6145 6.6145 11.5438 11.5438 12.4924 12.4924 12.7096 12.7096 13.0380 13.0380 13.1827 13.1827 k = 0.2371 0.6152 0.3923 ( 9718 PWs) bands (ev): -39.7910 -39.7910 -39.7596 -39.7596 -35.9475 -35.9475 -35.9432 -35.9432 -18.9416 -18.9416 -18.8761 -18.8761 -18.4652 -18.4652 -18.4108 -18.4108 -18.3033 -18.3033 -18.2033 -18.2033 -8.9349 -8.9349 -8.7462 -8.7462 -8.3040 -8.3040 -8.2576 -8.2576 3.9005 3.9005 4.2803 4.2803 4.4436 4.4436 4.7270 4.7270 5.0739 5.0739 5.2476 5.2476 5.3580 5.3580 5.4577 5.4577 6.1000 6.1000 6.2494 6.2494 6.4966 6.4966 6.6157 6.6157 11.5572 11.5572 12.5139 12.5139 12.7096 12.7096 13.0554 13.0554 13.1747 13.1747 k = 0.2213 0.6110 0.3973 ( 9721 PWs) bands (ev): -39.7915 -39.7915 -39.7591 -39.7591 -35.9476 -35.9476 -35.9432 -35.9432 -18.9430 -18.9430 -18.8759 -18.8759 -18.4673 -18.4673 -18.4092 -18.4092 -18.3040 -18.3040 -18.2025 -18.2025 -8.9388 -8.9388 -8.7455 -8.7455 -8.3037 -8.3037 -8.2466 -8.2466 3.8933 3.8933 4.2582 4.2582 4.4576 4.4576 4.7342 4.7342 5.0855 5.0855 5.2292 5.2292 5.3480 5.3480 5.4516 5.4516 6.0649 6.0649 6.2568 6.2568 6.5246 6.5246 6.6173 6.6173 11.5719 11.5719 12.5346 12.5346 12.7080 12.7080 13.0723 13.0723 13.1666 13.1666 k = 0.2055 0.6068 0.4022 ( 9718 PWs) bands (ev): -39.7919 -39.7919 -39.7586 -39.7586 -35.9476 -35.9476 -35.9431 -35.9431 -18.9444 -18.9444 -18.8756 -18.8756 -18.4697 -18.4697 -18.4071 -18.4071 -18.3048 -18.3048 -18.2017 -18.2017 -8.9427 -8.9427 -8.7448 -8.7448 -8.3034 -8.3034 -8.2360 -8.2360 3.8864 3.8864 4.2373 4.2373 4.4718 4.4718 4.7415 4.7415 5.0989 5.0989 5.2101 5.2101 5.3379 5.3379 5.4459 5.4459 6.0279 6.0279 6.2644 6.2644 6.5530 6.5530 6.6193 6.6193 11.5876 11.5876 12.5544 12.5544 12.7047 12.7047 13.0882 13.0882 13.1589 13.1589 k = 0.1897 0.6027 0.4072 ( 9725 PWs) bands (ev): -39.7924 -39.7924 -39.7581 -39.7581 -35.9477 -35.9477 -35.9431 -35.9431 -18.9457 -18.9457 -18.8754 -18.8754 -18.4721 -18.4721 -18.4047 -18.4047 -18.3058 -18.3058 -18.2009 -18.2009 -8.9467 -8.9467 -8.7441 -8.7441 -8.3031 -8.3031 -8.2259 -8.2259 3.8799 3.8799 4.2176 4.2176 4.4860 4.4860 4.7487 4.7487 5.1132 5.1132 5.1916 5.1916 5.3280 5.3280 5.4404 5.4404 5.9896 5.9896 6.2722 6.2722 6.5802 6.5802 6.6226 6.6226 11.6042 11.6042 12.5731 12.5731 12.7001 12.7001 13.1025 13.1025 13.1522 13.1522 k = 0.1739 0.5985 0.4121 ( 9717 PWs) bands (ev): -39.7928 -39.7928 -39.7576 -39.7576 -35.9477 -35.9477 -35.9430 -35.9430 -18.9470 -18.9470 -18.8752 -18.8752 -18.4746 -18.4746 -18.4022 -18.4022 -18.3069 -18.3069 -18.2001 -18.2001 -8.9505 -8.9505 -8.7435 -8.7435 -8.3028 -8.3028 -8.2164 -8.2164 3.8737 3.8737 4.1995 4.1995 4.4999 4.4999 4.7559 4.7559 5.1247 5.1247 5.1779 5.1779 5.3182 5.3182 5.4353 5.4353 5.9502 5.9502 6.2802 6.2802 6.6022 6.6022 6.6303 6.6303 11.6213 11.6213 12.5907 12.5907 12.6943 12.6943 13.1136 13.1136 13.1479 13.1479 k = 0.1581 0.5943 0.4171 ( 9719 PWs) bands (ev): -39.7933 -39.7933 -39.7572 -39.7572 -35.9478 -35.9478 -35.9429 -35.9429 -18.9481 -18.9481 -18.8750 -18.8750 -18.4769 -18.4769 -18.3996 -18.3996 -18.3081 -18.3081 -18.1994 -18.1994 -8.9542 -8.9542 -8.7429 -8.7429 -8.3025 -8.3025 -8.2075 -8.2075 3.8680 3.8680 4.1828 4.1828 4.5132 4.5132 4.7629 4.7629 5.1234 5.1234 5.1794 5.1794 5.3087 5.3087 5.4306 5.4306 5.9099 5.9099 6.2883 6.2883 6.6127 6.6127 6.6483 6.6483 11.6387 11.6387 12.6070 12.6070 12.6874 12.6874 13.1185 13.1185 13.1493 13.1493 k = 0.1423 0.5901 0.4220 ( 9716 PWs) bands (ev): -39.7937 -39.7937 -39.7567 -39.7567 -35.9479 -35.9479 -35.9429 -35.9429 -18.9492 -18.9492 -18.8748 -18.8748 -18.4792 -18.4792 -18.3969 -18.3969 -18.3093 -18.3093 -18.1987 -18.1987 -8.9577 -8.9577 -8.7423 -8.7423 -8.3022 -8.3022 -8.1993 -8.1993 3.8628 3.8628 4.1677 4.1677 4.5259 4.5259 4.7697 4.7697 5.1089 5.1089 5.1966 5.1966 5.2996 5.2996 5.4263 5.4263 5.8689 5.8689 6.2962 6.2962 6.6166 6.6166 6.6714 6.6714 11.6561 11.6561 12.6220 12.6220 12.6798 12.6798 13.1167 13.1167 13.1568 13.1568 k = 0.1265 0.5860 0.4270 ( 9717 PWs) bands (ev): -39.7940 -39.7940 -39.7563 -39.7563 -35.9479 -35.9479 -35.9428 -35.9428 -18.9501 -18.9501 -18.8746 -18.8746 -18.4813 -18.4813 -18.3943 -18.3943 -18.3107 -18.3107 -18.1980 -18.1980 -8.9609 -8.9609 -8.7418 -8.7418 -8.3019 -8.3019 -8.1918 -8.1918 3.8582 3.8582 4.1542 4.1542 4.5378 4.5378 4.7761 4.7761 5.0905 5.0905 5.2207 5.2207 5.2910 5.2910 5.4224 5.4224 5.8274 5.8274 6.3038 6.3038 6.6186 6.6186 6.6943 6.6943 11.6732 11.6732 12.6353 12.6353 12.6718 12.6718 13.1123 13.1123 13.1663 13.1663 k = 0.1107 0.5818 0.4319 ( 9718 PWs) bands (ev): -39.7944 -39.7944 -39.7560 -39.7560 -35.9480 -35.9480 -35.9428 -35.9428 -18.9510 -18.9510 -18.8744 -18.8744 -18.4832 -18.4832 -18.3918 -18.3918 -18.3120 -18.3120 -18.1974 -18.1974 -8.9639 -8.9639 -8.7413 -8.7413 -8.3017 -8.3017 -8.1852 -8.1852 3.8541 3.8541 4.1422 4.1422 4.5490 4.5490 4.7821 4.7821 5.0718 5.0718 5.2480 5.2480 5.2833 5.2833 5.4189 5.4189 5.7856 5.7856 6.3110 6.3110 6.6200 6.6200 6.7157 6.7157 11.6895 11.6895 12.6464 12.6464 12.6645 12.6645 13.1075 13.1075 13.1757 13.1757 k = 0.0948 0.5776 0.4368 ( 9719 PWs) bands (ev): -39.7947 -39.7947 -39.7557 -39.7557 -35.9480 -35.9480 -35.9427 -35.9427 -18.9517 -18.9517 -18.8743 -18.8743 -18.4849 -18.4849 -18.3894 -18.3894 -18.3133 -18.3133 -18.1968 -18.1968 -8.9665 -8.9665 -8.7409 -8.7409 -8.3014 -8.3014 -8.1793 -8.1793 3.8506 3.8506 4.1317 4.1317 4.5592 4.5592 4.7876 4.7876 5.0539 5.0539 5.2724 5.2724 5.2819 5.2819 5.4159 5.4159 5.7437 5.7437 6.3175 6.3175 6.6210 6.6210 6.7349 6.7349 11.7048 11.7048 12.6499 12.6499 12.6632 12.6632 13.1029 13.1029 13.1843 13.1843 k = 0.0790 0.5734 0.4418 ( 9718 PWs) bands (ev): -39.7949 -39.7949 -39.7554 -39.7554 -35.9480 -35.9480 -35.9427 -35.9427 -18.9523 -18.9523 -18.8741 -18.8741 -18.4864 -18.4864 -18.3873 -18.3873 -18.3145 -18.3145 -18.1964 -18.1964 -8.9688 -8.9688 -8.7406 -8.7406 -8.3012 -8.3012 -8.1743 -8.1743 3.8477 3.8477 4.1228 4.1228 4.5683 4.5683 4.7924 4.7924 5.0376 5.0376 5.2686 5.2686 5.3115 5.3115 5.4134 5.4134 5.7017 5.7017 6.3233 6.3233 6.6218 6.6218 6.7515 6.7515 11.7186 11.7186 12.6442 12.6442 12.6701 12.6701 13.0988 13.0988 13.1917 13.1917 k = 0.0632 0.5693 0.4467 ( 9718 PWs) bands (ev): -39.7952 -39.7952 -39.7552 -39.7552 -35.9481 -35.9481 -35.9427 -35.9427 -18.9529 -18.9529 -18.8740 -18.8740 -18.4876 -18.4876 -18.3855 -18.3855 -18.3156 -18.3156 -18.1960 -18.1960 -8.9707 -8.9707 -8.7403 -8.7403 -8.3011 -8.3011 -8.1702 -8.1702 3.8453 3.8453 4.1155 4.1155 4.5761 4.5761 4.7965 4.7965 5.0235 5.0235 5.2634 5.2634 5.3452 5.3452 5.4115 5.4115 5.6598 5.6598 6.3283 6.3283 6.6224 6.6224 6.7654 6.7654 11.7306 11.7306 12.6375 12.6375 12.6772 12.6772 13.0954 13.0954 13.1979 13.1980 k = 0.0474 0.5651 0.4517 ( 9717 PWs) bands (ev): -39.7953 -39.7953 -39.7550 -39.7550 -35.9481 -35.9481 -35.9426 -35.9426 -18.9533 -18.9533 -18.8740 -18.8740 -18.4885 -18.4885 -18.3839 -18.3839 -18.3165 -18.3165 -18.1956 -18.1956 -8.9722 -8.9722 -8.7401 -8.7401 -8.3009 -8.3009 -8.1669 -8.1669 3.8435 3.8435 4.1097 4.1097 4.5825 4.5825 4.7998 4.7998 5.0120 5.0120 5.2591 5.2591 5.3802 5.3802 5.4104 5.4104 5.6182 5.6182 6.3322 6.3322 6.6228 6.6228 6.7764 6.7764 11.7403 11.7403 12.6316 12.6316 12.6830 12.6830 13.0927 13.0927 13.2028 13.2028 k = 0.0316 0.5609 0.4566 ( 9715 PWs) bands (ev): -39.7955 -39.7955 -39.7548 -39.7548 -35.9481 -35.9481 -35.9426 -35.9426 -18.9536 -18.9536 -18.8739 -18.8739 -18.4892 -18.4892 -18.3828 -18.3828 -18.3172 -18.3172 -18.1954 -18.1954 -8.9732 -8.9732 -8.7399 -8.7399 -8.3008 -8.3008 -8.1646 -8.1646 3.8422 3.8422 4.1056 4.1056 4.5873 4.5873 4.8022 4.8022 5.0035 5.0035 5.2560 5.2560 5.4057 5.4057 5.4206 5.4206 5.5770 5.5770 6.3351 6.3351 6.6232 6.6232 6.7844 6.7844 11.7475 11.7475 12.6271 12.6271 12.6872 12.6872 13.0908 13.0908 13.2063 13.2063 k = 0.0158 0.5567 0.4616 ( 9720 PWs) bands (ev): -39.7955 -39.7955 -39.7548 -39.7548 -35.9481 -35.9481 -35.9426 -35.9426 -18.9537 -18.9537 -18.8739 -18.8739 -18.4897 -18.4897 -18.3821 -18.3821 -18.3176 -18.3176 -18.1953 -18.1953 -8.9739 -8.9739 -8.7398 -8.7398 -8.3008 -8.3008 -8.1632 -8.1632 3.8414 3.8414 4.1032 4.1032 4.5902 4.5902 4.8037 4.8037 4.9982 4.9982 5.2541 5.2541 5.4068 5.4068 5.4569 5.4569 5.5364 5.5364 6.3368 6.3368 6.6234 6.6234 6.7892 6.7892 11.7520 11.7520 12.6243 12.6243 12.6898 12.6898 13.0896 13.0896 13.2085 13.2085 k = 0.0000 0.5526 0.4665 ( 9722 PWs) bands (ev): -39.7956 -39.7956 -39.7547 -39.7547 -35.9481 -35.9481 -35.9426 -35.9426 -18.9538 -18.9538 -18.8739 -18.8739 -18.4898 -18.4898 -18.3819 -18.3819 -18.3177 -18.3177 -18.1952 -18.1952 -8.9741 -8.9741 -8.7398 -8.7398 -8.3008 -8.3008 -8.1627 -8.1627 3.8412 3.8412 4.1023 4.1023 4.5912 4.5912 4.8042 4.8042 4.9964 4.9964 5.2535 5.2535 5.4067 5.4067 5.4909 5.4909 5.5014 5.5014 6.3374 6.3374 6.6234 6.6234 6.7908 6.7908 11.7535 11.7535 12.6234 12.6234 12.6906 12.6906 13.0892 13.0892 13.2092 13.2092 k = 0.0000 0.5526 0.4665 ( 9722 PWs) bands (ev): -39.7956 -39.7956 -39.7547 -39.7547 -35.9481 -35.9481 -35.9426 -35.9426 -18.9538 -18.9538 -18.8739 -18.8739 -18.4898 -18.4898 -18.3819 -18.3819 -18.3177 -18.3177 -18.1952 -18.1952 -8.9741 -8.9741 -8.7398 -8.7398 -8.3008 -8.3008 -8.1627 -8.1627 3.8412 3.8412 4.1023 4.1023 4.5912 4.5912 4.8042 4.8042 4.9964 4.9964 5.2535 5.2535 5.4067 5.4067 5.4909 5.4909 5.5014 5.5014 6.3374 6.3374 6.6234 6.6234 6.7908 6.7908 11.7535 11.7535 12.6234 12.6234 12.6906 12.6906 13.0892 13.0892 13.2092 13.2092 k = 0.0066 0.5422 0.4788 ( 9720 PWs) bands (ev): -39.7955 -39.7955 -39.7548 -39.7548 -35.9481 -35.9481 -35.9426 -35.9426 -18.9538 -18.9538 -18.8739 -18.8739 -18.4900 -18.4900 -18.3819 -18.3819 -18.3178 -18.3178 -18.1952 -18.1952 -8.9732 -8.9732 -8.7390 -8.7390 -8.3007 -8.3007 -8.1628 -8.1628 3.8412 3.8412 4.1022 4.1022 4.5902 4.5902 4.7970 4.7970 5.0013 5.0013 5.2466 5.2466 5.3938 5.3938 5.4924 5.4924 5.5209 5.5209 6.3379 6.3379 6.6194 6.6194 6.7905 6.7905 11.7540 11.7540 12.6244 12.6244 12.6909 12.6909 13.0893 13.0893 13.2101 13.2101 k = 0.0132 0.5318 0.4911 ( 9718 PWs) bands (ev): -39.7955 -39.7955 -39.7548 -39.7548 -35.9481 -35.9481 -35.9426 -35.9426 -18.9540 -18.9540 -18.8742 -18.8742 -18.4908 -18.4908 -18.3819 -18.3819 -18.3178 -18.3178 -18.1952 -18.1952 -8.9705 -8.9705 -8.7366 -8.7366 -8.3007 -8.3007 -8.1629 -8.1629 3.8411 3.8411 4.1019 4.1019 4.5872 4.5872 4.7776 4.7776 5.0138 5.0138 5.2266 5.2266 5.3706 5.3706 5.4981 5.4981 5.5618 5.5618 6.3395 6.3395 6.6074 6.6074 6.7896 6.7896 11.7558 11.7558 12.6274 12.6274 12.6916 12.6916 13.0897 13.0897 13.2130 13.2130 k = 0.0197 0.5215 0.5034 ( 9720 PWs) bands (ev): -39.7954 -39.7954 -39.7549 -39.7549 -35.9481 -35.9481 -35.9426 -35.9426 -18.9542 -18.9542 -18.8746 -18.8746 -18.4921 -18.4921 -18.3819 -18.3819 -18.3179 -18.3179 -18.1952 -18.1952 -8.9660 -8.9660 -8.7326 -8.7326 -8.3007 -8.3007 -8.1632 -8.1632 3.8410 3.8410 4.1014 4.1014 4.5821 4.5821 4.7500 4.7500 5.0301 5.0301 5.1964 5.1964 5.3485 5.3485 5.5077 5.5077 5.6105 5.6105 6.3419 6.3419 6.5876 6.5876 6.7881 6.7881 11.7587 11.7587 12.6325 12.6325 12.6929 12.6929 13.0903 13.0903 13.2178 13.2178 k = 0.0263 0.5111 0.5156 ( 9724 PWs) bands (ev): -39.7952 -39.7952 -39.7550 -39.7550 -35.9481 -35.9481 -35.9426 -35.9426 -18.9546 -18.9546 -18.8751 -18.8751 -18.4938 -18.4938 -18.3819 -18.3819 -18.3181 -18.3181 -18.1952 -18.1952 -8.9597 -8.9597 -8.7271 -8.7271 -8.3007 -8.3007 -8.1635 -8.1635 3.8409 3.8409 4.1006 4.1006 4.5747 4.5747 4.7173 4.7173 5.0468 5.0468 5.1600 5.1600 5.3280 5.3280 5.5211 5.5211 5.6628 5.6628 6.3451 6.3451 6.5606 6.5606 6.7860 6.7860 11.7632 11.7632 12.6395 12.6395 12.6946 12.6946 13.0912 13.0912 13.2244 13.2244 k = 0.0329 0.5007 0.5279 ( 9722 PWs) bands (ev): -39.7950 -39.7950 -39.7551 -39.7551 -35.9480 -35.9480 -35.9427 -35.9427 -18.9550 -18.9550 -18.8758 -18.8758 -18.4959 -18.4959 -18.3820 -18.3820 -18.3182 -18.3182 -18.1951 -18.1951 -8.9517 -8.9517 -8.7200 -8.7200 -8.3006 -8.3006 -8.1640 -8.1640 3.8407 3.8407 4.0996 4.0996 4.5650 4.5650 4.6818 4.6818 5.0622 5.0622 5.1209 5.1209 5.3076 5.3076 5.5378 5.5378 5.7169 5.7169 6.3486 6.3486 6.5273 6.5273 6.7830 6.7830 11.7692 11.7692 12.6484 12.6484 12.6967 12.6967 13.0927 13.0927 13.2329 13.2329 k = 0.0395 0.4904 0.5402 ( 9730 PWs) bands (ev): -39.7948 -39.7948 -39.7553 -39.7553 -35.9480 -35.9480 -35.9427 -35.9427 -18.9556 -18.9556 -18.8767 -18.8767 -18.4985 -18.4985 -18.3823 -18.3823 -18.3183 -18.3183 -18.1951 -18.1951 -8.9420 -8.9420 -8.7115 -8.7115 -8.3005 -8.3005 -8.1645 -8.1645 3.8404 3.8404 4.0982 4.0982 4.5526 4.5526 4.6446 4.6446 5.0741 5.0741 5.0826 5.0826 5.2865 5.2865 5.5576 5.5576 5.7721 5.7721 6.3510 6.3510 6.4895 6.4895 6.7791 6.7791 11.7772 11.7772 12.6592 12.6592 12.6993 12.6993 13.0948 13.0948 13.2432 13.2432 k = 0.0461 0.4800 0.5525 ( 9732 PWs) bands (ev): -39.7946 -39.7946 -39.7554 -39.7554 -35.9480 -35.9480 -35.9427 -35.9427 -18.9562 -18.9562 -18.8777 -18.8777 -18.5014 -18.5014 -18.3826 -18.3826 -18.3184 -18.3184 -18.1951 -18.1951 -8.9308 -8.9308 -8.7016 -8.7016 -8.3004 -8.3004 -8.1651 -8.1651 3.8400 3.8400 4.0964 4.0964 4.5373 4.5373 4.6066 4.6066 5.0420 5.0420 5.0865 5.0865 5.2641 5.2641 5.5797 5.5797 5.8280 5.8280 6.3479 6.3479 6.4523 6.4523 6.7742 6.7742 11.7874 11.7874 12.6716 12.6716 12.7024 12.7024 13.0977 13.0977 13.2552 13.2552 k = 0.0526 0.4696 0.5647 ( 9730 PWs) bands (ev): -39.7943 -39.7943 -39.7557 -39.7557 -35.9479 -35.9479 -35.9427 -35.9427 -18.9569 -18.9569 -18.8789 -18.8789 -18.5046 -18.5046 -18.3832 -18.3832 -18.3184 -18.3184 -18.1950 -18.1950 -8.9179 -8.9179 -8.6904 -8.6904 -8.3002 -8.3002 -8.1658 -8.1658 3.8394 3.8394 4.0943 4.0943 4.5191 4.5191 4.5685 4.5685 5.0050 5.0050 5.0944 5.0944 5.2406 5.2406 5.6036 5.6036 5.8840 5.8840 6.3282 6.3282 6.4275 6.4275 6.7682 6.7682 11.7999 11.7999 12.6855 12.6855 12.7060 12.7060 13.1013 13.1013 13.2689 13.2689 k = 0.0592 0.4593 0.5770 ( 9724 PWs) bands (ev): -39.7939 -39.7939 -39.7559 -39.7559 -35.9479 -35.9479 -35.9428 -35.9428 -18.9577 -18.9577 -18.8803 -18.8803 -18.5080 -18.5080 -18.3839 -18.3839 -18.3183 -18.3183 -18.1950 -18.1950 -8.9036 -8.9036 -8.6779 -8.6779 -8.3000 -8.3000 -8.1665 -8.1665 3.8387 3.8387 4.0916 4.0916 4.4976 4.4976 4.5305 4.5305 4.9701 4.9701 5.0999 5.0999 5.2163 5.2163 5.6285 5.6285 5.9399 5.9399 6.2849 6.2849 6.4230 6.4230 6.7610 6.7610 11.8151 11.8151 12.6999 12.6999 12.7110 12.7110 13.1058 13.1058 13.2841 13.2841 k = 0.0658 0.4489 0.5893 ( 9724 PWs) bands (ev): -39.7935 -39.7935 -39.7562 -39.7562 -35.9478 -35.9478 -35.9428 -35.9428 -18.9586 -18.9586 -18.8818 -18.8818 -18.5117 -18.5117 -18.3849 -18.3849 -18.3182 -18.3182 -18.1949 -18.1949 -8.8879 -8.8879 -8.6643 -8.6643 -8.2997 -8.2997 -8.1673 -8.1673 3.8379 3.8379 4.0882 4.0882 4.4729 4.4729 4.4934 4.4934 4.9376 4.9376 5.1031 5.1031 5.1914 5.1914 5.6535 5.6535 5.9954 5.9954 6.2273 6.2273 6.4303 6.4303 6.7525 6.7525 11.8333 11.8333 12.7100 12.7100 12.7221 12.7221 13.1112 13.1112 13.3007 13.3007 k = 0.0724 0.4385 0.6016 ( 9716 PWs) bands (ev): -39.7931 -39.7931 -39.7565 -39.7565 -35.9477 -35.9477 -35.9428 -35.9428 -18.9596 -18.9596 -18.8834 -18.8834 -18.5155 -18.5155 -18.3861 -18.3861 -18.3179 -18.3179 -18.1949 -18.1949 -8.8709 -8.8709 -8.6497 -8.6497 -8.2993 -8.2993 -8.1682 -8.1682 3.8368 3.8368 4.0841 4.0841 4.4450 4.4450 4.4573 4.4573 4.9075 4.9075 5.1044 5.1044 5.1664 5.1664 5.6778 5.6778 6.0502 6.0502 6.1626 6.1626 6.4434 6.4434 6.7427 6.7427 11.8544 11.8544 12.7154 12.7154 12.7393 12.7393 13.1176 13.1176 13.3183 13.3183 k = 0.0789 0.4282 0.6138 ( 9720 PWs) bands (ev): -39.7927 -39.7927 -39.7568 -39.7568 -35.9477 -35.9477 -35.9429 -35.9429 -18.9606 -18.9606 -18.8852 -18.8852 -18.5194 -18.5194 -18.3875 -18.3875 -18.3175 -18.3175 -18.1949 -18.1949 -8.8528 -8.8528 -8.6341 -8.6341 -8.2988 -8.2988 -8.1690 -8.1690 3.8354 3.8354 4.0791 4.0791 4.4141 4.4141 4.4227 4.4227 4.8796 4.8796 5.1038 5.1038 5.1418 5.1418 5.7001 5.7001 6.0922 6.0922 6.1063 6.1063 6.4599 6.4599 6.7318 6.7318 11.8787 11.8787 12.7203 12.7203 12.7584 12.7584 13.1250 13.1250 13.3354 13.3359 k = 0.0855 0.4178 0.6261 ( 9716 PWs) bands (ev): -39.7922 -39.7922 -39.7571 -39.7571 -35.9476 -35.9476 -35.9429 -35.9429 -18.9617 -18.9617 -18.8871 -18.8871 -18.5235 -18.5235 -18.3892 -18.3892 -18.3171 -18.3171 -18.1949 -18.1949 -8.8336 -8.8336 -8.6178 -8.6178 -8.2981 -8.2981 -8.1699 -8.1699 3.8338 3.8338 4.0731 4.0731 4.3813 4.3813 4.3890 4.3890 4.8537 4.8537 5.1016 5.1016 5.1182 5.1182 5.7185 5.7185 6.0249 6.0249 6.1573 6.1573 6.4792 6.4792 6.7198 6.7198 11.9062 11.9062 12.7253 12.7253 12.7785 12.7785 13.1333 13.1333 13.3448 13.3454 k = 0.0921 0.4074 0.6384 ( 9704 PWs) bands (ev): -39.7917 -39.7917 -39.7575 -39.7575 -35.9475 -35.9475 -35.9429 -35.9429 -18.9629 -18.9629 -18.8891 -18.8891 -18.5275 -18.5275 -18.3911 -18.3911 -18.3165 -18.3165 -18.1949 -18.1949 -8.8134 -8.8134 -8.6009 -8.6009 -8.2973 -8.2973 -8.1707 -8.1707 3.8319 3.8319 4.0658 4.0658 4.3476 4.3476 4.3561 4.3561 4.8293 4.8293 5.0935 5.0935 5.1004 5.1004 5.7292 5.7292 5.9601 5.9601 6.2084 6.2084 6.5007 6.5007 6.7072 6.7072 11.9370 11.9370 12.7305 12.7305 12.7991 12.7991 13.1428 13.1428 13.3463 13.3464 k = 0.0987 0.3971 0.6507 ( 9700 PWs) bands (ev): -39.7911 -39.7911 -39.7579 -39.7579 -35.9474 -35.9474 -35.9430 -35.9430 -18.9641 -18.9641 -18.8912 -18.8912 -18.5316 -18.5316 -18.3932 -18.3932 -18.3158 -18.3158 -18.1949 -18.1949 -8.7925 -8.7925 -8.5835 -8.5835 -8.2962 -8.2962 -8.1715 -8.1715 3.8297 3.8297 4.0571 4.0571 4.3125 4.3125 4.3251 4.3251 4.8062 4.8062 5.0735 5.0735 5.0949 5.0949 5.7235 5.7235 5.9086 5.9086 6.2574 6.2574 6.5243 6.5243 6.6941 6.6941 11.9709 11.9709 12.7361 12.7361 12.8197 12.8197 13.1534 13.1534 13.3463 13.3464 k = 0.1053 0.3867 0.6630 ( 9702 PWs) bands (ev): -39.7906 -39.7906 -39.7583 -39.7583 -35.9473 -35.9473 -35.9430 -35.9430 -18.9653 -18.9653 -18.8935 -18.8935 -18.5357 -18.5357 -18.3955 -18.3955 -18.3150 -18.3150 -18.1949 -18.1949 -8.7709 -8.7709 -8.5659 -8.5659 -8.2949 -8.2949 -8.1723 -8.1723 3.8272 3.8272 4.0467 4.0467 4.2759 4.2759 4.2966 4.2966 4.7840 4.7840 5.0544 5.0544 5.0894 5.0894 5.6899 5.6899 5.8824 5.8824 6.3035 6.3035 6.5496 6.5496 6.6815 6.6815 12.0079 12.0079 12.7420 12.7420 12.8401 12.8401 13.1652 13.1652 13.3463 13.3463 k = 0.1118 0.3763 0.6752 ( 9696 PWs) bands (ev): -39.7899 -39.7899 -39.7588 -39.7588 -35.9472 -35.9472 -35.9431 -35.9431 -18.9666 -18.9666 -18.8959 -18.8959 -18.5397 -18.5397 -18.3979 -18.3979 -18.3142 -18.3142 -18.1950 -18.1950 -8.7488 -8.7488 -8.5481 -8.5481 -8.2933 -8.2933 -8.1730 -8.1730 3.8243 3.8243 4.0348 4.0348 4.2386 4.2386 4.2706 4.2706 4.7626 4.7626 5.0371 5.0371 5.0830 5.0830 5.6318 5.6318 5.8790 5.8790 6.3458 6.3458 6.5765 6.5765 6.6702 6.6702 12.0478 12.0478 12.7483 12.7483 12.8597 12.8597 13.1781 13.1781 13.3466 13.3466 k = 0.1184 0.3660 0.6875 ( 9700 PWs) bands (ev): -39.7893 -39.7893 -39.7593 -39.7593 -35.9472 -35.9472 -35.9431 -35.9431 -18.9679 -18.9679 -18.8983 -18.8983 -18.5437 -18.5437 -18.4004 -18.4004 -18.3133 -18.3133 -18.1951 -18.1951 -8.7263 -8.7263 -8.5305 -8.5305 -8.2913 -8.2913 -8.1736 -8.1736 3.8210 3.8210 4.0211 4.0211 4.2009 4.2009 4.2469 4.2469 4.7418 4.7418 5.0218 5.0218 5.0758 5.0758 5.5619 5.5619 5.8864 5.8864 6.3825 6.3825 6.6046 6.6046 6.6620 6.6620 12.0904 12.0904 12.7550 12.7550 12.8781 12.8781 13.1923 13.1923 13.3476 13.3476 k = 0.1250 0.3556 0.6998 ( 9704 PWs) bands (ev): -39.7887 -39.7887 -39.7598 -39.7598 -35.9471 -35.9471 -35.9432 -35.9432 -18.9692 -18.9692 -18.9008 -18.9008 -18.5475 -18.5475 -18.4031 -18.4031 -18.3123 -18.3123 -18.1952 -18.1952 -8.7036 -8.7036 -8.5131 -8.5131 -8.2888 -8.2888 -8.1741 -8.1741 3.8175 3.8175 4.0058 4.0058 4.1634 4.1634 4.2253 4.2253 4.7217 4.7217 5.0085 5.0085 5.0676 5.0676 5.4879 5.4879 5.8977 5.8977 6.4115 6.4115 6.6335 6.6335 6.6591 6.6591 12.1354 12.1354 12.7621 12.7621 12.8948 12.8948 13.2074 13.2074 13.3496 13.3496 k = 0.1316 0.3453 0.7121 ( 9702 PWs) bands (ev): -39.7880 -39.7880 -39.7603 -39.7603 -35.9470 -35.9470 -35.9433 -35.9433 -18.9705 -18.9705 -18.9034 -18.9034 -18.5513 -18.5513 -18.4057 -18.4057 -18.3113 -18.3113 -18.1953 -18.1953 -8.6809 -8.6809 -8.4964 -8.4964 -8.2858 -8.2858 -8.1745 -8.1745 3.8136 3.8136 3.9892 3.9892 4.1265 4.1265 4.2055 4.2055 4.7024 4.7024 4.9972 4.9972 5.0583 5.0583 5.4135 5.4135 5.9103 5.9103 6.4302 6.4302 6.6614 6.6614 6.6658 6.6658 12.1826 12.1826 12.7698 12.7698 12.9096 12.9096 13.2231 13.2231 13.3532 13.3532 k = 0.1382 0.3349 0.7243 ( 9696 PWs) bands (ev): -39.7873 -39.7873 -39.7609 -39.7609 -35.9469 -35.9469 -35.9433 -35.9433 -18.9718 -18.9718 -18.9060 -18.9060 -18.5549 -18.5549 -18.4084 -18.4084 -18.3103 -18.3103 -18.1954 -18.1954 -8.6583 -8.6583 -8.4804 -8.4804 -8.2821 -8.2821 -8.1748 -8.1748 3.8096 3.8096 3.9717 3.9717 4.0904 4.0904 4.1871 4.1871 4.6839 4.6839 4.9876 4.9876 5.0477 5.0477 5.3408 5.3408 5.9231 5.9231 6.4375 6.4375 6.6774 6.6774 6.6936 6.6936 12.2315 12.2315 12.7780 12.7780 12.9220 12.9220 13.2385 13.2385 13.3593 13.3593 k = 0.1447 0.3245 0.7366 ( 9692 PWs) bands (ev): -39.7865 -39.7865 -39.7615 -39.7615 -35.9467 -35.9467 -35.9434 -35.9434 -18.9731 -18.9731 -18.9086 -18.9086 -18.5583 -18.5583 -18.4111 -18.4111 -18.3093 -18.3093 -18.1956 -18.1956 -8.6359 -8.6359 -8.4654 -8.4654 -8.2777 -8.2777 -8.1748 -8.1748 3.8053 3.8053 3.9535 3.9535 4.0554 4.0554 4.1695 4.1695 4.6665 4.6665 4.9795 4.9795 5.0348 5.0348 5.2718 5.2718 5.9356 5.9356 6.4346 6.4346 6.6992 6.6992 6.7235 6.7235 12.2818 12.2818 12.7868 12.7868 12.9320 12.9320 13.2526 13.2526 13.3688 13.3688 k = 0.1513 0.3142 0.7489 ( 9696 PWs) bands (ev): -39.7858 -39.7858 -39.7621 -39.7621 -35.9466 -35.9466 -35.9435 -35.9435 -18.9743 -18.9743 -18.9113 -18.9113 -18.5616 -18.5616 -18.4138 -18.4138 -18.3083 -18.3083 -18.1957 -18.1957 -8.6140 -8.6140 -8.4517 -8.4517 -8.2725 -8.2725 -8.1747 -8.1747 3.8010 3.8010 3.9350 3.9350 4.0219 4.0219 4.1524 4.1524 4.6503 4.6503 4.9730 4.9730 5.0185 5.0185 5.2086 5.2086 5.9478 5.9478 6.4244 6.4244 6.7259 6.7259 6.7531 6.7531 12.3331 12.3331 12.7963 12.7963 12.9395 12.9395 13.2640 13.2640 13.3828 13.3828 k = 0.1579 0.3038 0.7612 ( 9696 PWs) bands (ev): -39.7850 -39.7850 -39.7627 -39.7627 -35.9465 -35.9465 -35.9435 -35.9435 -18.9756 -18.9756 -18.9139 -18.9139 -18.5646 -18.5646 -18.4164 -18.4164 -18.3073 -18.3073 -18.1959 -18.1959 -8.5927 -8.5927 -8.4395 -8.4395 -8.2665 -8.2665 -8.1744 -8.1744 3.7967 3.7967 3.9166 3.9166 3.9900 3.9900 4.1352 4.1352 4.6353 4.6353 4.9676 4.9676 4.9965 4.9965 5.1545 5.1545 5.9597 5.9597 6.4094 6.4094 6.7552 6.7552 6.7822 6.7822 12.3848 12.3848 12.8066 12.8066 12.9446 12.9446 13.2721 13.2721 13.4014 13.4014 k = 0.1645 0.2934 0.7734 ( 9698 PWs) bands (ev): -39.7842 -39.7842 -39.7633 -39.7633 -35.9464 -35.9464 -35.9436 -35.9436 -18.9767 -18.9767 -18.9164 -18.9164 -18.5675 -18.5675 -18.4189 -18.4189 -18.3063 -18.3063 -18.1961 -18.1961 -8.5722 -8.5722 -8.4287 -8.4287 -8.2597 -8.2597 -8.1738 -8.1738 3.7926 3.7926 3.8987 3.8987 3.9600 3.9600 4.1176 4.1176 4.6217 4.6217 4.9621 4.9621 4.9674 4.9674 5.1124 5.1124 5.9713 5.9713 6.3915 6.3915 6.7853 6.7853 6.8104 6.8104 12.4365 12.4365 12.8178 12.8178 12.9474 12.9474 13.2769 13.2769 13.4243 13.4243 k = 0.1711 0.2831 0.7857 ( 9702 PWs) bands (ev): -39.7834 -39.7834 -39.7640 -39.7640 -35.9463 -35.9463 -35.9437 -35.9437 -18.9779 -18.9779 -18.9189 -18.9189 -18.5702 -18.5702 -18.4213 -18.4213 -18.3054 -18.3054 -18.1963 -18.1963 -8.5525 -8.5525 -8.4196 -8.4196 -8.2522 -8.2522 -8.1731 -8.1731 3.7888 3.7888 3.8814 3.8814 3.9320 3.9320 4.0993 4.0993 4.6096 4.6096 4.9270 4.9270 4.9606 4.9606 5.0828 5.0828 5.9827 5.9827 6.3717 6.3717 6.8150 6.8150 6.8374 6.8374 12.4875 12.4875 12.8302 12.8302 12.9481 12.9481 13.2787 13.2787 13.4505 13.4505 k = 0.1776 0.2727 0.7980 ( 9700 PWs) bands (ev): -39.7826 -39.7826 -39.7647 -39.7647 -35.9462 -35.9462 -35.9438 -35.9438 -18.9789 -18.9789 -18.9213 -18.9213 -18.5727 -18.5727 -18.4236 -18.4236 -18.3045 -18.3045 -18.1965 -18.1965 -8.5338 -8.5338 -8.4120 -8.4120 -8.2441 -8.2441 -8.1721 -8.1721 3.7855 3.7855 3.8649 3.8649 3.9062 3.9062 4.0800 4.0800 4.5990 4.5990 4.8840 4.8840 4.9583 4.9583 5.0623 5.0623 5.9940 5.9940 6.3510 6.3510 6.8435 6.8435 6.8632 6.8632 12.5372 12.5372 12.8441 12.8441 12.9470 12.9470 13.2781 13.2781 13.4788 13.4788 k = 0.1842 0.2623 0.8103 ( 9702 PWs) bands (ev): -39.7818 -39.7818 -39.7654 -39.7654 -35.9461 -35.9461 -35.9439 -35.9439 -18.9799 -18.9799 -18.9237 -18.9237 -18.5750 -18.5750 -18.4257 -18.4257 -18.3037 -18.3037 -18.1967 -18.1967 -8.5163 -8.5163 -8.4059 -8.4059 -8.2356 -8.2356 -8.1709 -8.1709 3.7828 3.7828 3.8495 3.8495 3.8827 3.8827 4.0595 4.0595 4.5899 4.5899 4.8405 4.8405 4.9568 4.9568 5.0473 5.0473 6.0053 6.0053 6.3298 6.3298 6.8705 6.8705 6.8874 6.8874 12.5847 12.5847 12.8598 12.8598 12.9442 12.9442 13.2754 13.2754 13.5084 13.5084 k = 0.1908 0.2520 0.8225 ( 9702 PWs) bands (ev): -39.7810 -39.7810 -39.7661 -39.7661 -35.9460 -35.9460 -35.9440 -35.9440 -18.9808 -18.9808 -18.9258 -18.9258 -18.5771 -18.5771 -18.4277 -18.4277 -18.3029 -18.3029 -18.1969 -18.1969 -8.5000 -8.5000 -8.4012 -8.4012 -8.2271 -8.2271 -8.1696 -8.1696 3.7810 3.7810 3.8352 3.8352 3.8616 3.8616 4.0381 4.0381 4.5824 4.5824 4.7991 4.7991 4.9560 4.9560 5.0355 5.0355 6.0166 6.0166 6.3085 6.3085 6.8955 6.8955 6.9098 6.9098 12.6293 12.6293 12.8776 12.8776 12.9400 12.9400 13.2706 13.2706 13.5385 13.5385 k = 0.1974 0.2416 0.8348 ( 9702 PWs) bands (ev): -39.7801 -39.7801 -39.7669 -39.7669 -35.9458 -35.9458 -35.9441 -35.9441 -18.9817 -18.9817 -18.9278 -18.9278 -18.5789 -18.5789 -18.4295 -18.4295 -18.3022 -18.3022 -18.1971 -18.1971 -8.4850 -8.4850 -8.3977 -8.3977 -8.2188 -8.2188 -8.1681 -8.1681 3.7802 3.7802 3.8222 3.8222 3.8431 3.8431 4.0156 4.0156 4.5765 4.5765 4.7609 4.7609 4.9559 4.9559 5.0255 5.0255 6.0282 6.0282 6.2872 6.2872 6.9184 6.9184 6.9303 6.9303 12.6701 12.6701 12.8982 12.8982 12.9345 12.9345 13.2639 13.2639 13.5685 13.5685 k = 0.2039 0.2312 0.8471 ( 9702 PWs) bands (ev): -39.7793 -39.7793 -39.7676 -39.7676 -35.9457 -35.9457 -35.9442 -35.9442 -18.9824 -18.9824 -18.9297 -18.9297 -18.5806 -18.5806 -18.4312 -18.4312 -18.3015 -18.3015 -18.1972 -18.1972 -8.4714 -8.4714 -8.3953 -8.3953 -8.2109 -8.2109 -8.1666 -8.1666 3.7806 3.7806 3.8105 3.8105 3.8271 3.8271 3.9925 3.9925 4.5722 4.5722 4.7267 4.7267 4.9564 4.9564 5.0168 5.0168 6.0400 6.0400 6.2663 6.2663 6.9389 6.9389 6.9487 6.9487 12.7065 12.7065 12.9209 12.9209 12.9287 12.9287 13.2550 13.2550 13.5978 13.5979 k = 0.2105 0.2209 0.8594 ( 9700 PWs) bands (ev): -39.7784 -39.7784 -39.7684 -39.7684 -35.9456 -35.9456 -35.9443 -35.9443 -18.9830 -18.9830 -18.9313 -18.9313 -18.5820 -18.5820 -18.4326 -18.4326 -18.3010 -18.3010 -18.1974 -18.1974 -8.4591 -8.4591 -8.3938 -8.3938 -8.2036 -8.2036 -8.1651 -8.1651 3.7822 3.7822 3.8003 3.8003 3.8139 3.8139 3.9690 3.9690 4.5694 4.5694 4.6966 4.6966 4.9575 4.9575 5.0089 5.0089 6.0522 6.0522 6.2459 6.2459 6.9570 6.9570 6.9648 6.9648 12.7381 12.7381 12.9196 12.9196 12.9487 12.9487 13.2440 13.2440 13.6261 13.6261 k = 0.2171 0.2105 0.8717 ( 9694 PWs) bands (ev): -39.7776 -39.7776 -39.7692 -39.7692 -35.9455 -35.9455 -35.9444 -35.9444 -18.9836 -18.9836 -18.9328 -18.9328 -18.5832 -18.5832 -18.4338 -18.4338 -18.3005 -18.3005 -18.1975 -18.1975 -8.4483 -8.4483 -8.3932 -8.3932 -8.1971 -8.1971 -8.1636 -8.1636 3.7840 3.7840 3.7918 3.7918 3.8044 3.8044 3.9455 3.9455 4.5682 4.5682 4.6704 4.6704 4.9591 4.9591 5.0019 5.0019 6.0649 6.0649 6.2260 6.2260 6.9724 6.9724 6.9787 6.9787 12.7651 12.7651 12.9112 12.9112 12.9776 12.9776 13.2306 13.2306 13.6527 13.6527 k = 0.2237 0.2001 0.8839 ( 9688 PWs) bands (ev): -39.7767 -39.7767 -39.7700 -39.7700 -35.9454 -35.9454 -35.9445 -35.9445 -18.9840 -18.9840 -18.9339 -18.9339 -18.5842 -18.5842 -18.4348 -18.4348 -18.3000 -18.3000 -18.1977 -18.1977 -8.4389 -8.4389 -8.3934 -8.3934 -8.1916 -8.1916 -8.1623 -8.1623 3.7823 3.7823 3.7859 3.7859 3.8015 3.8015 3.9225 3.9225 4.5687 4.5687 4.6479 4.6479 4.9612 4.9612 4.9954 4.9954 6.0780 6.0780 6.2067 6.2067 6.9853 6.9853 6.9900 6.9900 12.7881 12.7881 12.9018 12.9018 13.0080 13.0080 13.2149 13.2149 13.6774 13.6774 k = 0.2303 0.1898 0.8962 ( 9678 PWs) bands (ev): -39.7758 -39.7758 -39.7708 -39.7708 -35.9452 -35.9452 -35.9446 -35.9446 -18.9844 -18.9844 -18.9349 -18.9349 -18.5849 -18.5849 -18.4356 -18.4356 -18.2997 -18.2997 -18.1978 -18.1978 -8.4311 -8.4311 -8.3942 -8.3942 -8.1871 -8.1871 -8.1612 -8.1612 3.7773 3.7773 3.7812 3.7812 3.8067 3.8067 3.9004 3.9004 4.5709 4.5709 4.6290 4.6290 4.9638 4.9638 4.9895 4.9895 6.0917 6.0917 6.1881 6.1881 6.9954 6.9954 6.9989 6.9989 12.8079 12.8079 12.8916 12.8916 13.0390 13.0390 13.1967 13.1967 13.6997 13.6997 k = 0.2368 0.1794 0.9085 ( 9674 PWs) bands (ev): -39.7750 -39.7750 -39.7716 -39.7716 -35.9451 -35.9451 -35.9447 -35.9447 -18.9846 -18.9846 -18.9356 -18.9356 -18.5855 -18.5855 -18.4362 -18.4362 -18.2995 -18.2995 -18.1978 -18.1978 -8.4249 -8.4249 -8.3953 -8.3953 -8.1839 -8.1839 -8.1604 -8.1604 3.7733 3.7733 3.7772 3.7772 3.8162 3.8162 3.8797 3.8797 4.5749 4.5749 4.6132 4.6132 4.9668 4.9668 4.9841 4.9841 6.1060 6.1060 6.1703 6.1703 7.0029 7.0029 7.0051 7.0051 12.8251 12.8251 12.8807 12.8807 13.0696 13.0696 13.1761 13.1761 13.7194 13.7194 k = 0.2434 0.1690 0.9208 ( 9688 PWs) bands (ev): -39.7741 -39.7741 -39.7724 -39.7724 -35.9450 -35.9450 -35.9448 -35.9448 -18.9848 -18.9848 -18.9360 -18.9360 -18.5858 -18.5858 -18.4366 -18.4366 -18.2994 -18.2994 -18.1979 -18.1979 -8.4208 -8.4208 -8.3965 -8.3965 -8.1819 -8.1819 -8.1599 -8.1599 3.7708 3.7708 3.7746 3.7746 3.8286 3.8286 3.8606 3.8606 4.5807 4.5807 4.6005 4.6005 4.9702 4.9702 4.9794 4.9794 6.1210 6.1210 6.1531 6.1531 7.0075 7.0075 7.0086 7.0086 12.8400 12.8400 12.8693 12.8693 13.0987 13.0987 13.1532 13.1532 13.7362 13.7366 k = 0.2500 0.1587 0.9330 ( 9684 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9848 -18.9848 -18.9361 -18.9361 -18.5859 -18.5859 -18.4367 -18.4367 -18.2993 -18.2993 -18.1979 -18.1979 -8.4193 -8.4193 -8.3970 -8.3970 -8.1812 -8.1812 -8.1597 -8.1597 3.7699 3.7699 3.7737 3.7737 3.8424 3.8424 3.8445 3.8445 4.5860 4.5860 4.5928 4.5928 4.9728 4.9728 4.9763 4.9763 6.1355 6.1355 6.1379 6.1379 7.0094 7.0094 7.0095 7.0095 12.8495 12.8495 12.8610 12.8610 13.1211 13.1211 13.1329 13.1329 13.7493 13.7500 k = 0.2500 0.1587 0.9330 ( 9684 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9848 -18.9848 -18.9361 -18.9361 -18.5859 -18.5859 -18.4367 -18.4367 -18.2993 -18.2993 -18.1979 -18.1979 -8.4193 -8.4193 -8.3970 -8.3970 -8.1812 -8.1812 -8.1597 -8.1597 3.7699 3.7699 3.7737 3.7737 3.8424 3.8424 3.8445 3.8445 4.5860 4.5860 4.5928 4.5928 4.9728 4.9728 4.9763 4.9763 6.1355 6.1355 6.1379 6.1379 7.0094 7.0094 7.0095 7.0095 12.8495 12.8495 12.8610 12.8610 13.1211 13.1211 13.1329 13.1329 13.7494 13.7500 k = 0.2625 0.1666 0.9236 ( 9694 PWs) bands (ev): -39.7737 -39.7737 -39.7729 -39.7729 -35.9450 -35.9450 -35.9448 -35.9448 -18.9847 -18.9847 -18.9362 -18.9362 -18.5857 -18.5857 -18.4370 -18.4370 -18.2990 -18.2990 -18.1980 -18.1980 -8.4196 -8.4196 -8.3969 -8.3969 -8.1814 -8.1814 -8.1598 -8.1598 3.7628 3.7628 3.7665 3.7665 3.8434 3.8434 3.8595 3.8595 4.5829 4.5829 4.5953 4.5953 4.9738 4.9738 4.9790 4.9790 6.1260 6.1260 6.1431 6.1431 7.0093 7.0093 7.0098 7.0098 12.8463 12.8463 12.8657 12.8657 13.1107 13.1107 13.1429 13.1429 13.7433 13.7447 k = 0.2750 0.1745 0.9142 ( 9697 PWs) bands (ev): -39.7741 -39.7741 -39.7725 -39.7725 -35.9450 -35.9450 -35.9448 -35.9448 -18.9845 -18.9845 -18.9363 -18.9363 -18.5850 -18.5850 -18.4380 -18.4380 -18.2982 -18.2982 -18.1983 -18.1983 -8.4206 -8.4206 -8.3967 -8.3967 -8.1820 -8.1820 -8.1601 -8.1601 3.7450 3.7450 3.7526 3.7526 3.8558 3.8558 3.8841 3.8841 4.5772 4.5772 4.5992 4.5992 4.9784 4.9784 4.9858 4.9858 6.1118 6.1118 6.1447 6.1447 7.0095 7.0095 7.0103 7.0103 12.8405 12.8405 12.8760 12.8760 13.0947 13.0947 13.1576 13.1576 13.7362 13.7369 k = 0.2875 0.1825 0.9048 ( 9699 PWs) bands (ev): -39.7745 -39.7745 -39.7721 -39.7721 -35.9451 -35.9451 -35.9447 -35.9447 -18.9841 -18.9841 -18.9366 -18.9366 -18.5839 -18.5839 -18.4396 -18.4396 -18.2968 -18.2968 -18.1988 -18.1988 -8.4218 -8.4218 -8.3967 -8.3967 -8.1829 -8.1829 -8.1606 -8.1606 3.7232 3.7232 3.7375 3.7375 3.8730 3.8730 3.9121 3.9121 4.5706 4.5706 4.6030 4.6030 4.9871 4.9871 4.9958 4.9958 6.0940 6.0940 6.1416 6.1416 7.0099 7.0099 7.0108 7.0108 12.8346 12.8346 12.8893 12.8893 13.0771 13.0771 13.1730 13.1730 13.7285 13.7289 k = 0.3000 0.1904 0.8955 ( 9698 PWs) bands (ev): -39.7748 -39.7748 -39.7718 -39.7718 -35.9451 -35.9451 -35.9447 -35.9447 -18.9835 -18.9835 -18.9370 -18.9370 -18.5823 -18.5823 -18.4417 -18.4417 -18.2949 -18.2949 -18.1995 -18.1995 -8.4233 -8.4233 -8.3969 -8.3969 -8.1843 -8.1843 -8.1613 -8.1613 3.7011 3.7011 3.7224 3.7224 3.8921 3.8921 3.9416 3.9416 4.5635 4.5635 4.6067 4.6067 5.0000 5.0000 5.0088 5.0088 6.0727 6.0727 6.1338 6.1338 7.0105 7.0105 7.0114 7.0114 12.8287 12.8287 12.9051 12.9051 13.0584 13.0584 13.1886 13.1886 13.7206 13.7207 k = 0.3125 0.1983 0.8861 ( 9690 PWs) bands (ev): -39.7751 -39.7751 -39.7715 -39.7715 -35.9451 -35.9451 -35.9447 -35.9447 -18.9828 -18.9828 -18.9375 -18.9375 -18.5804 -18.5804 -18.4444 -18.4444 -18.2926 -18.2926 -18.2004 -18.2004 -8.4248 -8.4248 -8.3974 -8.3974 -8.1860 -8.1860 -8.1624 -8.1624 3.6801 3.6801 3.7080 3.7080 3.9119 3.9119 3.9716 3.9716 4.5564 4.5564 4.6103 4.6103 5.0169 5.0169 5.0247 5.0247 6.0482 6.0482 6.1217 6.1217 7.0111 7.0111 7.0120 7.0120 12.8229 12.8229 12.9228 12.9228 13.0392 13.0392 13.2043 13.2043 13.7122 13.7123 k = 0.3250 0.2063 0.8767 ( 9687 PWs) bands (ev): -39.7753 -39.7753 -39.7713 -39.7713 -35.9452 -35.9452 -35.9446 -35.9446 -18.9818 -18.9818 -18.9381 -18.9381 -18.5780 -18.5780 -18.4474 -18.4474 -18.2899 -18.2899 -18.2015 -18.2015 -8.4263 -8.4263 -8.3982 -8.3982 -8.1882 -8.1882 -8.1639 -8.1639 3.6607 3.6607 3.6945 3.6945 3.9319 3.9319 4.0015 4.0015 4.5497 4.5497 4.6138 4.6138 5.0376 5.0376 5.0432 5.0432 6.0207 6.0207 6.1053 6.1053 7.0116 7.0116 7.0124 7.0124 12.8170 12.8170 12.9411 12.9411 13.0206 13.0206 13.2198 13.2198 13.7034 13.7035 k = 0.3375 0.2142 0.8673 ( 9701 PWs) bands (ev): -39.7755 -39.7755 -39.7711 -39.7711 -35.9452 -35.9452 -35.9446 -35.9446 -18.9807 -18.9807 -18.9388 -18.9388 -18.5752 -18.5752 -18.4509 -18.4509 -18.2869 -18.2869 -18.2028 -18.2028 -8.4277 -8.4277 -8.3993 -8.3993 -8.1907 -8.1907 -8.1658 -8.1658 3.6431 3.6431 3.6821 3.6821 3.9519 3.9519 4.0309 4.0309 4.5436 4.5436 4.6175 4.6175 5.0618 5.0618 5.0645 5.0645 5.9906 5.9906 6.0849 6.0849 7.0119 7.0119 7.0125 7.0125 12.8109 12.8109 12.9552 12.9552 13.0073 13.0073 13.2351 13.2351 13.6942 13.6942 k = 0.3500 0.2221 0.8579 ( 9697 PWs) bands (ev): -39.7757 -39.7757 -39.7710 -39.7710 -35.9452 -35.9452 -35.9446 -35.9446 -18.9795 -18.9795 -18.9396 -18.9396 -18.5720 -18.5720 -18.4546 -18.4546 -18.2837 -18.2837 -18.2043 -18.2043 -8.4291 -8.4291 -8.4006 -8.4006 -8.1935 -8.1935 -8.1682 -8.1682 3.6277 3.6277 3.6709 3.6709 3.9717 3.9717 4.0592 4.0592 4.5388 4.5388 4.6213 4.6213 5.0869 5.0869 5.0905 5.0905 5.9580 5.9580 6.0609 6.0609 7.0118 7.0118 7.0122 7.0122 12.8043 12.8043 12.9521 12.9521 13.0121 13.0121 13.2500 13.2500 13.6844 13.6845 k = 0.3625 0.2301 0.8485 ( 9694 PWs) bands (ev): -39.7758 -39.7758 -39.7709 -39.7709 -35.9452 -35.9452 -35.9446 -35.9446 -18.9780 -18.9780 -18.9404 -18.9404 -18.5685 -18.5685 -18.4586 -18.4586 -18.2803 -18.2803 -18.2060 -18.2060 -8.4304 -8.4304 -8.4023 -8.4023 -8.1967 -8.1967 -8.1711 -8.1711 3.6145 3.6145 3.6609 3.6609 3.9912 3.9912 4.0859 4.0859 4.5356 4.5356 4.6255 4.6255 5.1126 5.1126 5.1214 5.1214 5.9233 5.9233 6.0336 6.0336 7.0112 7.0112 7.0114 7.0114 12.7971 12.7971 12.9341 12.9341 13.0326 13.0326 13.2643 13.2643 13.6741 13.6741 k = 0.3750 0.2380 0.8391 ( 9697 PWs) bands (ev): -39.7758 -39.7758 -39.7709 -39.7709 -35.9453 -35.9453 -35.9446 -35.9446 -18.9764 -18.9764 -18.9413 -18.9413 -18.5646 -18.5646 -18.4627 -18.4627 -18.2768 -18.2768 -18.2079 -18.2079 -8.4316 -8.4316 -8.4043 -8.4043 -8.2001 -8.2001 -8.1746 -8.1746 3.6038 3.6038 3.6523 3.6523 4.0102 4.0102 4.1104 4.1104 4.5347 4.5347 4.6300 4.6300 5.1401 5.1401 5.1553 5.1553 5.8869 5.8869 6.0034 6.0034 7.0099 7.0099 7.0101 7.0101 12.7891 12.7891 12.9113 12.9113 13.0584 13.0584 13.2778 13.2778 13.6631 13.6632 k = 0.3875 0.2460 0.8297 ( 9705 PWs) bands (ev): -39.7759 -39.7759 -39.7710 -39.7710 -35.9453 -35.9453 -35.9446 -35.9446 -18.9746 -18.9746 -18.9423 -18.9423 -18.5605 -18.5605 -18.4669 -18.4669 -18.2732 -18.2732 -18.2099 -18.2099 -8.4327 -8.4327 -8.4065 -8.4065 -8.2038 -8.2038 -8.1788 -8.1788 3.5956 3.5956 3.6451 3.6451 4.0288 4.0288 4.1320 4.1320 4.5366 4.5366 4.6350 4.6350 5.1694 5.1694 5.1921 5.1921 5.8490 5.8490 5.9705 5.9705 7.0077 7.0077 7.0080 7.0080 12.7800 12.7800 12.8866 12.8866 13.0863 13.0863 13.2905 13.2905 13.6516 13.6516 k = 0.4000 0.2539 0.8203 ( 9707 PWs) bands (ev): -39.7758 -39.7758 -39.7710 -39.7710 -35.9453 -35.9453 -35.9446 -35.9446 -18.9727 -18.9727 -18.9432 -18.9432 -18.5561 -18.5561 -18.4712 -18.4712 -18.2697 -18.2697 -18.2121 -18.2121 -8.4337 -8.4337 -8.4089 -8.4089 -8.2076 -8.2076 -8.1835 -8.1835 3.5901 3.5901 3.6392 3.6392 4.0468 4.0468 4.1503 4.1503 4.5418 4.5418 4.6405 4.6405 5.2003 5.2003 5.2313 5.2313 5.8099 5.8099 5.9355 5.9355 7.0046 7.0046 7.0052 7.0052 12.7698 12.7698 12.8608 12.8608 13.1153 13.1153 13.3021 13.3021 13.6394 13.6394 k = 0.4125 0.2618 0.8109 ( 9705 PWs) bands (ev): -39.7757 -39.7757 -39.7712 -39.7712 -35.9453 -35.9453 -35.9446 -35.9446 -18.9707 -18.9707 -18.9442 -18.9442 -18.5515 -18.5515 -18.4754 -18.4754 -18.2661 -18.2661 -18.2144 -18.2144 -8.4346 -8.4346 -8.4116 -8.4116 -8.2117 -8.2117 -8.1889 -8.1889 3.5872 3.5872 3.6348 3.6348 4.0644 4.0644 4.1648 4.1648 4.5506 4.5506 4.6465 4.6465 5.2326 5.2326 5.2728 5.2728 5.7701 5.7701 5.8986 5.8986 7.0007 7.0007 7.0013 7.0013 12.7583 12.7583 12.8342 12.8342 13.1446 13.1446 13.3124 13.3124 13.6266 13.6267 k = 0.4250 0.2698 0.8015 ( 9699 PWs) bands (ev): -39.7756 -39.7756 -39.7714 -39.7714 -35.9452 -35.9452 -35.9447 -35.9447 -18.9685 -18.9685 -18.9452 -18.9452 -18.5467 -18.5467 -18.4796 -18.4796 -18.2627 -18.2627 -18.2168 -18.2168 -8.4355 -8.4355 -8.4146 -8.4146 -8.2159 -8.2159 -8.1950 -8.1950 3.5871 3.5871 3.6318 3.6318 4.0814 4.0814 4.1754 4.1754 4.5633 4.5633 4.6530 4.6530 5.2662 5.2662 5.3163 5.3163 5.7297 5.7297 5.8602 5.8602 6.9958 6.9958 6.9965 6.9965 12.7454 12.7454 12.8070 12.8070 13.1740 13.1740 13.3213 13.3213 13.6132 13.6133 k = 0.4375 0.2777 0.7921 ( 9701 PWs) bands (ev): -39.7754 -39.7754 -39.7716 -39.7716 -35.9452 -35.9452 -35.9447 -35.9447 -18.9662 -18.9662 -18.9461 -18.9461 -18.5418 -18.5418 -18.4835 -18.4835 -18.2595 -18.2595 -18.2192 -18.2192 -8.4362 -8.4362 -8.4178 -8.4178 -8.2203 -8.2203 -8.2016 -8.2016 3.5898 3.5898 3.6303 3.6303 4.0978 4.0978 4.1821 4.1821 4.5796 4.5796 4.6600 4.6600 5.3008 5.3008 5.3613 5.3613 5.6894 5.6894 5.8207 5.8207 6.9898 6.9898 6.9906 6.9906 12.7310 12.7310 12.7793 12.7793 13.2030 13.2030 13.3286 13.3286 13.5994 13.5994 k = 0.4500 0.2856 0.7827 ( 9700 PWs) bands (ev): -39.7751 -39.7751 -39.7719 -39.7719 -35.9452 -35.9452 -35.9447 -35.9447 -18.9638 -18.9638 -18.9470 -18.9470 -18.5371 -18.5371 -18.4871 -18.4871 -18.2566 -18.2566 -18.2216 -18.2216 -8.4370 -8.4370 -8.4213 -8.4213 -8.2247 -8.2247 -8.2089 -8.2089 3.5953 3.5953 3.6303 3.6303 4.1137 4.1137 4.1853 4.1853 4.5993 4.5993 4.6675 4.6675 5.3362 5.3362 5.4075 5.4075 5.6495 5.6495 5.7805 5.7805 6.9829 6.9829 6.9837 6.9837 12.7152 12.7152 12.7513 12.7513 13.2312 13.2312 13.3340 13.3340 13.5853 13.5854 k = 0.4625 0.2936 0.7733 ( 9700 PWs) bands (ev): -39.7748 -39.7748 -39.7723 -39.7723 -35.9451 -35.9451 -35.9448 -35.9448 -18.9614 -18.9614 -18.9478 -18.9478 -18.5325 -18.5325 -18.4901 -18.4901 -18.2541 -18.2541 -18.2237 -18.2237 -8.4377 -8.4377 -8.4251 -8.4251 -8.2293 -8.2293 -8.2167 -8.2167 3.6035 3.6035 3.6318 3.6318 4.1290 4.1290 4.1853 4.1853 4.6218 4.6218 4.6755 4.6755 5.3720 5.3720 5.4535 5.4535 5.6115 5.6115 5.7400 5.7400 6.9749 6.9749 6.9756 6.9756 12.6979 12.6979 12.7230 12.7230 13.2584 13.2584 13.3373 13.3373 13.5713 13.5714 k = 0.4750 0.3015 0.7639 ( 9702 PWs) bands (ev): -39.7745 -39.7745 -39.7727 -39.7727 -35.9451 -35.9451 -35.9449 -35.9449 -18.9591 -18.9591 -18.9483 -18.9483 -18.5287 -18.5287 -18.4922 -18.4922 -18.2523 -18.2523 -18.2254 -18.2254 -8.4386 -8.4386 -8.4292 -8.4292 -8.2339 -8.2339 -8.2249 -8.2249 3.6146 3.6146 3.6348 3.6348 4.1437 4.1437 4.1827 4.1827 4.6467 4.6467 4.6839 4.6839 5.4078 5.4078 5.4939 5.4939 5.5808 5.5808 5.6997 5.6997 6.9658 6.9658 6.9664 6.9664 12.6791 12.6791 12.6946 12.6946 13.2843 13.2843 13.3381 13.3381 13.5574 13.5606 k = 0.4875 0.3094 0.7545 ( 9706 PWs) bands (ev): -39.7741 -39.7741 -39.7731 -39.7731 -35.9451 -35.9451 -35.9449 -35.9449 -18.9571 -18.9571 -18.9483 -18.9483 -18.5259 -18.5259 -18.4929 -18.4929 -18.2515 -18.2515 -18.2264 -18.2264 -8.4397 -8.4397 -8.4335 -8.4335 -8.2386 -8.2386 -8.2335 -8.2335 3.6285 3.6285 3.6392 3.6392 4.1578 4.1578 4.1779 4.1779 4.6733 4.6733 4.6929 4.6929 5.4427 5.4427 5.5024 5.5024 5.5837 5.5837 5.6606 5.6606 6.9557 6.9557 6.9560 6.9560 12.6590 12.6590 12.6661 12.6661 13.3085 13.3085 13.3364 13.3364 13.5444 13.5461 k = 0.5000 0.3174 0.7451 ( 9700 PWs) bands (ev): -39.7737 -39.7737 -39.7737 -39.7737 -35.9450 -35.9450 -35.9450 -35.9450 -18.9558 -18.9558 -18.9476 -18.9476 -18.5246 -18.5246 -18.4918 -18.4918 -18.2518 -18.2518 -18.2265 -18.2265 -8.4418 -8.4418 -8.4373 -8.4373 -8.2440 -8.2440 -8.2415 -8.2415 3.6443 3.6443 3.6459 3.6459 4.1708 4.1708 4.1721 4.1721 4.6991 4.6991 4.7044 4.7044 5.4732 5.4732 5.4769 5.4769 5.6210 5.6210 5.6277 5.6277 6.9446 6.9446 6.9446 6.9446 12.6372 12.6372 12.6382 12.6382 13.3285 13.3285 13.3342 13.3342 13.5308 13.5340 k = 0.5000 0.3174 0.7451 ( 9700 PWs) bands (ev): -39.7737 -39.7737 -39.7737 -39.7737 -35.9450 -35.9450 -35.9450 -35.9450 -18.9558 -18.9558 -18.9476 -18.9476 -18.5246 -18.5246 -18.4918 -18.4918 -18.2518 -18.2518 -18.2265 -18.2265 -8.4418 -8.4418 -8.4373 -8.4373 -8.2440 -8.2440 -8.2415 -8.2415 3.6443 3.6443 3.6459 3.6459 4.1708 4.1708 4.1721 4.1721 4.6991 4.6991 4.7044 4.7044 5.4732 5.4732 5.4769 5.4769 5.6210 5.6210 5.6277 5.6277 6.9446 6.9446 6.9446 6.9446 12.6372 12.6372 12.6382 12.6382 13.3285 13.3285 13.3342 13.3342 13.5311 13.5329 k = 0.5000 0.3174 0.7278 ( 9708 PWs) bands (ev): -39.7737 -39.7737 -39.7737 -39.7737 -35.9450 -35.9450 -35.9450 -35.9450 -18.9541 -18.9541 -18.9452 -18.9452 -18.5236 -18.5236 -18.4879 -18.4879 -18.2535 -18.2535 -18.2259 -18.2259 -8.4480 -8.4480 -8.4430 -8.4430 -8.2572 -8.2572 -8.2544 -8.2544 3.6678 3.6678 3.6695 3.6695 4.1769 4.1769 4.1782 4.1782 4.7353 4.7353 4.7409 4.7409 5.4704 5.4704 5.4739 5.4739 5.6339 5.6339 5.6406 5.6406 6.9221 6.9221 6.9222 6.9222 12.5903 12.5903 12.5912 12.5912 13.3411 13.3411 13.3478 13.3478 13.4942 13.4948 k = 0.5000 0.3174 0.7104 ( 9704 PWs) bands (ev): -39.7738 -39.7738 -39.7738 -39.7738 -35.9450 -35.9450 -35.9450 -35.9450 -18.9522 -18.9522 -18.9426 -18.9426 -18.5225 -18.5225 -18.4839 -18.4839 -18.2552 -18.2552 -18.2253 -18.2253 -8.4547 -8.4547 -8.4493 -8.4493 -8.2713 -8.2713 -8.2682 -8.2682 3.6929 3.6929 3.6948 3.6948 4.1840 4.1840 4.1851 4.1851 4.7739 4.7739 4.7796 4.7796 5.4678 5.4678 5.4711 5.4711 5.6474 5.6474 5.6541 5.6541 6.8986 6.8986 6.8987 6.8987 12.5423 12.5423 12.5431 12.5431 13.3511 13.3511 13.3593 13.3593 13.4558 13.4590 k = 0.5000 0.3174 0.6931 ( 9708 PWs) bands (ev): -39.7739 -39.7739 -39.7739 -39.7739 -35.9450 -35.9450 -35.9450 -35.9450 -18.9501 -18.9501 -18.9399 -18.9399 -18.5212 -18.5212 -18.4796 -18.4796 -18.2570 -18.2570 -18.2247 -18.2247 -8.4618 -8.4618 -8.4559 -8.4559 -8.2862 -8.2862 -8.2828 -8.2828 3.7195 3.7195 3.7215 3.7215 4.1921 4.1921 4.1931 4.1931 4.8148 4.8148 4.8206 4.8206 5.4655 5.4655 5.4686 5.4686 5.6613 5.6613 5.6681 5.6681 6.8742 6.8742 6.8743 6.8743 12.4933 12.4933 12.4940 12.4940 13.3552 13.3552 13.3658 13.3658 13.4205 13.4235 k = 0.5000 0.3174 0.6758 ( 9708 PWs) bands (ev): -39.7740 -39.7740 -39.7740 -39.7740 -35.9451 -35.9451 -35.9451 -35.9451 -18.9479 -18.9479 -18.9371 -18.9371 -18.5197 -18.5197 -18.4752 -18.4752 -18.2589 -18.2589 -18.2242 -18.2242 -8.4693 -8.4693 -8.4630 -8.4630 -8.3018 -8.3018 -8.2981 -8.2981 3.7474 3.7474 3.7497 3.7497 4.2011 4.2011 4.2019 4.2019 4.8577 4.8577 4.8637 4.8637 5.4635 5.4635 5.4664 5.4664 5.6757 5.6757 5.6824 5.6824 6.8490 6.8490 6.8491 6.8491 12.4435 12.4435 12.4441 12.4441 13.3429 13.3430 13.3520 13.3521 13.4011 13.4016 k = 0.5000 0.3174 0.6585 ( 9704 PWs) bands (ev): -39.7740 -39.7740 -39.7740 -39.7740 -35.9451 -35.9451 -35.9451 -35.9451 -18.9456 -18.9456 -18.9342 -18.9342 -18.5180 -18.5180 -18.4707 -18.4707 -18.2608 -18.2608 -18.2238 -18.2238 -8.4773 -8.4773 -8.4705 -8.4705 -8.3181 -8.3181 -8.3141 -8.3141 3.7767 3.7767 3.7791 3.7791 4.2109 4.2109 4.2116 4.2116 4.9027 4.9027 4.9087 4.9087 5.4618 5.4618 5.4645 5.4645 5.6904 5.6904 5.6971 5.6971 6.8233 6.8233 6.8235 6.8235 12.3930 12.3930 12.3935 12.3935 13.3101 13.3101 13.3145 13.3148 13.4038 13.4056 k = 0.5000 0.3174 0.6411 ( 9692 PWs) bands (ev): -39.7741 -39.7741 -39.7741 -39.7741 -35.9451 -35.9451 -35.9451 -35.9451 -18.9431 -18.9431 -18.9311 -18.9311 -18.5162 -18.5162 -18.4660 -18.4660 -18.2627 -18.2627 -18.2234 -18.2234 -8.4857 -8.4857 -8.4784 -8.4784 -8.3351 -8.3351 -8.3306 -8.3306 3.8071 3.8071 3.8097 3.8097 4.2217 4.2217 4.2223 4.2223 4.9494 4.9494 4.9555 4.9555 5.4606 5.4606 5.4630 5.4630 5.7054 5.7054 5.7121 5.7121 6.7974 6.7974 6.7977 6.7977 12.3419 12.3419 12.3424 12.3424 13.2682 13.2682 13.2703 13.2703 13.4105 13.4105 k = 0.5000 0.3174 0.6238 ( 9694 PWs) bands (ev): -39.7742 -39.7742 -39.7742 -39.7742 -35.9451 -35.9451 -35.9451 -35.9451 -18.9404 -18.9404 -18.9280 -18.9280 -18.5142 -18.5142 -18.4612 -18.4612 -18.2647 -18.2647 -18.2230 -18.2230 -8.4944 -8.4944 -8.4867 -8.4867 -8.3525 -8.3525 -8.3477 -8.3477 3.8384 3.8384 3.8412 3.8412 4.2334 4.2334 4.2337 4.2337 4.9978 4.9978 5.0039 5.0039 5.4598 5.4598 5.4620 5.4620 5.7207 5.7207 5.7272 5.7272 6.7714 6.7714 6.7717 6.7717 12.2904 12.2904 12.2908 12.2908 13.2226 13.2226 13.2237 13.2237 13.4166 13.4176 k = 0.5000 0.3174 0.6065 ( 9696 PWs) bands (ev): -39.7743 -39.7743 -39.7743 -39.7743 -35.9451 -35.9451 -35.9451 -35.9451 -18.9377 -18.9377 -18.9247 -18.9247 -18.5120 -18.5120 -18.4563 -18.4563 -18.2668 -18.2668 -18.2228 -18.2228 -8.5036 -8.5036 -8.4953 -8.4953 -8.3704 -8.3704 -8.3651 -8.3651 3.8706 3.8706 3.8735 3.8735 4.2458 4.2458 4.2460 4.2460 5.0477 5.0477 5.0538 5.0538 5.4596 5.4596 5.4615 5.4615 5.7361 5.7361 5.7425 5.7425 6.7456 6.7456 6.7460 6.7460 12.2387 12.2387 12.2390 12.2390 13.1751 13.1751 13.1756 13.1756 13.4227 13.4234 k = 0.5000 0.3174 0.5891 ( 9700 PWs) bands (ev): -39.7744 -39.7744 -39.7744 -39.7744 -35.9452 -35.9452 -35.9452 -35.9452 -18.9348 -18.9348 -18.9214 -18.9214 -18.5097 -18.5097 -18.4512 -18.4512 -18.2688 -18.2688 -18.2225 -18.2225 -8.5132 -8.5132 -8.5043 -8.5043 -8.3886 -8.3886 -8.3829 -8.3829 3.9034 3.9034 3.9066 3.9066 4.2590 4.2590 4.2591 4.2591 5.0986 5.0986 5.1048 5.1048 5.4601 5.4601 5.4616 5.4616 5.7517 5.7517 5.7579 5.7579 6.7203 6.7203 6.7207 6.7207 12.1869 12.1869 12.1871 12.1871 13.1262 13.1262 13.1263 13.1263 13.4285 13.4293 k = 0.5000 0.3174 0.5718 ( 9702 PWs) bands (ev): -39.7745 -39.7745 -39.7745 -39.7745 -35.9452 -35.9452 -35.9452 -35.9452 -18.9318 -18.9318 -18.9180 -18.9180 -18.5072 -18.5072 -18.4461 -18.4461 -18.2710 -18.2710 -18.2224 -18.2224 -8.5231 -8.5231 -8.5137 -8.5137 -8.4070 -8.4070 -8.4008 -8.4008 3.9368 3.9368 3.9401 3.9401 4.2729 4.2729 4.2730 4.2730 5.1504 5.1504 5.1566 5.1566 5.4614 5.4614 5.4626 5.4626 5.7674 5.7674 5.7733 5.7733 6.6955 6.6955 6.6960 6.6960 12.1351 12.1351 12.1353 12.1353 13.0760 13.0760 13.0762 13.0762 13.4335 13.4348 k = 0.5000 0.3174 0.5545 ( 9716 PWs) bands (ev): -39.7746 -39.7746 -39.7746 -39.7746 -35.9452 -35.9452 -35.9452 -35.9452 -18.9288 -18.9288 -18.9146 -18.9146 -18.5047 -18.5047 -18.4409 -18.4409 -18.2731 -18.2731 -18.2222 -18.2222 -8.5335 -8.5335 -8.5236 -8.5236 -8.4255 -8.4255 -8.4189 -8.4189 3.9705 3.9705 3.9739 3.9739 4.2874 4.2874 4.2876 4.2876 5.2025 5.2025 5.2087 5.2087 5.4640 5.4640 5.4647 5.4647 5.7833 5.7833 5.7888 5.7888 6.6716 6.6716 6.6722 6.6722 12.0837 12.0837 12.0837 12.0837 13.0249 13.0249 13.0253 13.0253 13.4385 13.4399 k = 0.5000 0.3174 0.5372 ( 9728 PWs) bands (ev): -39.7748 -39.7748 -39.7748 -39.7748 -35.9452 -35.9452 -35.9452 -35.9452 -18.9256 -18.9256 -18.9111 -18.9111 -18.5020 -18.5020 -18.4357 -18.4357 -18.2753 -18.2753 -18.2222 -18.2222 -8.5443 -8.5443 -8.5338 -8.5338 -8.4440 -8.4440 -8.4368 -8.4368 4.0043 4.0043 4.0079 4.0079 4.3025 4.3025 4.3029 4.3029 5.2543 5.2543 5.2606 5.2606 5.4682 5.4682 5.4682 5.4682 5.7993 5.7993 5.8044 5.8044 6.6487 6.6487 6.6495 6.6495 12.0326 12.0326 12.0327 12.0327 12.9730 12.9730 12.9736 12.9736 13.4435 13.4443 k = 0.5000 0.3174 0.5198 ( 9730 PWs) bands (ev): -39.7749 -39.7749 -39.7749 -39.7749 -35.9452 -35.9452 -35.9452 -35.9452 -18.9224 -18.9224 -18.9076 -18.9076 -18.4992 -18.4992 -18.4303 -18.4303 -18.2776 -18.2776 -18.2222 -18.2222 -8.5556 -8.5556 -8.5446 -8.5446 -8.4623 -8.4623 -8.4546 -8.4546 4.0380 4.0380 4.0418 4.0418 4.3183 4.3183 4.3188 4.3188 5.3044 5.3044 5.3111 5.3111 5.4739 5.4739 5.4750 5.4750 5.8158 5.8158 5.8201 5.8201 6.6270 6.6270 6.6280 6.6280 11.9821 11.9821 11.9823 11.9823 12.9206 12.9206 12.9213 12.9213 13.4454 13.4459 k = 0.5000 0.3174 0.5025 ( 9722 PWs) bands (ev): -39.7750 -39.7750 -39.7750 -39.7750 -35.9453 -35.9453 -35.9453 -35.9453 -18.9191 -18.9191 -18.9041 -18.9041 -18.4962 -18.4962 -18.4250 -18.4250 -18.2798 -18.2798 -18.2222 -18.2222 -8.5675 -8.5675 -8.5560 -8.5560 -8.4802 -8.4802 -8.4721 -8.4721 4.0714 4.0714 4.0753 4.0753 4.3347 4.3347 4.3353 4.3353 5.3509 5.3509 5.3581 5.3581 5.4835 5.4835 5.4860 5.4860 5.8328 5.8328 5.8364 5.8364 6.6068 6.6068 6.6079 6.6079 11.9324 11.9324 11.9326 11.9326 12.8676 12.8676 12.8685 12.8685 13.4479 13.4502 k = 0.5000 0.3174 0.4852 ( 9718 PWs) bands (ev): -39.7751 -39.7751 -39.7751 -39.7751 -35.9453 -35.9453 -35.9453 -35.9453 -18.9157 -18.9157 -18.9005 -18.9005 -18.4932 -18.4932 -18.4196 -18.4196 -18.2821 -18.2821 -18.2224 -18.2224 -8.5798 -8.5798 -8.5680 -8.5680 -8.4975 -8.4975 -8.4891 -8.4891 4.1042 4.1042 4.1083 4.1083 4.3516 4.3516 4.3523 4.3523 5.3902 5.3902 5.3983 5.3983 5.4998 5.4998 5.5041 5.5041 5.8510 5.8510 5.8535 5.8535 6.5880 6.5880 6.5893 6.5893 11.8836 11.8836 11.8840 11.8840 12.8142 12.8142 12.8152 12.8152 13.4501 13.4509 k = 0.5000 0.3174 0.4679 ( 9720 PWs) bands (ev): -39.7752 -39.7752 -39.7752 -39.7752 -35.9453 -35.9453 -35.9453 -35.9453 -18.9123 -18.9123 -18.8969 -18.8969 -18.4901 -18.4901 -18.4143 -18.4143 -18.2844 -18.2844 -18.2226 -18.2226 -8.5928 -8.5928 -8.5809 -8.5809 -8.5140 -8.5140 -8.5055 -8.5055 4.1362 4.1362 4.1405 4.1405 4.3692 4.3692 4.3699 4.3699 5.4194 5.4194 5.4276 5.4276 5.5259 5.5259 5.5317 5.5317 5.8708 5.8708 5.8720 5.8720 6.5707 6.5707 6.5723 6.5723 11.8360 11.8360 11.8365 11.8365 12.7605 12.7605 12.7616 12.7616 13.4520 13.4529 k = 0.5000 0.3174 0.4505 ( 9716 PWs) bands (ev): -39.7753 -39.7753 -39.7753 -39.7753 -35.9453 -35.9453 -35.9453 -35.9453 -18.9088 -18.9088 -18.8934 -18.8934 -18.4869 -18.4869 -18.4089 -18.4089 -18.2867 -18.2867 -18.2228 -18.2228 -8.6064 -8.6064 -8.5946 -8.5946 -8.5296 -8.5296 -8.5211 -8.5211 4.1672 4.1672 4.1716 4.1716 4.3872 4.3872 4.3880 4.3880 5.4393 5.4393 5.4470 5.4470 5.5603 5.5603 5.5669 5.5669 5.8929 5.8929 5.8932 5.8932 6.5551 6.5551 6.5569 6.5569 11.7896 11.7896 11.7902 11.7902 12.7065 12.7065 12.7077 12.7077 13.4532 13.4532 k = 0.5000 0.3174 0.4332 ( 9712 PWs) bands (ev): -39.7754 -39.7754 -39.7754 -39.7754 -35.9453 -35.9453 -35.9453 -35.9453 -18.9054 -18.9054 -18.8899 -18.8899 -18.4836 -18.4836 -18.4036 -18.4036 -18.2890 -18.2890 -18.2232 -18.2232 -8.6206 -8.6206 -8.6091 -8.6091 -8.5441 -8.5441 -8.5360 -8.5360 4.1968 4.1968 4.2013 4.2013 4.4058 4.4058 4.4066 4.4066 5.4540 5.4540 5.4610 5.4610 5.5970 5.5970 5.6044 5.6044 5.9172 5.9172 5.9192 5.9192 6.5410 6.5410 6.5432 6.5432 11.7448 11.7448 11.7455 11.7455 12.6524 12.6524 12.6537 12.6537 13.4547 13.4581 k = 0.5000 0.3174 0.4159 ( 9704 PWs) bands (ev): -39.7756 -39.7756 -39.7756 -39.7756 -35.9453 -35.9453 -35.9453 -35.9453 -18.9019 -18.9019 -18.8864 -18.8864 -18.4802 -18.4802 -18.3984 -18.3984 -18.2913 -18.2913 -18.2236 -18.2236 -8.6354 -8.6354 -8.6245 -8.6245 -8.5575 -8.5575 -8.5499 -8.5499 4.2249 4.2249 4.2296 4.2296 4.4249 4.4249 4.4256 4.4256 5.4666 5.4666 5.4730 5.4730 5.6317 5.6317 5.6400 5.6400 5.9459 5.9459 5.9497 5.9497 6.5285 6.5285 6.5310 6.5310 11.7016 11.7016 11.7024 11.7024 12.5982 12.5982 12.5997 12.5997 13.4549 13.4549 k = 0.5000 0.3174 0.3985 ( 9712 PWs) bands (ev): -39.7757 -39.7757 -39.7757 -39.7757 -35.9453 -35.9453 -35.9453 -35.9453 -18.8984 -18.8984 -18.8830 -18.8830 -18.4768 -18.4768 -18.3933 -18.3933 -18.2935 -18.2935 -18.2241 -18.2241 -8.6506 -8.6506 -8.6405 -8.6405 -8.5699 -8.5699 -8.5631 -8.5631 4.2512 4.2512 4.2560 4.2560 4.4444 4.4444 4.4451 4.4451 5.4789 5.4789 5.4849 5.4849 5.6620 5.6620 5.6713 5.6713 5.9800 5.9800 5.9853 5.9853 6.5173 6.5173 6.5202 6.5202 11.6601 11.6601 11.6611 11.6611 12.5441 12.5441 12.5456 12.5456 13.4555 13.4587 k = 0.5000 0.3174 0.3812 ( 9708 PWs) bands (ev): -39.7758 -39.7758 -39.7758 -39.7758 -35.9454 -35.9454 -35.9454 -35.9454 -18.8949 -18.8949 -18.8796 -18.8796 -18.4733 -18.4733 -18.3884 -18.3884 -18.2957 -18.2957 -18.2247 -18.2247 -8.6662 -8.6662 -8.6569 -8.6569 -8.5814 -8.5814 -8.5754 -8.5754 4.2755 4.2755 4.2805 4.2805 4.4643 4.4643 4.4648 4.4648 5.4917 5.4917 5.4975 5.4975 5.6870 5.6870 5.6971 5.6971 6.0195 6.0195 6.0262 6.0262 6.5074 6.5074 6.5106 6.5106 11.6207 11.6207 11.6218 11.6218 12.4902 12.4902 12.4918 12.4918 13.4556 13.4556 k = 0.5000 0.3174 0.3639 ( 9704 PWs) bands (ev): -39.7759 -39.7759 -39.7759 -39.7759 -35.9454 -35.9454 -35.9454 -35.9454 -18.8914 -18.8914 -18.8763 -18.8763 -18.4697 -18.4697 -18.3836 -18.3836 -18.2977 -18.2977 -18.2253 -18.2253 -8.6819 -8.6819 -8.6734 -8.6734 -8.5922 -8.5922 -8.5870 -8.5870 4.2979 4.2979 4.3030 4.3030 4.4843 4.4843 4.4848 4.4848 5.5054 5.5054 5.5110 5.5110 5.7071 5.7071 5.7175 5.7175 6.0640 6.0640 6.0715 6.0715 6.4985 6.4985 6.5022 6.5022 11.5833 11.5833 11.5845 11.5845 12.4365 12.4365 12.4382 12.4382 13.4559 13.4563 k = 0.5000 0.3174 0.3466 ( 9704 PWs) bands (ev): -39.7760 -39.7760 -39.7760 -39.7760 -35.9454 -35.9454 -35.9454 -35.9454 -18.8880 -18.8880 -18.8731 -18.8731 -18.4661 -18.4661 -18.3790 -18.3790 -18.2996 -18.2996 -18.2261 -18.2261 -8.6976 -8.6976 -8.6900 -8.6900 -8.6023 -8.6023 -8.5978 -8.5978 4.3182 4.3182 4.3234 4.3234 4.5044 4.5044 4.5047 4.5047 5.5203 5.5203 5.5260 5.5260 5.7228 5.7228 5.7333 5.7333 6.1122 6.1122 6.1203 6.1203 6.4904 6.4904 6.4946 6.4946 11.5481 11.5481 11.5495 11.5495 12.3832 12.3832 12.3851 12.3851 13.4557 13.4557 k = 0.5000 0.3174 0.3292 ( 9698 PWs) bands (ev): -39.7761 -39.7761 -39.7761 -39.7761 -35.9454 -35.9454 -35.9454 -35.9454 -18.8846 -18.8846 -18.8700 -18.8700 -18.4625 -18.4625 -18.3748 -18.3748 -18.3013 -18.3013 -18.2269 -18.2269 -8.7133 -8.7133 -8.7064 -8.7064 -8.6119 -8.6119 -8.6080 -8.6080 4.3365 4.3365 4.3418 4.3418 4.5243 4.5243 4.5243 4.5243 5.5367 5.5367 5.5424 5.5424 5.7351 5.7351 5.7455 5.7455 6.1631 6.1631 6.1715 6.1715 6.4830 6.4830 6.4877 6.4877 11.5152 11.5152 11.5168 11.5168 12.3305 12.3305 12.3324 12.3324 13.4557 13.4557 k = 0.5000 0.3174 0.3119 ( 9704 PWs) bands (ev): -39.7762 -39.7762 -39.7762 -39.7762 -35.9454 -35.9454 -35.9454 -35.9454 -18.8813 -18.8813 -18.8670 -18.8670 -18.4588 -18.4588 -18.3709 -18.3709 -18.3027 -18.3027 -18.2279 -18.2279 -8.7287 -8.7287 -8.7226 -8.7226 -8.6209 -8.6209 -8.6177 -8.6177 4.3528 4.3528 4.3582 4.3582 4.5435 4.5435 4.5437 4.5437 5.5546 5.5546 5.5605 5.5605 5.7449 5.7449 5.7550 5.7550 6.2153 6.2153 6.2240 6.2240 6.4761 6.4761 6.4814 6.4814 11.4848 11.4848 11.4864 11.4864 12.2784 12.2784 12.2805 12.2805 13.4562 13.4587 k = 0.5000 0.3174 0.2946 ( 9698 PWs) bands (ev): -39.7763 -39.7763 -39.7763 -39.7763 -35.9454 -35.9454 -35.9454 -35.9454 -18.8780 -18.8780 -18.8642 -18.8642 -18.4551 -18.4551 -18.3675 -18.3675 -18.3038 -18.3038 -18.2289 -18.2289 -8.7438 -8.7438 -8.7383 -8.7383 -8.6294 -8.6294 -8.6267 -8.6267 4.3673 4.3673 4.3727 4.3727 4.5620 4.5620 4.5624 4.5624 5.5741 5.5741 5.5801 5.5801 5.7528 5.7528 5.7626 5.7626 6.2675 6.2675 6.2765 6.2765 6.4698 6.4698 6.4757 6.4757 11.4568 11.4568 11.4586 11.4586 12.2272 12.2272 12.2293 12.2293 13.4559 13.4564 k = 0.5000 0.3174 0.2772 ( 9694 PWs) bands (ev): -39.7764 -39.7764 -39.7764 -39.7764 -35.9454 -35.9454 -35.9454 -35.9454 -18.8748 -18.8748 -18.8615 -18.8615 -18.4514 -18.4514 -18.3647 -18.3647 -18.3044 -18.3044 -18.2300 -18.2300 -8.7584 -8.7584 -8.7535 -8.7535 -8.6375 -8.6375 -8.6353 -8.6353 4.3802 4.3802 4.3855 4.3855 4.5796 4.5796 4.5802 4.5802 5.5952 5.5952 5.6015 5.6015 5.7594 5.7594 5.7688 5.7688 6.3183 6.3183 6.3276 6.3276 6.4645 6.4645 6.4712 6.4712 11.4314 11.4314 11.4334 11.4334 12.1769 12.1769 12.1791 12.1791 13.4560 13.4563 k = 0.5000 0.3174 0.2599 ( 9702 PWs) bands (ev): -39.7765 -39.7765 -39.7765 -39.7765 -35.9454 -35.9454 -35.9454 -35.9454 -18.8718 -18.8718 -18.8589 -18.8589 -18.4476 -18.4476 -18.3626 -18.3626 -18.3046 -18.3046 -18.2313 -18.2313 -8.7725 -8.7725 -8.7681 -8.7681 -8.6451 -8.6451 -8.6433 -8.6433 4.3914 4.3914 4.3967 4.3967 4.5962 4.5962 4.5969 4.5969 5.6179 5.6179 5.6244 5.6244 5.7651 5.7651 5.7742 5.7742 6.3646 6.3646 6.3741 6.3741 6.4627 6.4627 6.4701 6.4701 11.4086 11.4086 11.4107 11.4107 12.1277 12.1277 12.1301 12.1301 13.4563 13.4571 k = 0.5000 0.3174 0.2426 ( 9698 PWs) bands (ev): -39.7766 -39.7766 -39.7766 -39.7766 -35.9454 -35.9454 -35.9454 -35.9454 -18.8688 -18.8688 -18.8565 -18.8565 -18.4438 -18.4438 -18.3611 -18.3611 -18.3041 -18.3041 -18.2326 -18.2326 -8.7860 -8.7860 -8.7820 -8.7820 -8.6523 -8.6523 -8.6508 -8.6508 4.4012 4.4012 4.4063 4.4063 4.6116 4.6116 4.6125 4.6125 5.6419 5.6419 5.6488 5.6488 5.7701 5.7701 5.7790 5.7790 6.3985 6.3985 6.4058 6.4058 6.4738 6.4738 6.4796 6.4796 11.3885 11.3885 11.3906 11.3906 12.0799 12.0799 12.0823 12.0823 13.4572 13.4593 k = 0.5000 0.3174 0.2253 ( 9702 PWs) bands (ev): -39.7767 -39.7767 -39.7767 -39.7767 -35.9454 -35.9454 -35.9454 -35.9454 -18.8659 -18.8659 -18.8542 -18.8542 -18.4400 -18.4400 -18.3604 -18.3604 -18.3030 -18.3030 -18.2341 -18.2341 -8.7988 -8.7988 -8.7952 -8.7952 -8.6591 -8.6591 -8.6579 -8.6579 4.4097 4.4097 4.4147 4.4147 4.6258 4.6258 4.6268 4.6268 5.6672 5.6672 5.6746 5.6746 5.7749 5.7749 5.7835 5.7835 6.4106 6.4106 6.4128 6.4128 6.5070 6.5070 6.5082 6.5082 11.3709 11.3709 11.3731 11.3731 12.0336 12.0336 12.0360 12.0360 13.4577 13.4581 k = 0.5000 0.3174 0.2079 ( 9696 PWs) bands (ev): -39.7767 -39.7767 -39.7767 -39.7767 -35.9454 -35.9454 -35.9454 -35.9454 -18.8631 -18.8631 -18.8521 -18.8521 -18.4362 -18.4362 -18.3605 -18.3605 -18.3013 -18.3013 -18.2357 -18.2357 -8.8108 -8.8108 -8.8076 -8.8076 -8.6654 -8.6654 -8.6644 -8.6644 4.4170 4.4170 4.4218 4.4218 4.6387 4.6387 4.6399 4.6399 5.6934 5.6934 5.7014 5.7014 5.7794 5.7794 5.7881 5.7881 6.4074 6.4074 6.4082 6.4082 6.5484 6.5484 6.5497 6.5497 11.3559 11.3559 11.3582 11.3582 11.9889 11.9889 11.9914 11.9914 13.4585 13.4585 k = 0.5000 0.3174 0.1906 ( 9704 PWs) bands (ev): -39.7768 -39.7768 -39.7768 -39.7768 -35.9454 -35.9454 -35.9454 -35.9454 -18.8605 -18.8605 -18.8502 -18.8502 -18.4324 -18.4324 -18.3612 -18.3612 -18.2991 -18.2991 -18.2374 -18.2374 -8.8221 -8.8221 -8.8193 -8.8193 -8.6712 -8.6712 -8.6704 -8.6704 4.4232 4.4232 4.4278 4.4278 4.6503 4.6503 4.6516 4.6516 5.7201 5.7201 5.7291 5.7291 5.7840 5.7840 5.7930 5.7930 6.3976 6.3976 6.3998 6.3998 6.5910 6.5910 6.5933 6.5933 11.3433 11.3433 11.3457 11.3457 11.9461 11.9461 11.9487 11.9487 13.4597 13.4597 k = 0.5000 0.3174 0.1733 ( 9692 PWs) bands (ev): -39.7769 -39.7769 -39.7769 -39.7769 -35.9454 -35.9454 -35.9454 -35.9454 -18.8580 -18.8580 -18.8485 -18.8485 -18.4286 -18.4286 -18.3625 -18.3625 -18.2966 -18.2966 -18.2392 -18.2392 -8.8325 -8.8325 -8.8300 -8.8300 -8.6766 -8.6766 -8.6760 -8.6760 4.4285 4.4285 4.4327 4.4327 4.6607 4.6607 4.6620 4.6620 5.7463 5.7463 5.7566 5.7566 5.7893 5.7893 5.7990 5.7990 6.3855 6.3855 6.3885 6.3885 6.6327 6.6327 6.6353 6.6353 11.3332 11.3332 11.3356 11.3356 11.9055 11.9055 11.9081 11.9081 13.4613 13.4638 k = 0.5000 0.3174 0.1560 ( 9702 PWs) bands (ev): -39.7769 -39.7769 -39.7769 -39.7769 -35.9455 -35.9455 -35.9454 -35.9454 -18.8557 -18.8557 -18.8470 -18.8470 -18.4247 -18.4247 -18.3642 -18.3642 -18.2936 -18.2936 -18.2411 -18.2411 -8.8420 -8.8420 -8.8398 -8.8398 -8.6815 -8.6815 -8.6810 -8.6810 4.4329 4.4329 4.4368 4.4368 4.6699 4.6699 4.6712 4.6712 5.7695 5.7695 5.7798 5.7798 5.7991 5.7991 5.8085 5.8085 6.3717 6.3717 6.3753 6.3753 6.6720 6.6720 6.6747 6.6747 11.3253 11.3253 11.3278 11.3278 11.8672 11.8672 11.8698 11.8698 13.4630 13.4636 k = 0.5000 0.3174 0.1386 ( 9706 PWs) bands (ev): -39.7770 -39.7770 -39.7770 -39.7770 -35.9455 -35.9455 -35.9455 -35.9455 -18.8535 -18.8535 -18.8457 -18.8457 -18.4209 -18.4209 -18.3664 -18.3664 -18.2905 -18.2905 -18.2432 -18.2432 -8.8506 -8.8506 -8.8487 -8.8487 -8.6859 -8.6859 -8.6855 -8.6855 4.4365 4.4365 4.4402 4.4402 4.6779 4.6779 4.6792 4.6792 5.7850 5.7850 5.7901 5.7901 5.8219 5.8219 5.8255 5.8255 6.3567 6.3567 6.3606 6.3606 6.7085 6.7085 6.7110 6.7110 11.3196 11.3196 11.3220 11.3220 11.8316 11.8316 11.8341 11.8341 13.4649 13.4649 k = 0.5000 0.3174 0.1213 ( 9706 PWs) bands (ev): -39.7771 -39.7771 -39.7771 -39.7771 -35.9455 -35.9455 -35.9455 -35.9455 -18.8515 -18.8515 -18.8445 -18.8445 -18.4171 -18.4171 -18.3688 -18.3688 -18.2872 -18.2872 -18.2454 -18.2454 -8.8583 -8.8583 -8.8567 -8.8567 -8.6898 -8.6898 -8.6895 -8.6895 4.4396 4.4396 4.4428 4.4428 4.6848 4.6848 4.6860 4.6860 5.7933 5.7933 5.7949 5.7949 5.8494 5.8494 5.8497 5.8497 6.3407 6.3407 6.3447 6.3447 6.7415 6.7415 6.7439 6.7439 11.3157 11.3157 11.3180 11.3180 11.7989 11.7989 11.8013 11.8013 13.4670 13.4670 k = 0.5000 0.3174 0.1040 ( 9702 PWs) bands (ev): -39.7771 -39.7771 -39.7771 -39.7771 -35.9455 -35.9455 -35.9455 -35.9455 -18.8497 -18.8497 -18.8436 -18.8436 -18.4133 -18.4133 -18.3716 -18.3716 -18.2839 -18.2839 -18.2477 -18.2477 -8.8650 -8.8650 -8.8636 -8.8636 -8.6932 -8.6932 -8.6930 -8.6930 4.4420 4.4420 4.4448 4.4448 4.6907 4.6907 4.6918 4.6918 5.7982 5.7982 5.7984 5.7984 5.8756 5.8756 5.8776 5.8776 6.3241 6.3241 6.3281 6.3281 6.7709 6.7709 6.7730 6.7730 11.3134 11.3134 11.3156 11.3156 11.7694 11.7694 11.7716 11.7716 13.4692 13.4709 k = 0.5000 0.3174 0.0866 ( 9694 PWs) bands (ev): -39.7771 -39.7771 -39.7771 -39.7771 -35.9455 -35.9455 -35.9455 -35.9455 -18.8480 -18.8480 -18.8430 -18.8430 -18.4095 -18.4095 -18.3745 -18.3745 -18.2805 -18.2805 -18.2501 -18.2501 -8.8706 -8.8706 -8.8695 -8.8695 -8.6961 -8.6961 -8.6960 -8.6960 4.4440 4.4440 4.4464 4.4464 4.6956 4.6956 4.6966 4.6966 5.8014 5.8014 5.8017 5.8017 5.9017 5.9017 5.9043 5.9043 6.3073 6.3073 6.3112 6.3112 6.7962 6.7962 6.7980 6.7980 11.3124 11.3124 11.3144 11.3144 11.7435 11.7435 11.7455 11.7455 13.4713 13.4727 k = 0.5000 0.3174 0.0693 ( 9686 PWs) bands (ev): -39.7772 -39.7772 -39.7772 -39.7772 -35.9455 -35.9455 -35.9455 -35.9455 -18.8466 -18.8466 -18.8425 -18.8425 -18.4058 -18.4058 -18.3776 -18.3776 -18.2771 -18.2771 -18.2527 -18.2527 -8.8753 -8.8753 -8.8744 -8.8744 -8.6985 -8.6985 -8.6984 -8.6984 4.4455 4.4455 4.4475 4.4475 4.6996 4.6996 4.7004 4.7004 5.8038 5.8038 5.8043 5.8043 5.9262 5.9262 5.9290 5.9290 6.2911 6.2911 6.2947 6.2947 6.8172 6.8172 6.8187 6.8187 11.3124 11.3124 11.3141 11.3141 11.7216 11.7216 11.7234 11.7234 13.4734 13.4745 k = 0.5000 0.3174 0.0520 ( 9700 PWs) bands (ev): -39.7772 -39.7772 -39.7772 -39.7772 -35.9455 -35.9455 -35.9455 -35.9455 -18.8453 -18.8453 -18.8423 -18.8423 -18.4021 -18.4021 -18.3808 -18.3808 -18.2737 -18.2737 -18.2553 -18.2553 -8.8789 -8.8789 -8.8782 -8.8782 -8.7004 -8.7004 -8.7003 -8.7003 4.4467 4.4467 4.4482 4.4482 4.7026 4.7026 4.7032 4.7032 5.8058 5.8058 5.8062 5.8062 5.9479 5.9479 5.9505 5.9505 6.2763 6.2763 6.2794 6.2794 6.8338 6.8338 6.8349 6.8349 11.3130 11.3130 11.3144 11.3144 11.7041 11.7041 11.7055 11.7055 13.4752 13.4756 k = 0.5000 0.3174 0.0347 ( 9720 PWs) bands (ev): -39.7772 -39.7772 -39.7772 -39.7772 -35.9455 -35.9455 -35.9455 -35.9455 -18.8443 -18.8443 -18.8422 -18.8422 -18.3984 -18.3984 -18.3842 -18.3842 -18.2704 -18.2704 -18.2581 -18.2581 -8.8815 -8.8815 -8.8810 -8.8810 -8.7017 -8.7017 -8.7017 -8.7017 4.4476 4.4476 4.4486 4.4486 4.7048 4.7048 4.7052 4.7052 5.8072 5.8072 5.8076 5.8076 5.9654 5.9654 5.9674 5.9674 6.2644 6.2644 6.2667 6.2667 6.8458 6.8458 6.8466 6.8466 11.3139 11.3139 11.3148 11.3148 11.6913 11.6913 11.6923 11.6923 13.4767 13.4771 k = 0.5000 0.3174 0.0173 ( 9732 PWs) bands (ev): -39.7772 -39.7772 -39.7772 -39.7772 -35.9455 -35.9455 -35.9455 -35.9455 -18.8435 -18.8435 -18.8424 -18.8424 -18.3947 -18.3947 -18.3876 -18.3876 -18.2672 -18.2672 -18.2611 -18.2611 -8.8830 -8.8830 -8.8827 -8.8827 -8.7025 -8.7025 -8.7025 -8.7025 4.4483 4.4483 4.4488 4.4488 4.7062 4.7062 4.7064 4.7064 5.8082 5.8082 5.8083 5.8083 5.9770 5.9770 5.9781 5.9781 6.2566 6.2566 6.2578 6.2578 6.8532 6.8532 6.8536 6.8536 11.3146 11.3146 11.3151 11.3151 11.6836 11.6836 11.6841 11.6841 13.4776 13.4778 k = 0.5000 0.3174-0.0000 ( 9740 PWs) bands (ev): -39.7772 -39.7772 -39.7772 -39.7772 -35.9455 -35.9455 -35.9455 -35.9455 -18.8428 -18.8428 -18.8428 -18.8428 -18.3911 -18.3911 -18.3911 -18.3911 -18.2641 -18.2641 -18.2641 -18.2641 -8.8834 -8.8834 -8.8834 -8.8834 -8.7028 -8.7028 -8.7028 -8.7028 4.4486 4.4486 4.4486 4.4486 4.7067 4.7067 4.7067 4.7067 5.8085 5.8085 5.8085 5.8085 5.9815 5.9815 5.9815 5.9815 6.2543 6.2543 6.2543 6.2543 6.8558 6.8558 6.8558 6.8558 11.3151 11.3151 11.3151 11.3151 11.6811 11.6811 11.6811 11.6811 13.4780 13.4780 k = 0.0000 0.0000 0.9330 ( 9718 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9628 -18.9628 -18.9628 -18.9628 -18.5212 -18.5212 -18.5212 -18.5212 -18.2364 -18.2364 -18.2364 -18.2364 -8.4074 -8.4074 -8.4074 -8.4074 -8.1713 -8.1713 -8.1713 -8.1713 3.5164 3.5164 3.5164 3.5164 4.1505 4.1505 4.1505 4.1505 4.4968 4.4968 4.4968 4.4968 5.5185 5.5185 5.5185 5.5185 5.5272 5.5272 5.5272 5.5272 7.0735 7.0735 7.0735 7.0735 13.0021 13.0021 13.0021 13.0021 13.1473 13.1473 13.1473 13.1473 13.7465 13.7465 k = 0.0147 0.0093 0.9330 ( 9714 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9650 -18.9650 -18.9606 -18.9606 -18.5275 -18.5275 -18.5147 -18.5147 -18.2407 -18.2407 -18.2323 -18.2323 -8.4084 -8.4084 -8.4063 -8.4063 -8.1723 -8.1723 -8.1703 -8.1703 3.5175 3.5175 3.5176 3.5176 4.1487 4.1487 4.1490 4.1490 4.4973 4.4973 4.4979 4.4979 5.4711 5.4711 5.4719 5.4719 5.5742 5.5742 5.5753 5.5753 7.0730 7.0730 7.0731 7.0731 12.9999 12.9999 13.0019 13.0019 13.1460 13.1460 13.1480 13.1480 13.7465 13.7466 k = 0.0294 0.0187 0.9330 ( 9712 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9671 -18.9671 -18.9583 -18.9583 -18.5336 -18.5336 -18.5082 -18.5082 -18.2451 -18.2451 -18.2283 -18.2283 -8.4095 -8.4095 -8.4053 -8.4053 -8.1733 -8.1733 -8.1693 -8.1693 3.5209 3.5209 3.5210 3.5210 4.1437 4.1437 4.1441 4.1441 4.4994 4.4994 4.5005 4.5005 5.4210 5.4210 5.4216 5.4216 5.6259 5.6259 5.6271 5.6271 7.0717 7.0717 7.0718 7.0718 12.9953 12.9953 12.9992 12.9992 13.1445 13.1445 13.1483 13.1483 13.7465 13.7467 k = 0.0441 0.0280 0.9330 ( 9708 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9692 -18.9692 -18.9561 -18.9561 -18.5396 -18.5396 -18.5016 -18.5016 -18.2497 -18.2497 -18.2246 -18.2246 -8.4105 -8.4105 -8.4043 -8.4043 -8.1742 -8.1742 -8.1683 -8.1683 3.5265 3.5265 3.5267 3.5267 4.1354 4.1354 4.1361 4.1361 4.5029 4.5029 4.5046 4.5046 5.3721 5.3721 5.3725 5.3725 5.6774 5.6774 5.6788 5.6788 7.0696 7.0696 7.0696 7.0696 12.9885 12.9885 12.9941 12.9941 13.1426 13.1426 13.1481 13.1481 13.7466 13.7468 k = 0.0588 0.0373 0.9330 ( 9716 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9712 -18.9712 -18.9538 -18.9538 -18.5453 -18.5453 -18.4950 -18.4950 -18.2543 -18.2543 -18.2211 -18.2211 -8.4115 -8.4115 -8.4034 -8.4034 -8.1751 -8.1751 -8.1673 -8.1673 3.5344 3.5344 3.5347 3.5347 4.1241 4.1241 4.1250 4.1250 4.5076 4.5076 4.5099 4.5099 5.3247 5.3247 5.3249 5.3249 5.7284 5.7284 5.7299 5.7299 7.0666 7.0666 7.0667 7.0667 12.9797 12.9797 12.9868 12.9868 13.1405 13.1405 13.1475 13.1475 13.7468 13.7471 k = 0.0735 0.0467 0.9330 ( 9708 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9731 -18.9731 -18.9516 -18.9516 -18.5508 -18.5508 -18.4885 -18.4885 -18.2590 -18.2590 -18.2177 -18.2177 -8.4125 -8.4125 -8.4025 -8.4025 -8.1760 -8.1760 -8.1663 -8.1663 3.5444 3.5444 3.5448 3.5448 4.1101 4.1101 4.1111 4.1111 4.5135 4.5135 4.5162 4.5162 5.2791 5.2791 5.2792 5.2792 5.7784 5.7784 5.7800 5.7800 7.0629 7.0629 7.0630 7.0630 12.9692 12.9692 12.9775 12.9775 13.1383 13.1383 13.1466 13.1466 13.7469 13.7473 k = 0.0882 0.0560 0.9330 ( 9710 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9748 -18.9748 -18.9495 -18.9495 -18.5560 -18.5560 -18.4820 -18.4820 -18.2638 -18.2638 -18.2146 -18.2146 -8.4135 -8.4135 -8.4017 -8.4017 -8.1768 -8.1768 -8.1654 -8.1654 3.5566 3.5566 3.5570 3.5570 4.0936 4.0936 4.0946 4.0946 4.5202 4.5202 4.5234 4.5234 5.2355 5.2355 5.2358 5.2358 5.8269 5.8269 5.8286 5.8286 7.0585 7.0585 7.0586 7.0586 12.9572 12.9572 12.9665 12.9665 13.1361 13.1361 13.1454 13.1454 13.7472 13.7475 k = 0.1029 0.0653 0.9330 ( 9686 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9765 -18.9765 -18.9474 -18.9474 -18.5609 -18.5609 -18.4756 -18.4756 -18.2685 -18.2685 -18.2118 -18.2118 -8.4144 -8.4144 -8.4009 -8.4009 -8.1775 -8.1775 -8.1645 -8.1645 3.5708 3.5708 3.5713 3.5713 4.0747 4.0747 4.0758 4.0758 4.5276 4.5276 4.5312 4.5312 5.1943 5.1943 5.1949 5.1949 5.8735 5.8735 5.8753 5.8753 7.0535 7.0535 7.0536 7.0536 12.9442 12.9442 12.9542 12.9542 13.1339 13.1339 13.1439 13.1439 13.7474 13.7481 k = 0.1176 0.0747 0.9330 ( 9688 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9780 -18.9780 -18.9455 -18.9455 -18.5654 -18.5654 -18.4695 -18.4695 -18.2731 -18.2731 -18.2092 -18.2092 -8.4153 -8.4153 -8.4002 -8.4002 -8.1782 -8.1782 -8.1636 -8.1636 3.5869 3.5869 3.5875 3.5875 4.0539 4.0539 4.0549 4.0549 4.5353 4.5353 4.5394 4.5394 5.1558 5.1558 5.1567 5.1567 5.9179 5.9179 5.9198 5.9198 7.0480 7.0480 7.0481 7.0481 12.9306 12.9306 12.9411 12.9411 13.1318 13.1318 13.1424 13.1424 13.7477 13.7484 k = 0.1324 0.0840 0.9330 ( 9684 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9794 -18.9794 -18.9437 -18.9437 -18.5695 -18.5695 -18.4636 -18.4636 -18.2777 -18.2777 -18.2069 -18.2069 -8.4160 -8.4160 -8.3995 -8.3995 -8.1788 -8.1788 -8.1629 -8.1629 3.6049 3.6049 3.6056 3.6056 4.0312 4.0312 4.0322 4.0322 4.5434 4.5434 4.5479 4.5479 5.1202 5.1202 5.1214 5.1214 5.9594 5.9594 5.9614 5.9614 7.0422 7.0422 7.0423 7.0423 12.9168 12.9168 12.9277 12.9277 13.1297 13.1297 13.1408 13.1408 13.7481 13.7488 k = 0.1471 0.0933 0.9330 ( 9694 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9806 -18.9806 -18.9420 -18.9420 -18.5732 -18.5732 -18.4580 -18.4580 -18.2820 -18.2820 -18.2048 -18.2048 -8.4168 -8.4168 -8.3989 -8.3989 -8.1794 -8.1794 -8.1622 -8.1622 3.6246 3.6246 3.6255 3.6255 4.0070 4.0070 4.0079 4.0079 4.5513 4.5513 4.5563 4.5563 5.0878 5.0878 5.0894 5.0894 5.9977 5.9977 5.9997 5.9997 7.0363 7.0363 7.0363 7.0363 12.9033 12.9033 12.9144 12.9144 13.1279 13.1279 13.1392 13.1392 13.7482 13.7489 k = 0.1618 0.1027 0.9330 ( 9698 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9817 -18.9817 -18.9405 -18.9405 -18.5765 -18.5765 -18.4529 -18.4529 -18.2861 -18.2861 -18.2030 -18.2030 -8.4174 -8.4174 -8.3984 -8.3984 -8.1799 -8.1799 -8.1615 -8.1615 3.6458 3.6458 3.6468 3.6468 3.9816 3.9816 3.9823 3.9823 4.5591 4.5591 4.5644 4.5644 5.0588 5.0588 5.0608 5.0608 6.0322 6.0322 6.0343 6.0343 7.0304 7.0304 7.0304 7.0304 12.8905 12.8905 12.9018 12.9018 13.1262 13.1262 13.1377 13.1377 13.7485 13.7493 k = 0.1765 0.1120 0.9330 ( 9694 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9827 -18.9827 -18.9392 -18.9392 -18.5793 -18.5793 -18.4483 -18.4483 -18.2898 -18.2898 -18.2014 -18.2014 -8.4180 -8.4180 -8.3980 -8.3980 -8.1803 -8.1803 -8.1610 -8.1610 3.6684 3.6684 3.6696 3.6696 3.9553 3.9553 3.9558 3.9558 4.5664 4.5664 4.5721 4.5721 5.0335 5.0335 5.0359 5.0359 6.0625 6.0625 6.0647 6.0647 7.0248 7.0248 7.0248 7.0248 12.8789 12.8789 12.8902 12.8902 13.1247 13.1247 13.1363 13.1363 13.7488 13.7497 k = 0.1912 0.1213 0.9330 ( 9702 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9834 -18.9834 -18.9381 -18.9381 -18.5817 -18.5817 -18.4443 -18.4443 -18.2930 -18.2930 -18.2002 -18.2002 -8.4184 -8.4184 -8.3976 -8.3976 -8.1806 -8.1806 -8.1605 -8.1605 3.6920 3.6920 3.6935 3.6935 3.9285 3.9285 3.9288 3.9288 4.5729 4.5729 4.5789 4.5789 5.0123 5.0123 5.0149 5.0149 6.0880 6.0880 6.0903 6.0903 7.0197 7.0197 7.0197 7.0197 12.8688 12.8688 12.8802 12.8802 13.1234 13.1234 13.1351 13.1351 13.7490 13.7498 k = 0.2059 0.1307 0.9330 ( 9700 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9840 -18.9840 -18.9373 -18.9373 -18.5835 -18.5835 -18.4411 -18.4411 -18.2957 -18.2957 -18.1992 -18.1992 -8.4188 -8.4188 -8.3973 -8.3973 -8.1809 -8.1809 -8.1602 -8.1602 3.7162 3.7162 3.7179 3.7179 3.9017 3.9017 3.9017 3.9017 4.5784 4.5784 4.5847 4.5847 4.9953 4.9953 4.9983 4.9983 6.1085 6.1085 6.1108 6.1108 7.0154 7.0154 7.0154 7.0154 12.8606 12.8606 12.8720 12.8720 13.1224 13.1224 13.1342 13.1342 13.7493 13.7499 k = 0.2206 0.1400 0.9330 ( 9706 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9845 -18.9845 -18.9366 -18.9366 -18.5848 -18.5848 -18.4387 -18.4387 -18.2977 -18.2977 -18.1985 -18.1985 -8.4191 -8.4191 -8.3971 -8.3971 -8.1811 -8.1811 -8.1599 -8.1599 3.7399 3.7399 3.7421 3.7421 3.8756 3.8756 3.8761 3.8761 4.5825 4.5825 4.5891 4.5891 4.9829 4.9829 4.9861 4.9861 6.1234 6.1234 6.1257 6.1257 7.0122 7.0122 7.0122 7.0122 12.8545 12.8545 12.8659 12.8660 13.1217 13.1217 13.1335 13.1335 13.7493 13.7504 k = 0.2353 0.1493 0.9330 ( 9696 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9847 -18.9847 -18.9363 -18.9363 -18.5856 -18.5856 -18.4372 -18.4372 -18.2989 -18.2989 -18.1980 -18.1980 -8.4192 -8.4192 -8.3970 -8.3970 -8.1812 -8.1812 -8.1598 -8.1598 3.7604 3.7604 3.7635 3.7635 3.8530 3.8530 3.8544 3.8544 4.5851 4.5851 4.5919 4.5919 4.9754 4.9754 4.9787 4.9787 6.1324 6.1324 6.1348 6.1348 7.0101 7.0101 7.0102 7.0102 12.8508 12.8508 12.8622 12.8622 13.1213 13.1213 13.1331 13.1331 13.7494 13.7504 k = 0.2500 0.1587 0.9330 ( 9684 PWs) bands (ev): -39.7733 -39.7733 -39.7733 -39.7733 -35.9449 -35.9449 -35.9449 -35.9449 -18.9848 -18.9848 -18.9361 -18.9361 -18.5859 -18.5859 -18.4367 -18.4367 -18.2993 -18.2993 -18.1979 -18.1979 -8.4193 -8.4193 -8.3970 -8.3970 -8.1812 -8.1812 -8.1597 -8.1597 3.7699 3.7699 3.7737 3.7737 3.8424 3.8424 3.8445 3.8445 4.5860 4.5860 4.5928 4.5928 4.9728 4.9728 4.9763 4.9763 6.1355 6.1355 6.1379 6.1379 7.0094 7.0094 7.0095 7.0095 12.8495 12.8495 12.8610 12.8610 13.1211 13.1211 13.1329 13.1329 13.7494 13.7497 Writing output data file LiScO2.save init_run : 0.28s CPU 0.45s WALL ( 1 calls) electrons : 736.10s CPU 743.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 736.09s CPU 743.27s 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 : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.16s WALL ( 353 calls) cegterg : 692.03s CPU 697.96s WALL ( 1176 calls) Called by sum_band: Called by *egterg: h_psi : 455.27s CPU 459.46s WALL ( 21952 calls) s_psi : 15.90s CPU 15.86s WALL ( 21952 calls) g_psi : 1.04s CPU 1.08s WALL ( 20423 calls) cdiaghg : 169.72s CPU 171.99s WALL ( 20776 calls) cegterg:over : 30.49s CPU 30.45s WALL ( 20423 calls) cegterg:upda : 33.60s CPU 33.44s WALL ( 20423 calls) cegterg:last : 11.91s CPU 12.00s WALL ( 2235 calls) cdiaghg:chol : 9.95s CPU 9.94s WALL ( 20776 calls) cdiaghg:inve : 6.57s CPU 6.78s WALL ( 20776 calls) cdiaghg:para : 10.19s CPU 10.36s WALL ( 41552 calls) Called by h_psi: h_psi:vloc : 416.44s CPU 420.14s WALL ( 21952 calls) h_psi:vnl : 37.41s CPU 37.89s WALL ( 21952 calls) add_vuspsi : 17.72s CPU 17.89s WALL ( 21952 calls) General routines calbec : 19.64s CPU 19.94s WALL ( 21952 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 394.24s CPU 397.37s WALL ( 1661968 calls) davcio : 0.39s CPU 0.65s WALL ( 706 calls) Parallel routines fft_scatter : 120.66s CPU 124.34s WALL ( 1661983 calls) PWSCF : 12m50.83s CPU 13m41.37s WALL This run was terminated on: 21: 5:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=