Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:49 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: ./B4C.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 63 33 9 2055 776 119 Max 64 34 10 2056 794 124 Sum 2277 1193 333 73999 28225 4325 bravais-lattice index = 14 lattice parameter (alat) = 9.7783 a.u. unit-cell volume = 740.4309 (a.u.)^3 number of atoms/cell = 15 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.778293 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.414378 celldm(5)= 0.414378 celldm(6)= 0.414378 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.414378 0.910105 0.000000 ) a(3) = ( 0.414378 0.266638 0.870170 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.455307 -0.336687 ) b(2) = ( 0.000000 1.098774 -0.336687 ) b(3) = ( 0.000000 0.000000 1.149201 ) PseudoPot. # 1 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0142857 -0.0065044 -0.0048098), wk = 0.0037736 k( 3) = ( 0.0285714 -0.0130088 -0.0096196), wk = 0.0037736 k( 4) = ( 0.0428571 -0.0195132 -0.0144295), wk = 0.0037736 k( 5) = ( 0.0571429 -0.0260176 -0.0192393), wk = 0.0037736 k( 6) = ( 0.0714286 -0.0325220 -0.0240491), wk = 0.0037736 k( 7) = ( 0.0857143 -0.0390264 -0.0288589), wk = 0.0037736 k( 8) = ( 0.1000000 -0.0455307 -0.0336687), wk = 0.0037736 k( 9) = ( 0.1142857 -0.0520351 -0.0384786), wk = 0.0037736 k( 10) = ( 0.1285714 -0.0585395 -0.0432884), wk = 0.0037736 k( 11) = ( 0.1428571 -0.0650439 -0.0480982), wk = 0.0037736 k( 12) = ( 0.1571429 -0.0715483 -0.0529080), wk = 0.0037736 k( 13) = ( 0.1714286 -0.0780527 -0.0577179), wk = 0.0037736 k( 14) = ( 0.1857143 -0.0845571 -0.0625277), wk = 0.0037736 k( 15) = ( 0.2000000 -0.0910615 -0.0673375), wk = 0.0037736 k( 16) = ( 0.2142857 -0.0975659 -0.0721473), wk = 0.0037736 k( 17) = ( 0.2285714 -0.1040703 -0.0769571), wk = 0.0037736 k( 18) = ( 0.2428571 -0.1105747 -0.0817670), wk = 0.0037736 k( 19) = ( 0.2571429 -0.1170791 -0.0865768), wk = 0.0037736 k( 20) = ( 0.2714286 -0.1235835 -0.0913866), wk = 0.0037736 k( 21) = ( 0.2857143 -0.1300879 -0.0961964), wk = 0.0037736 k( 22) = ( 0.3000000 -0.1365922 -0.1010062), wk = 0.0037736 k( 23) = ( 0.3142857 -0.1430966 -0.1058161), wk = 0.0037736 k( 24) = ( 0.3285714 -0.1496010 -0.1106259), wk = 0.0037736 k( 25) = ( 0.3428571 -0.1561054 -0.1154357), wk = 0.0037736 k( 26) = ( 0.3571429 -0.1626098 -0.1202455), wk = 0.0037736 k( 27) = ( 0.3714286 -0.1691142 -0.1250554), wk = 0.0037736 k( 28) = ( 0.3857143 -0.1756186 -0.1298652), wk = 0.0037736 k( 29) = ( 0.4000000 -0.1821230 -0.1346750), wk = 0.0037736 k( 30) = ( 0.4142857 -0.1886274 -0.1394848), wk = 0.0037736 k( 31) = ( 0.4285714 -0.1951318 -0.1442946), wk = 0.0037736 k( 32) = ( 0.4428571 -0.2016362 -0.1491045), wk = 0.0037736 k( 33) = ( 0.4571429 -0.2081406 -0.1539143), wk = 0.0037736 k( 34) = ( 0.4714286 -0.2146450 -0.1587241), wk = 0.0037736 k( 35) = ( 0.4857143 -0.2211493 -0.1635339), wk = 0.0037736 k( 36) = ( 0.5000000 -0.2276537 -0.1683437), wk = 0.0037736 k( 37) = ( 0.5000000 -0.2276537 -0.1683437), wk = 0.0037736 k( 38) = ( 0.5000000 -0.2179629 -0.1814488), wk = 0.0037736 k( 39) = ( 0.5000000 -0.2082721 -0.1945539), wk = 0.0037736 k( 40) = ( 0.5000000 -0.1985812 -0.2076589), wk = 0.0037736 k( 41) = ( 0.5000000 -0.1888904 -0.2207640), wk = 0.0037736 k( 42) = ( 0.5000000 -0.1791996 -0.2338690), wk = 0.0037736 k( 43) = ( 0.5000000 -0.1695087 -0.2469741), wk = 0.0037736 k( 44) = ( 0.5000000 -0.1598179 -0.2600792), wk = 0.0037736 k( 45) = ( 0.5000000 -0.1501271 -0.2731842), wk = 0.0037736 k( 46) = ( 0.5000000 -0.1404362 -0.2862893), wk = 0.0037736 k( 47) = ( 0.5000000 -0.1307454 -0.2993943), wk = 0.0037736 k( 48) = ( 0.5000000 -0.1210545 -0.3124994), wk = 0.0037736 k( 49) = ( 0.5000000 -0.1113637 -0.3256045), wk = 0.0037736 k( 50) = ( 0.5000000 -0.1016729 -0.3387095), wk = 0.0037736 k( 51) = ( 0.5000000 -0.0919820 -0.3518146), wk = 0.0037736 k( 52) = ( 0.5000000 -0.0822912 -0.3649196), wk = 0.0037736 k( 53) = ( 0.5000000 -0.0726004 -0.3780247), wk = 0.0037736 k( 54) = ( 0.5000000 -0.0629095 -0.3911298), wk = 0.0037736 k( 55) = ( 0.5000000 -0.0532187 -0.4042348), wk = 0.0037736 k( 56) = ( 0.5000000 -0.0435279 -0.4173399), wk = 0.0037736 k( 57) = ( 0.5000000 -0.0338370 -0.4304449), wk = 0.0037736 k( 58) = ( 0.5000000 -0.0241462 -0.4435500), wk = 0.0037736 k( 59) = ( 0.5000000 -0.0144554 -0.4566551), wk = 0.0037736 k( 60) = ( 0.5000000 -0.0047645 -0.4697601), wk = 0.0037736 k( 61) = ( 0.5000000 0.0049263 -0.4828652), wk = 0.0037736 k( 62) = ( 0.5000000 0.0146171 -0.4959702), wk = 0.0037736 k( 63) = ( 0.5000000 0.0243080 -0.5090753), wk = 0.0037736 k( 64) = ( 0.5000000 0.0339988 -0.5221804), wk = 0.0037736 k( 65) = ( 0.5000000 0.0436896 -0.5352854), wk = 0.0037736 k( 66) = ( 0.5000000 0.0533805 -0.5483905), wk = 0.0037736 k( 67) = ( 0.5000000 0.0630713 -0.5614955), wk = 0.0037736 k( 68) = ( 0.5000000 0.0727621 -0.5746006), wk = 0.0037736 k( 69) = ( 0.7265900 0.2185653 -0.0987744), wk = 0.0037736 k( 70) = ( 0.7178750 0.2225333 -0.0858249), wk = 0.0037736 k( 71) = ( 0.7091600 0.2265013 -0.0728754), wk = 0.0037736 k( 72) = ( 0.7004450 0.2304693 -0.0599258), wk = 0.0037736 k( 73) = ( 0.6917300 0.2344373 -0.0469763), wk = 0.0037736 k( 74) = ( 0.6830150 0.2384053 -0.0340268), wk = 0.0037736 k( 75) = ( 0.6743000 0.2423733 -0.0210773), wk = 0.0037736 k( 76) = ( 0.6655850 0.2463413 -0.0081278), wk = 0.0037736 k( 77) = ( 0.6568700 0.2503093 0.0048218), wk = 0.0037736 k( 78) = ( 0.6481550 0.2542773 0.0177713), wk = 0.0037736 k( 79) = ( 0.6394400 0.2582453 0.0307208), wk = 0.0037736 k( 80) = ( 0.6307250 0.2622133 0.0436703), wk = 0.0037736 k( 81) = ( 0.6220100 0.2661813 0.0566198), wk = 0.0037736 k( 82) = ( 0.6132950 0.2701493 0.0695694), wk = 0.0037736 k( 83) = ( 0.6045800 0.2741173 0.0825189), wk = 0.0037736 k( 84) = ( 0.5958650 0.2780854 0.0954684), wk = 0.0037736 k( 85) = ( 0.5871500 0.2820534 0.1084179), wk = 0.0037736 k( 86) = ( 0.5784350 0.2860214 0.1213674), wk = 0.0037736 k( 87) = ( 0.5697200 0.2899894 0.1343169), wk = 0.0037736 k( 88) = ( 0.5610050 0.2939574 0.1472665), wk = 0.0037736 k( 89) = ( 0.5522900 0.2979254 0.1602160), wk = 0.0037736 k( 90) = ( 0.5435750 0.3018934 0.1731655), wk = 0.0037736 k( 91) = ( 0.5348600 0.3058614 0.1861150), wk = 0.0037736 k( 92) = ( 0.5261450 0.3098294 0.1990645), wk = 0.0037736 k( 93) = ( 0.5174300 0.3137974 0.2120141), wk = 0.0037736 k( 94) = ( 0.5087150 0.3177654 0.2249636), wk = 0.0037736 k( 95) = ( 0.5000000 0.3217334 0.2379131), wk = 0.0037736 k( 96) = ( 0.5000000 0.3217334 0.2379131), wk = 0.0037736 k( 97) = ( 0.4871795 0.3134838 0.2318128), wk = 0.0037736 k( 98) = ( 0.4743590 0.3052342 0.2257124), wk = 0.0037736 k( 99) = ( 0.4615385 0.2969847 0.2196121), wk = 0.0037736 k( 100) = ( 0.4487179 0.2887351 0.2135118), wk = 0.0037736 k( 101) = ( 0.4358974 0.2804855 0.2074114), wk = 0.0037736 k( 102) = ( 0.4230769 0.2722359 0.2013111), wk = 0.0037736 k( 103) = ( 0.4102564 0.2639864 0.1952107), wk = 0.0037736 k( 104) = ( 0.3974359 0.2557368 0.1891104), wk = 0.0037736 k( 105) = ( 0.3846154 0.2474872 0.1830101), wk = 0.0037736 k( 106) = ( 0.3717949 0.2392377 0.1769097), wk = 0.0037736 k( 107) = ( 0.3589744 0.2309881 0.1708094), wk = 0.0037736 k( 108) = ( 0.3461538 0.2227385 0.1647091), wk = 0.0037736 k( 109) = ( 0.3333333 0.2144889 0.1586087), wk = 0.0037736 k( 110) = ( 0.3205128 0.2062394 0.1525084), wk = 0.0037736 k( 111) = ( 0.3076923 0.1979898 0.1464081), wk = 0.0037736 k( 112) = ( 0.2948718 0.1897402 0.1403077), wk = 0.0037736 k( 113) = ( 0.2820513 0.1814906 0.1342074), wk = 0.0037736 k( 114) = ( 0.2692308 0.1732411 0.1281071), wk = 0.0037736 k( 115) = ( 0.2564103 0.1649915 0.1220067), wk = 0.0037736 k( 116) = ( 0.2435897 0.1567419 0.1159064), wk = 0.0037736 k( 117) = ( 0.2307692 0.1484923 0.1098060), wk = 0.0037736 k( 118) = ( 0.2179487 0.1402428 0.1037057), wk = 0.0037736 k( 119) = ( 0.2051282 0.1319932 0.0976054), wk = 0.0037736 k( 120) = ( 0.1923077 0.1237436 0.0915050), wk = 0.0037736 k( 121) = ( 0.1794872 0.1154940 0.0854047), wk = 0.0037736 k( 122) = ( 0.1666667 0.1072445 0.0793044), wk = 0.0037736 k( 123) = ( 0.1538461 0.0989949 0.0732040), wk = 0.0037736 k( 124) = ( 0.1410256 0.0907453 0.0671037), wk = 0.0037736 k( 125) = ( 0.1282051 0.0824957 0.0610034), wk = 0.0037736 k( 126) = ( 0.1153846 0.0742462 0.0549030), wk = 0.0037736 k( 127) = ( 0.1025641 0.0659966 0.0488027), wk = 0.0037736 k( 128) = ( 0.0897436 0.0577470 0.0427024), wk = 0.0037736 k( 129) = ( 0.0769231 0.0494974 0.0366020), wk = 0.0037736 k( 130) = ( 0.0641026 0.0412479 0.0305017), wk = 0.0037736 k( 131) = ( 0.0512821 0.0329983 0.0244013), wk = 0.0037736 k( 132) = ( 0.0384615 0.0247487 0.0183010), wk = 0.0037736 k( 133) = ( 0.0256410 0.0164992 0.0122007), wk = 0.0037736 k( 134) = ( 0.0128205 0.0082496 0.0061003), wk = 0.0037736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 137) = ( 0.0087887 -0.0040016 -0.0130591), wk = 0.0037736 k( 138) = ( 0.0175775 -0.0080032 -0.0261182), wk = 0.0037736 k( 139) = ( 0.0263663 -0.0120048 -0.0391773), wk = 0.0037736 k( 140) = ( 0.0351550 -0.0160063 -0.0522364), wk = 0.0037736 k( 141) = ( 0.0439437 -0.0200079 -0.0652955), wk = 0.0037736 k( 142) = ( 0.0527325 -0.0240095 -0.0783546), wk = 0.0037736 k( 143) = ( 0.0615212 -0.0280111 -0.0914137), wk = 0.0037736 k( 144) = ( 0.0703100 -0.0320127 -0.1044728), wk = 0.0037736 k( 145) = ( 0.0790987 -0.0360143 -0.1175319), wk = 0.0037736 k( 146) = ( 0.0878875 -0.0400158 -0.1305910), wk = 0.0037736 k( 147) = ( 0.0966763 -0.0440174 -0.1436501), wk = 0.0037736 k( 148) = ( 0.1054650 -0.0480190 -0.1567092), wk = 0.0037736 k( 149) = ( 0.1142538 -0.0520206 -0.1697684), wk = 0.0037736 k( 150) = ( 0.1230425 -0.0560222 -0.1828275), wk = 0.0037736 k( 151) = ( 0.1318313 -0.0600238 -0.1958866), wk = 0.0037736 k( 152) = ( 0.1406200 -0.0640253 -0.2089457), wk = 0.0037736 k( 153) = ( 0.1494088 -0.0680269 -0.2220048), wk = 0.0037736 k( 154) = ( 0.1581975 -0.0720285 -0.2350639), wk = 0.0037736 k( 155) = ( 0.1669863 -0.0760301 -0.2481230), wk = 0.0037736 k( 156) = ( 0.1757750 -0.0800317 -0.2611821), wk = 0.0037736 k( 157) = ( 0.1845637 -0.0840333 -0.2742412), wk = 0.0037736 k( 158) = ( 0.1933525 -0.0880348 -0.2873003), wk = 0.0037736 k( 159) = ( 0.2021412 -0.0920364 -0.3003594), wk = 0.0037736 k( 160) = ( 0.2109300 -0.0960380 -0.3134185), wk = 0.0037736 k( 161) = ( 0.2197187 -0.1000396 -0.3264776), wk = 0.0037736 k( 162) = ( 0.2285075 -0.1040412 -0.3395367), wk = 0.0037736 k( 163) = ( 0.2372962 -0.1080428 -0.3525958), wk = 0.0037736 k( 164) = ( 0.2460850 -0.1120443 -0.3656549), wk = 0.0037736 k( 165) = ( 0.2548738 -0.1160459 -0.3787140), wk = 0.0037736 k( 166) = ( 0.2636625 -0.1200475 -0.3917731), wk = 0.0037736 k( 167) = ( 0.2724513 -0.1240491 -0.4048322), wk = 0.0037736 k( 168) = ( 0.2812400 -0.1280507 -0.4178913), wk = 0.0037736 k( 169) = ( 0.2900288 -0.1320523 -0.4309505), wk = 0.0037736 k( 170) = ( 0.2988175 -0.1360538 -0.4440096), wk = 0.0037736 k( 171) = ( 0.3076063 -0.1400554 -0.4570687), wk = 0.0037736 k( 172) = ( 0.3163950 -0.1440570 -0.4701278), wk = 0.0037736 k( 173) = ( 0.3251838 -0.1480586 -0.4831869), wk = 0.0037736 k( 174) = ( 0.3339725 -0.1520602 -0.4962460), wk = 0.0037736 k( 175) = ( 0.3427613 -0.1560618 -0.5093051), wk = 0.0037736 k( 176) = ( 0.3515500 -0.1600633 -0.5223642), wk = 0.0037736 k( 177) = ( 0.3603388 -0.1640649 -0.5354233), wk = 0.0037736 k( 178) = ( 0.3691275 -0.1680665 -0.5484824), wk = 0.0037736 k( 179) = ( 0.3779163 -0.1720681 -0.5615415), wk = 0.0037736 k( 180) = ( 0.3867050 -0.1760697 -0.5746006), wk = 0.0037736 k( 181) = ( 0.6132950 0.1456637 -0.3366875), wk = 0.0037736 k( 182) = ( 0.6045800 0.1592075 -0.3366875), wk = 0.0037736 k( 183) = ( 0.5958650 0.1727514 -0.3366875), wk = 0.0037736 k( 184) = ( 0.5871500 0.1862952 -0.3366875), wk = 0.0037736 k( 185) = ( 0.5784350 0.1998390 -0.3366875), wk = 0.0037736 k( 186) = ( 0.5697200 0.2133828 -0.3366875), wk = 0.0037736 k( 187) = ( 0.5610050 0.2269266 -0.3366875), wk = 0.0037736 k( 188) = ( 0.5522900 0.2404705 -0.3366875), wk = 0.0037736 k( 189) = ( 0.5435750 0.2540143 -0.3366875), wk = 0.0037736 k( 190) = ( 0.5348600 0.2675581 -0.3366875), wk = 0.0037736 k( 191) = ( 0.5261450 0.2811019 -0.3366875), wk = 0.0037736 k( 192) = ( 0.5174300 0.2946458 -0.3366875), wk = 0.0037736 k( 193) = ( 0.5087150 0.3081896 -0.3366875), wk = 0.0037736 k( 194) = ( 0.5000000 0.3217334 -0.3366875), wk = 0.0037736 k( 195) = ( 0.5000000 0.3217334 -0.3366875), wk = 0.0037736 k( 196) = ( 0.5066644 0.3260217 -0.3226926), wk = 0.0037736 k( 197) = ( 0.5133288 0.3303101 -0.3086977), wk = 0.0037736 k( 198) = ( 0.5199932 0.3345984 -0.2947028), wk = 0.0037736 k( 199) = ( 0.5266576 0.3388867 -0.2807079), wk = 0.0037736 k( 200) = ( 0.5333221 0.3431750 -0.2667131), wk = 0.0037736 k( 201) = ( 0.5399865 0.3474634 -0.2527182), wk = 0.0037736 k( 202) = ( 0.5466509 0.3517517 -0.2387233), wk = 0.0037736 k( 203) = ( 0.5533153 0.3560400 -0.2247284), wk = 0.0037736 k( 204) = ( 0.5599797 0.3603283 -0.2107335), wk = 0.0037736 k( 205) = ( 0.5666441 0.3646167 -0.1967386), wk = 0.0037736 k( 206) = ( 0.5733085 0.3689050 -0.1827437), wk = 0.0037736 k( 207) = ( 0.5799729 0.3731933 -0.1687488), wk = 0.0037736 k( 208) = ( 0.5866373 0.3774817 -0.1547539), wk = 0.0037736 k( 209) = ( 0.5933018 0.3817700 -0.1407591), wk = 0.0037736 k( 210) = ( 0.5999662 0.3860583 -0.1267642), wk = 0.0037736 k( 211) = ( 0.6066306 0.3903466 -0.1127693), wk = 0.0037736 k( 212) = ( 0.6132950 0.3946350 -0.0987744), wk = 0.0037736 k( 213) = ( 0.6132950 0.3946350 -0.0987744), wk = 0.0037736 k( 214) = ( 0.6083691 0.3914653 -0.0841358), wk = 0.0037736 k( 215) = ( 0.6034432 0.3882957 -0.0694972), wk = 0.0037736 k( 216) = ( 0.5985174 0.3851261 -0.0548586), wk = 0.0037736 k( 217) = ( 0.5935915 0.3819564 -0.0402201), wk = 0.0037736 k( 218) = ( 0.5886657 0.3787868 -0.0255815), wk = 0.0037736 k( 219) = ( 0.5837398 0.3756172 -0.0109429), wk = 0.0037736 k( 220) = ( 0.5788139 0.3724475 0.0036957), wk = 0.0037736 k( 221) = ( 0.5738880 0.3692779 0.0183343), wk = 0.0037736 k( 222) = ( 0.5689622 0.3661083 0.0329729), wk = 0.0037736 k( 223) = ( 0.5640363 0.3629386 0.0476115), wk = 0.0037736 k( 224) = ( 0.5591104 0.3597690 0.0622501), wk = 0.0037736 k( 225) = ( 0.5541846 0.3565994 0.0768886), wk = 0.0037736 k( 226) = ( 0.5492587 0.3534297 0.0915272), wk = 0.0037736 k( 227) = ( 0.5443328 0.3502601 0.1061658), wk = 0.0037736 k( 228) = ( 0.5394070 0.3470905 0.1208044), wk = 0.0037736 k( 229) = ( 0.5344811 0.3439208 0.1354430), wk = 0.0037736 k( 230) = ( 0.5295552 0.3407512 0.1500816), wk = 0.0037736 k( 231) = ( 0.5246293 0.3375816 0.1647202), wk = 0.0037736 k( 232) = ( 0.5197035 0.3344119 0.1793588), wk = 0.0037736 k( 233) = ( 0.5147776 0.3312423 0.1939973), wk = 0.0037736 k( 234) = ( 0.5098517 0.3280727 0.2086359), wk = 0.0037736 k( 235) = ( 0.5049259 0.3249030 0.2232745), wk = 0.0037736 k( 236) = ( 0.5000000 0.3217334 0.2379131), wk = 0.0037736 k( 237) = ( 0.5000000 -0.2276537 -0.1683437), wk = 0.0037736 k( 238) = ( 0.5080925 -0.2161633 -0.1598469), wk = 0.0037736 k( 239) = ( 0.5161850 -0.2046728 -0.1513500), wk = 0.0037736 k( 240) = ( 0.5242775 -0.1931823 -0.1428531), wk = 0.0037736 k( 241) = ( 0.5323700 -0.1816918 -0.1343562), wk = 0.0037736 k( 242) = ( 0.5404625 -0.1702013 -0.1258593), wk = 0.0037736 k( 243) = ( 0.5485550 -0.1587109 -0.1173624), wk = 0.0037736 k( 244) = ( 0.5566475 -0.1472204 -0.1088655), wk = 0.0037736 k( 245) = ( 0.5647400 -0.1357299 -0.1003686), wk = 0.0037736 k( 246) = ( 0.5728325 -0.1242394 -0.0918717), wk = 0.0037736 k( 247) = ( 0.5809250 -0.1127490 -0.0833748), wk = 0.0037736 k( 248) = ( 0.5890175 -0.1012585 -0.0748779), wk = 0.0037736 k( 249) = ( 0.5971100 -0.0897680 -0.0663810), wk = 0.0037736 k( 250) = ( 0.6052025 -0.0782775 -0.0578841), wk = 0.0037736 k( 251) = ( 0.6132950 -0.0667870 -0.0493872), wk = 0.0037736 k( 252) = ( 0.6213875 -0.0552966 -0.0408903), wk = 0.0037736 k( 253) = ( 0.6294800 -0.0438061 -0.0323934), wk = 0.0037736 k( 254) = ( 0.6375725 -0.0323156 -0.0238965), wk = 0.0037736 k( 255) = ( 0.6456650 -0.0208251 -0.0153996), wk = 0.0037736 k( 256) = ( 0.6537575 -0.0093346 -0.0069027), wk = 0.0037736 k( 257) = ( 0.6618500 0.0021558 0.0015942), wk = 0.0037736 k( 258) = ( 0.6699425 0.0136463 0.0100911), wk = 0.0037736 k( 259) = ( 0.6780350 0.0251368 0.0185880), wk = 0.0037736 k( 260) = ( 0.6861275 0.0366273 0.0270849), wk = 0.0037736 k( 261) = ( 0.6942200 0.0481177 0.0355818), wk = 0.0037736 k( 262) = ( 0.7023125 0.0596082 0.0440787), wk = 0.0037736 k( 263) = ( 0.7104050 0.0710987 0.0525756), wk = 0.0037736 k( 264) = ( 0.7184975 0.0825892 0.0610724), wk = 0.0037736 k( 265) = ( 0.7265900 0.0940797 0.0695694), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0142857 -0.0000000 0.0000000), wk = 0.0037736 k( 3) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0428571 0.0000000 -0.0000000), wk = 0.0037736 k( 5) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 7) = ( 0.0857143 0.0000000 -0.0000000), wk = 0.0037736 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0037736 k( 9) = ( 0.1142857 -0.0000000 0.0000000), wk = 0.0037736 k( 10) = ( 0.1285714 0.0000000 -0.0000000), wk = 0.0037736 k( 11) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0037736 k( 12) = ( 0.1571429 -0.0000000 -0.0000000), wk = 0.0037736 k( 13) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 14) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0037736 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0037736 k( 16) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0037736 k( 17) = ( 0.2285714 -0.0000000 0.0000000), wk = 0.0037736 k( 18) = ( 0.2428571 -0.0000000 0.0000000), wk = 0.0037736 k( 19) = ( 0.2571429 0.0000000 -0.0000000), wk = 0.0037736 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 21) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0037736 k( 22) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0037736 k( 23) = ( 0.3142857 -0.0000000 -0.0000000), wk = 0.0037736 k( 24) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0037736 k( 25) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0037736 k( 26) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0037736 k( 27) = ( 0.3714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0037736 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0037736 k( 30) = ( 0.4142857 0.0000000 -0.0000000), wk = 0.0037736 k( 31) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0037736 k( 32) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0037736 k( 33) = ( 0.4571429 -0.0000000 0.0000000), wk = 0.0037736 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 35) = ( 0.4857143 -0.0000000 0.0000000), wk = 0.0037736 k( 36) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 37) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 38) = ( 0.5000000 0.0088197 -0.0088197), wk = 0.0037736 k( 39) = ( 0.5000000 0.0176394 -0.0176394), wk = 0.0037736 k( 40) = ( 0.5000000 0.0264590 -0.0264590), wk = 0.0037736 k( 41) = ( 0.5000000 0.0352787 -0.0352787), wk = 0.0037736 k( 42) = ( 0.5000000 0.0440984 -0.0440984), wk = 0.0037736 k( 43) = ( 0.5000000 0.0529181 -0.0529181), wk = 0.0037736 k( 44) = ( 0.5000000 0.0617377 -0.0617378), wk = 0.0037736 k( 45) = ( 0.5000000 0.0705574 -0.0705574), wk = 0.0037736 k( 46) = ( 0.5000000 0.0793771 -0.0793771), wk = 0.0037736 k( 47) = ( 0.5000000 0.0881968 -0.0881968), wk = 0.0037736 k( 48) = ( 0.5000000 0.0970165 -0.0970165), wk = 0.0037736 k( 49) = ( 0.5000000 0.1058361 -0.1058361), wk = 0.0037736 k( 50) = ( 0.5000000 0.1146558 -0.1146558), wk = 0.0037736 k( 51) = ( 0.5000000 0.1234755 -0.1234755), wk = 0.0037736 k( 52) = ( 0.5000000 0.1322952 -0.1322952), wk = 0.0037736 k( 53) = ( 0.5000000 0.1411148 -0.1411149), wk = 0.0037736 k( 54) = ( 0.5000000 0.1499345 -0.1499345), wk = 0.0037736 k( 55) = ( 0.5000000 0.1587542 -0.1587542), wk = 0.0037736 k( 56) = ( 0.5000000 0.1675739 -0.1675739), wk = 0.0037736 k( 57) = ( 0.5000000 0.1763936 -0.1763936), wk = 0.0037736 k( 58) = ( 0.5000000 0.1852132 -0.1852132), wk = 0.0037736 k( 59) = ( 0.5000000 0.1940329 -0.1940329), wk = 0.0037736 k( 60) = ( 0.5000000 0.2028526 -0.2028526), wk = 0.0037736 k( 61) = ( 0.5000000 0.2116723 -0.2116723), wk = 0.0037736 k( 62) = ( 0.5000000 0.2204919 -0.2204919), wk = 0.0037736 k( 63) = ( 0.5000000 0.2293116 -0.2293116), wk = 0.0037736 k( 64) = ( 0.5000000 0.2381313 -0.2381313), wk = 0.0037736 k( 65) = ( 0.5000000 0.2469510 -0.2469510), wk = 0.0037736 k( 66) = ( 0.5000000 0.2557707 -0.2557707), wk = 0.0037736 k( 67) = ( 0.5000000 0.2645903 -0.2645903), wk = 0.0037736 k( 68) = ( 0.5000000 0.2734100 -0.2734100), wk = 0.0037736 k( 69) = ( 0.7265900 0.5000000 0.2734100), wk = 0.0037736 k( 70) = ( 0.7178750 0.5000000 0.2821250), wk = 0.0037736 k( 71) = ( 0.7091600 0.5000000 0.2908400), wk = 0.0037736 k( 72) = ( 0.7004450 0.5000000 0.2995550), wk = 0.0037736 k( 73) = ( 0.6917300 0.5000000 0.3082700), wk = 0.0037736 k( 74) = ( 0.6830150 0.5000000 0.3169850), wk = 0.0037736 k( 75) = ( 0.6743000 0.5000000 0.3257000), wk = 0.0037736 k( 76) = ( 0.6655850 0.5000000 0.3344150), wk = 0.0037736 k( 77) = ( 0.6568700 0.5000000 0.3431300), wk = 0.0037736 k( 78) = ( 0.6481550 0.5000000 0.3518450), wk = 0.0037736 k( 79) = ( 0.6394400 0.5000000 0.3605600), wk = 0.0037736 k( 80) = ( 0.6307250 0.5000000 0.3692750), wk = 0.0037736 k( 81) = ( 0.6220100 0.5000000 0.3779900), wk = 0.0037736 k( 82) = ( 0.6132950 0.5000000 0.3867050), wk = 0.0037736 k( 83) = ( 0.6045800 0.5000000 0.3954200), wk = 0.0037736 k( 84) = ( 0.5958650 0.5000000 0.4041350), wk = 0.0037736 k( 85) = ( 0.5871500 0.5000000 0.4128500), wk = 0.0037736 k( 86) = ( 0.5784350 0.5000000 0.4215650), wk = 0.0037736 k( 87) = ( 0.5697200 0.5000000 0.4302800), wk = 0.0037736 k( 88) = ( 0.5610050 0.5000000 0.4389950), wk = 0.0037736 k( 89) = ( 0.5522900 0.5000000 0.4477100), wk = 0.0037736 k( 90) = ( 0.5435750 0.5000000 0.4564250), wk = 0.0037736 k( 91) = ( 0.5348600 0.5000000 0.4651400), wk = 0.0037736 k( 92) = ( 0.5261450 0.5000000 0.4738550), wk = 0.0037736 k( 93) = ( 0.5174300 0.5000000 0.4825700), wk = 0.0037736 k( 94) = ( 0.5087150 0.5000000 0.4912850), wk = 0.0037736 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 97) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0037736 k( 98) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0037736 k( 99) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0037736 k( 100) = ( 0.4487179 0.4487179 0.4487180), wk = 0.0037736 k( 101) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0037736 k( 102) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0037736 k( 103) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0037736 k( 104) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0037736 k( 105) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0037736 k( 106) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0037736 k( 107) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0037736 k( 108) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0037736 k( 109) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037736 k( 110) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0037736 k( 111) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0037736 k( 112) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0037736 k( 113) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0037736 k( 114) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0037736 k( 115) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0037736 k( 116) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0037736 k( 117) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0037736 k( 118) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0037736 k( 119) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0037736 k( 120) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0037736 k( 121) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0037736 k( 122) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037736 k( 123) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0037736 k( 124) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0037736 k( 125) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0037736 k( 126) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0037736 k( 127) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0037736 k( 128) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0037736 k( 129) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0037736 k( 130) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0037736 k( 131) = ( 0.0512821 0.0512821 0.0512821), wk = 0.0037736 k( 132) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0037736 k( 133) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0037736 k( 134) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0037736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 137) = ( 0.0087887 0.0000000 -0.0087888), wk = 0.0037736 k( 138) = ( 0.0175775 0.0000000 -0.0175775), wk = 0.0037736 k( 139) = ( 0.0263663 0.0000000 -0.0263663), wk = 0.0037736 k( 140) = ( 0.0351550 0.0000000 -0.0351550), wk = 0.0037736 k( 141) = ( 0.0439437 -0.0000000 -0.0439438), wk = 0.0037736 k( 142) = ( 0.0527325 0.0000000 -0.0527325), wk = 0.0037736 k( 143) = ( 0.0615212 -0.0000000 -0.0615212), wk = 0.0037736 k( 144) = ( 0.0703100 0.0000000 -0.0703100), wk = 0.0037736 k( 145) = ( 0.0790987 0.0000000 -0.0790988), wk = 0.0037736 k( 146) = ( 0.0878875 -0.0000000 -0.0878875), wk = 0.0037736 k( 147) = ( 0.0966763 -0.0000000 -0.0966763), wk = 0.0037736 k( 148) = ( 0.1054650 0.0000000 -0.1054650), wk = 0.0037736 k( 149) = ( 0.1142538 0.0000000 -0.1142538), wk = 0.0037736 k( 150) = ( 0.1230425 -0.0000000 -0.1230425), wk = 0.0037736 k( 151) = ( 0.1318313 -0.0000000 -0.1318313), wk = 0.0037736 k( 152) = ( 0.1406200 0.0000000 -0.1406200), wk = 0.0037736 k( 153) = ( 0.1494088 -0.0000000 -0.1494088), wk = 0.0037736 k( 154) = ( 0.1581975 0.0000000 -0.1581975), wk = 0.0037736 k( 155) = ( 0.1669863 -0.0000000 -0.1669863), wk = 0.0037736 k( 156) = ( 0.1757750 -0.0000000 -0.1757750), wk = 0.0037736 k( 157) = ( 0.1845637 0.0000000 -0.1845637), wk = 0.0037736 k( 158) = ( 0.1933525 -0.0000000 -0.1933525), wk = 0.0037736 k( 159) = ( 0.2021412 -0.0000000 -0.2021412), wk = 0.0037736 k( 160) = ( 0.2109300 0.0000000 -0.2109300), wk = 0.0037736 k( 161) = ( 0.2197187 -0.0000000 -0.2197187), wk = 0.0037736 k( 162) = ( 0.2285075 0.0000000 -0.2285075), wk = 0.0037736 k( 163) = ( 0.2372962 0.0000000 -0.2372963), wk = 0.0037736 k( 164) = ( 0.2460850 -0.0000000 -0.2460850), wk = 0.0037736 k( 165) = ( 0.2548738 0.0000000 -0.2548738), wk = 0.0037736 k( 166) = ( 0.2636625 -0.0000000 -0.2636625), wk = 0.0037736 k( 167) = ( 0.2724513 -0.0000000 -0.2724513), wk = 0.0037736 k( 168) = ( 0.2812400 -0.0000000 -0.2812400), wk = 0.0037736 k( 169) = ( 0.2900288 -0.0000000 -0.2900288), wk = 0.0037736 k( 170) = ( 0.2988175 0.0000000 -0.2988175), wk = 0.0037736 k( 171) = ( 0.3076063 -0.0000000 -0.3076063), wk = 0.0037736 k( 172) = ( 0.3163950 0.0000000 -0.3163950), wk = 0.0037736 k( 173) = ( 0.3251838 0.0000000 -0.3251838), wk = 0.0037736 k( 174) = ( 0.3339725 -0.0000000 -0.3339725), wk = 0.0037736 k( 175) = ( 0.3427613 -0.0000000 -0.3427613), wk = 0.0037736 k( 176) = ( 0.3515500 0.0000000 -0.3515500), wk = 0.0037736 k( 177) = ( 0.3603388 -0.0000000 -0.3603388), wk = 0.0037736 k( 178) = ( 0.3691275 0.0000000 -0.3691275), wk = 0.0037736 k( 179) = ( 0.3779163 0.0000000 -0.3779163), wk = 0.0037736 k( 180) = ( 0.3867050 -0.0000000 -0.3867050), wk = 0.0037736 k( 181) = ( 0.6132950 0.3867050 -0.0000000), wk = 0.0037736 k( 182) = ( 0.6045800 0.3954200 0.0000000), wk = 0.0037736 k( 183) = ( 0.5958650 0.4041350 -0.0000000), wk = 0.0037736 k( 184) = ( 0.5871500 0.4128500 -0.0000000), wk = 0.0037736 k( 185) = ( 0.5784350 0.4215650 0.0000000), wk = 0.0037736 k( 186) = ( 0.5697200 0.4302800 -0.0000000), wk = 0.0037736 k( 187) = ( 0.5610050 0.4389950 -0.0000000), wk = 0.0037736 k( 188) = ( 0.5522900 0.4477100 0.0000000), wk = 0.0037736 k( 189) = ( 0.5435750 0.4564250 -0.0000000), wk = 0.0037736 k( 190) = ( 0.5348600 0.4651400 -0.0000000), wk = 0.0037736 k( 191) = ( 0.5261450 0.4738550 0.0000000), wk = 0.0037736 k( 192) = ( 0.5174300 0.4825700 -0.0000000), wk = 0.0037736 k( 193) = ( 0.5087150 0.4912850 -0.0000000), wk = 0.0037736 k( 194) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 195) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 196) = ( 0.5066644 0.5066644 0.0160829), wk = 0.0037736 k( 197) = ( 0.5133288 0.5133288 0.0321659), wk = 0.0037736 k( 198) = ( 0.5199932 0.5199932 0.0482488), wk = 0.0037736 k( 199) = ( 0.5266576 0.5266576 0.0643318), wk = 0.0037736 k( 200) = ( 0.5333221 0.5333221 0.0804147), wk = 0.0037736 k( 201) = ( 0.5399865 0.5399865 0.0964977), wk = 0.0037736 k( 202) = ( 0.5466509 0.5466509 0.1125806), wk = 0.0037736 k( 203) = ( 0.5533153 0.5533153 0.1286635), wk = 0.0037736 k( 204) = ( 0.5599797 0.5599797 0.1447465), wk = 0.0037736 k( 205) = ( 0.5666441 0.5666441 0.1608294), wk = 0.0037736 k( 206) = ( 0.5733085 0.5733085 0.1769124), wk = 0.0037736 k( 207) = ( 0.5799729 0.5799729 0.1929953), wk = 0.0037736 k( 208) = ( 0.5866373 0.5866373 0.2090782), wk = 0.0037736 k( 209) = ( 0.5933018 0.5933018 0.2251612), wk = 0.0037736 k( 210) = ( 0.5999662 0.5999662 0.2412441), wk = 0.0037736 k( 211) = ( 0.6066306 0.6066306 0.2573271), wk = 0.0037736 k( 212) = ( 0.6132950 0.6132950 0.2734100), wk = 0.0037736 k( 213) = ( 0.6132950 0.6132950 0.2734100), wk = 0.0037736 k( 214) = ( 0.6083691 0.6083691 0.2832617), wk = 0.0037736 k( 215) = ( 0.6034432 0.6034432 0.2931135), wk = 0.0037736 k( 216) = ( 0.5985174 0.5985174 0.3029652), wk = 0.0037736 k( 217) = ( 0.5935915 0.5935915 0.3128170), wk = 0.0037736 k( 218) = ( 0.5886657 0.5886657 0.3226687), wk = 0.0037736 k( 219) = ( 0.5837398 0.5837398 0.3325204), wk = 0.0037736 k( 220) = ( 0.5788139 0.5788139 0.3423722), wk = 0.0037736 k( 221) = ( 0.5738880 0.5738880 0.3522239), wk = 0.0037736 k( 222) = ( 0.5689622 0.5689622 0.3620757), wk = 0.0037736 k( 223) = ( 0.5640363 0.5640363 0.3719274), wk = 0.0037736 k( 224) = ( 0.5591104 0.5591104 0.3817791), wk = 0.0037736 k( 225) = ( 0.5541846 0.5541846 0.3916309), wk = 0.0037736 k( 226) = ( 0.5492587 0.5492587 0.4014826), wk = 0.0037736 k( 227) = ( 0.5443328 0.5443328 0.4113344), wk = 0.0037736 k( 228) = ( 0.5394070 0.5394070 0.4211861), wk = 0.0037736 k( 229) = ( 0.5344811 0.5344811 0.4310378), wk = 0.0037736 k( 230) = ( 0.5295552 0.5295552 0.4408896), wk = 0.0037736 k( 231) = ( 0.5246293 0.5246293 0.4507413), wk = 0.0037736 k( 232) = ( 0.5197035 0.5197035 0.4605931), wk = 0.0037736 k( 233) = ( 0.5147776 0.5147776 0.4704448), wk = 0.0037736 k( 234) = ( 0.5098517 0.5098517 0.4802965), wk = 0.0037736 k( 235) = ( 0.5049259 0.5049259 0.4901483), wk = 0.0037736 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 237) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 238) = ( 0.5080925 0.0138109 0.0138109), wk = 0.0037736 k( 239) = ( 0.5161850 0.0276218 0.0276218), wk = 0.0037736 k( 240) = ( 0.5242775 0.0414327 0.0414327), wk = 0.0037736 k( 241) = ( 0.5323700 0.0552436 0.0552436), wk = 0.0037736 k( 242) = ( 0.5404625 0.0690545 0.0690545), wk = 0.0037736 k( 243) = ( 0.5485550 0.0828654 0.0828654), wk = 0.0037736 k( 244) = ( 0.5566475 0.0966763 0.0966763), wk = 0.0037736 k( 245) = ( 0.5647400 0.1104871 0.1104871), wk = 0.0037736 k( 246) = ( 0.5728325 0.1242980 0.1242980), wk = 0.0037736 k( 247) = ( 0.5809250 0.1381089 0.1381089), wk = 0.0037736 k( 248) = ( 0.5890175 0.1519198 0.1519198), wk = 0.0037736 k( 249) = ( 0.5971100 0.1657307 0.1657307), wk = 0.0037736 k( 250) = ( 0.6052025 0.1795416 0.1795416), wk = 0.0037736 k( 251) = ( 0.6132950 0.1933525 0.1933525), wk = 0.0037736 k( 252) = ( 0.6213875 0.2071634 0.2071634), wk = 0.0037736 k( 253) = ( 0.6294800 0.2209743 0.2209743), wk = 0.0037736 k( 254) = ( 0.6375725 0.2347852 0.2347852), wk = 0.0037736 k( 255) = ( 0.6456650 0.2485961 0.2485961), wk = 0.0037736 k( 256) = ( 0.6537575 0.2624070 0.2624070), wk = 0.0037736 k( 257) = ( 0.6618500 0.2762179 0.2762179), wk = 0.0037736 k( 258) = ( 0.6699425 0.2900288 0.2900288), wk = 0.0037736 k( 259) = ( 0.6780350 0.3038397 0.3038397), wk = 0.0037736 k( 260) = ( 0.6861275 0.3176505 0.3176505), wk = 0.0037736 k( 261) = ( 0.6942200 0.3314614 0.3314614), wk = 0.0037736 k( 262) = ( 0.7023125 0.3452723 0.3452723), wk = 0.0037736 k( 263) = ( 0.7104050 0.3590832 0.3590832), wk = 0.0037736 k( 264) = ( 0.7184975 0.3728941 0.3728941), wk = 0.0037736 k( 265) = ( 0.7265900 0.3867050 0.3867050), wk = 0.0037736 Dense grid: 73999 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 28225 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 212, 58) NL pseudopotentials 0.34 Mb ( 106, 210) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2056) G-vector shells 0.01 Mb ( 1626) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 212, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.37 Mb ( 210, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./B4C.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.6 secs Computing kpt #: 12 total cpu time spent up to now is 7.0 secs Computing kpt 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is 40.8 secs Computing kpt #: 76 total cpu time spent up to now is 41.3 secs Computing kpt #: 77 total cpu time spent up to now is 41.8 secs Computing kpt #: 78 total cpu time spent up to now is 42.2 secs Computing kpt #: 79 total cpu time spent up to now is 42.7 secs Computing kpt #: 80 total cpu time spent up to now is 43.2 secs Computing kpt #: 81 total cpu time spent up to now is 43.7 secs Computing kpt #: 82 total cpu time spent up to now is 44.2 secs Computing kpt #: 83 total cpu time spent up to now is 44.8 secs Computing kpt #: 84 total cpu time spent up to now is 45.4 secs Computing kpt #: 85 total cpu time spent up to now is 46.1 secs Computing kpt #: 86 total cpu time spent up to now is 46.7 secs Computing kpt #: 87 total cpu time spent up to now is 47.3 secs Computing kpt #: 88 total cpu time spent up to now is 47.9 secs Computing kpt #: 89 total cpu time spent up to now is 48.5 secs Computing kpt #: 90 total cpu time spent up to now is 49.2 secs Computing kpt #: 91 total cpu time spent up to now is 49.8 secs Computing kpt #: 92 total cpu time spent up to now is 50.4 secs Computing kpt #: 93 total cpu time spent up to now is 51.0 secs Computing kpt #: 94 total cpu time spent up to now is 51.6 secs Computing kpt #: 95 total cpu time spent up to now is 52.2 secs Computing kpt #: 96 total cpu time spent up to now is 52.8 secs Computing kpt #: 97 total cpu time spent up to now is 53.4 secs Computing kpt #: 98 total cpu time spent up to now is 54.0 secs Computing kpt #: 99 total cpu time spent up to now is 54.6 secs Computing kpt #: 100 total cpu time spent up to now is 55.2 secs Computing kpt #: 101 total cpu time spent up to now is 55.8 secs Computing kpt #: 102 total cpu time spent up to now is 56.4 secs Computing kpt #: 103 total cpu time spent up to now is 57.0 secs Computing kpt #: 104 total cpu time spent up to now is 57.6 secs Computing kpt #: 105 total cpu time spent up to now is 58.2 secs Computing kpt #: 106 total cpu time spent up to now is 58.8 secs Computing kpt #: 107 total cpu time spent up to now is 59.4 secs Computing kpt #: 108 total cpu time spent up to now is 60.0 secs Computing kpt #: 109 total cpu time spent up to now is 60.6 secs Computing kpt #: 110 total cpu time spent up to now is 61.2 secs Computing kpt #: 111 total cpu time spent up to now is 61.8 secs Computing kpt #: 112 total cpu time spent up to now is 62.3 secs Computing kpt #: 113 total cpu time spent up to now is 62.8 secs Computing kpt #: 114 total cpu time spent up to now is 63.2 secs Computing kpt #: 115 total cpu time spent up to now is 63.7 secs Computing kpt #: 116 total cpu time spent up to now is 64.2 secs Computing kpt #: 117 total cpu time spent up to now is 64.7 secs Computing kpt #: 118 total cpu time spent up to now is 65.2 secs Computing kpt #: 119 total cpu time spent up to now is 65.7 secs Computing kpt #: 120 total cpu time spent up to now is 66.2 secs Computing kpt #: 121 total cpu time spent up to now is 66.7 secs Computing kpt #: 122 total cpu time spent up to now is 67.2 secs Computing kpt #: 123 total cpu time spent up to now is 67.7 secs Computing kpt #: 124 total cpu time spent up to now is 68.2 secs Computing kpt #: 125 total cpu time spent up to now is 68.6 secs Computing kpt #: 126 total cpu time spent up to now is 69.1 secs Computing kpt #: 127 total cpu time spent up to now is 69.6 secs Computing kpt #: 128 total cpu time spent up to now is 70.1 secs Computing kpt #: 129 total cpu time spent up to now is 70.5 secs Computing kpt #: 130 total cpu time spent up to now is 71.0 secs Computing kpt #: 131 total cpu time spent up to now is 71.4 secs Computing kpt #: 132 total cpu time spent up to now is 71.9 secs Computing kpt #: 133 total cpu time spent up to now is 72.3 secs Computing kpt #: 134 total cpu time spent up to now is 72.8 secs Computing kpt #: 135 total cpu time spent up to now is 73.2 secs Computing kpt #: 136 total cpu time spent up to now is 73.6 secs Computing kpt #: 137 total cpu time spent up to now is 74.1 secs Computing kpt #: 138 total cpu time spent up to now is 74.5 secs Computing kpt #: 139 total cpu time spent up to now is 75.0 secs Computing kpt #: 140 total cpu time spent up to now is 75.4 secs Computing kpt #: 141 total cpu time spent up to now is 75.8 secs Computing kpt #: 142 total cpu time spent up to now is 76.3 secs Computing kpt #: 143 total cpu time spent up to now is 76.7 secs Computing kpt #: 144 total cpu time spent up to now is 77.2 secs Computing kpt #: 145 total cpu time spent up to now is 77.6 secs Computing kpt #: 146 total cpu time spent up to now is 78.1 secs Computing kpt #: 147 total cpu time spent up to now is 78.6 secs Computing kpt #: 148 total cpu time spent up to now is 79.1 secs Computing kpt #: 149 total cpu time spent up to now is 79.5 secs Computing kpt #: 150 total cpu time spent up to now is 80.0 secs Computing kpt #: 151 total cpu time spent up to now is 80.5 secs Computing kpt #: 152 total cpu time spent up to now is 81.0 secs Computing kpt #: 153 total cpu time spent up to now is 81.5 secs Computing kpt #: 154 total cpu time spent up to now is 82.0 secs Computing kpt #: 155 total cpu time spent up to now is 82.5 secs Computing kpt #: 156 total cpu time spent up to now is 83.0 secs Computing kpt #: 157 total cpu time spent up to now is 83.5 secs Computing kpt #: 158 total cpu time spent up to now is 84.0 secs Computing kpt #: 159 total cpu time spent up to now is 84.6 secs Computing kpt #: 160 total cpu time spent up to now is 85.3 secs Computing kpt #: 161 total cpu time spent up to now is 85.9 secs Computing kpt #: 162 total cpu time spent up to now is 86.5 secs Computing kpt #: 163 total cpu time spent up to now is 87.0 secs Computing kpt #: 164 total cpu time spent up to now is 87.5 secs Computing kpt #: 165 total cpu time spent up to now is 88.0 secs Computing kpt #: 166 total cpu time spent up to now is 88.5 secs Computing kpt #: 167 total cpu time spent up to now is 88.9 secs Computing kpt #: 168 total cpu time spent up to now is 89.4 secs Computing kpt #: 169 total cpu time spent up to now is 89.9 secs Computing kpt #: 170 total cpu time spent up to now is 90.4 secs Computing kpt #: 171 total cpu time spent up to now is 90.9 secs Computing kpt #: 172 total cpu time spent up to now is 91.3 secs Computing kpt #: 173 total cpu time spent up to now is 91.8 secs Computing kpt #: 174 total cpu time spent up to now is 92.3 secs Computing kpt #: 175 total cpu time spent up to now is 92.8 secs Computing kpt #: 176 total cpu time spent up to now is 93.2 secs Computing kpt #: 177 total cpu time spent up to now is 93.7 secs Computing kpt #: 178 total cpu time spent up to now is 94.2 secs Computing kpt #: 179 total cpu time spent up to now is 94.7 secs Computing kpt #: 180 total cpu time spent up to now is 95.2 secs Computing kpt #: 181 total cpu time spent up to now is 95.7 secs Computing kpt #: 182 total cpu time spent up to now is 96.2 secs Computing kpt #: 183 total cpu time spent up to now is 96.6 secs Computing kpt #: 184 total cpu time spent up to now is 97.1 secs Computing kpt #: 185 total cpu time spent up to now is 97.7 secs Computing kpt #: 186 total cpu time spent up to now is 98.2 secs Computing kpt #: 187 total cpu time spent up to now is 98.7 secs Computing kpt #: 188 total cpu time spent up to now is 99.3 secs Computing kpt #: 189 total cpu time spent up to now is 99.9 secs Computing kpt #: 190 total cpu time spent up to now is 100.5 secs Computing kpt #: 191 total cpu time spent up to now is 101.3 secs Computing kpt #: 192 total cpu time spent up to now is 102.0 secs Computing kpt #: 193 total cpu time spent up to now is 102.9 secs Computing kpt #: 194 total cpu time spent up to now is 104.0 secs Computing kpt #: 195 total cpu time spent up to now is 104.6 secs Computing kpt #: 196 total cpu time spent up to now is 105.4 secs Computing kpt #: 197 total cpu time spent up to now is 106.0 secs Computing kpt #: 198 total cpu time spent up to now is 106.6 secs Computing kpt #: 199 total cpu time spent up to now is 107.3 secs Computing kpt #: 200 total cpu time spent up to now is 107.9 secs Computing kpt #: 201 total cpu time spent up to now is 108.5 secs Computing kpt #: 202 total cpu time spent up to now is 109.0 secs Computing kpt #: 203 total cpu time spent up to now is 109.5 secs Computing kpt #: 204 total cpu time spent up to now is 110.1 secs Computing kpt #: 205 total cpu time spent up to now is 110.6 secs Computing kpt #: 206 total cpu time spent up to now is 111.1 secs Computing kpt #: 207 total cpu time spent up to now is 111.6 secs Computing kpt #: 208 total cpu time spent up to now is 112.0 secs Computing kpt #: 209 total cpu time spent up to now is 112.5 secs Computing kpt #: 210 total cpu time spent up to now is 113.0 secs Computing kpt #: 211 total cpu time spent up to now is 113.5 secs Computing kpt #: 212 total cpu time spent up to now is 114.0 secs Computing kpt #: 213 total cpu time spent up to now is 114.4 secs Computing kpt #: 214 total cpu time spent up to now is 114.9 secs Computing kpt #: 215 total cpu time spent up to now is 115.4 secs Computing kpt #: 216 total cpu time spent up to now is 115.9 secs Computing kpt #: 217 total cpu time spent up to now is 116.3 secs Computing kpt #: 218 total cpu time spent up to now is 116.8 secs Computing kpt #: 219 total cpu time spent up to now is 117.3 secs Computing kpt #: 220 total cpu time spent up to now is 117.8 secs Computing kpt #: 221 total cpu time spent up to now is 118.3 secs Computing kpt #: 222 total cpu time spent up to now is 118.8 secs Computing kpt #: 223 total cpu time spent up to now is 119.4 secs Computing kpt #: 224 total cpu time spent up to now is 120.1 secs Computing kpt #: 225 total cpu time spent up to now is 120.7 secs Computing kpt #: 226 total cpu time spent up to now is 121.3 secs Computing kpt #: 227 total cpu time spent up to now is 121.9 secs Computing kpt #: 228 total cpu time spent up to now is 122.5 secs Computing kpt #: 229 total cpu time spent up to now is 123.1 secs Computing kpt #: 230 total cpu time spent up to now is 123.8 secs Computing kpt #: 231 total cpu time spent up to now is 124.4 secs Computing kpt #: 232 total cpu time spent up to now is 124.9 secs Computing kpt #: 233 total cpu time spent up to now is 125.5 secs Computing kpt #: 234 total cpu time spent up to now is 126.1 secs Computing kpt #: 235 total cpu time spent up to now is 126.8 secs Computing kpt #: 236 total cpu time spent up to now is 127.4 secs Computing kpt #: 237 total cpu time spent up to now is 128.0 secs Computing kpt #: 238 total cpu time spent up to now is 128.7 secs Computing kpt #: 239 total cpu time spent up to now is 129.3 secs Computing kpt #: 240 total cpu time spent up to now is 130.0 secs Computing kpt #: 241 total cpu time spent up to now is 130.6 secs Computing kpt #: 242 total cpu time spent up to now is 131.3 secs Computing kpt #: 243 total cpu time spent up to now is 131.9 secs Computing kpt #: 244 total cpu time spent up to now is 132.5 secs Computing kpt #: 245 total cpu time spent up to now is 133.1 secs Computing kpt #: 246 total cpu time spent up to now is 133.8 secs Computing kpt #: 247 total cpu time spent up to now is 134.4 secs Computing kpt #: 248 total cpu time spent up to now is 135.0 secs Computing kpt #: 249 total cpu time spent up to now is 135.6 secs Computing kpt #: 250 total cpu time spent up to now is 136.3 secs Computing kpt #: 251 total cpu time spent up to now is 136.8 secs Computing kpt #: 252 total cpu time spent up to now is 137.4 secs Computing kpt #: 253 total cpu time spent up to now is 137.9 secs Computing kpt #: 254 total cpu time spent up to now is 138.3 secs Computing kpt #: 255 total cpu time spent up to now is 138.8 secs Computing kpt #: 256 total cpu time spent up to now is 139.3 secs Computing kpt #: 257 total cpu time spent up to now is 139.8 secs Computing kpt #: 258 total cpu time spent up to now is 140.2 secs Computing kpt #: 259 total cpu time spent up to now is 140.7 secs Computing kpt #: 260 total cpu time spent up to now is 141.2 secs Computing kpt #: 261 total cpu time spent up to now is 141.6 secs Computing kpt #: 262 total cpu time spent up to now is 142.1 secs Computing kpt #: 263 total cpu time spent up to now is 142.6 secs Computing kpt #: 264 total cpu time spent up to now is 143.0 secs Computing kpt #: 265 total cpu time spent up to now is 143.5 secs ethr = 2.08E-08, avg # of iterations = 20.1 total cpu time spent up to now is 143.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -8.6260 -8.6260 -5.5832 -5.5832 -5.4505 -5.4505 -1.9907 -1.9907 -1.9904 -1.9904 -1.1291 -1.1291 -0.4284 -0.4284 0.2107 0.2107 0.2112 0.2112 1.5602 1.5602 1.5609 1.5609 1.8266 1.8266 1.8286 1.8286 1.9901 1.9901 2.1359 2.1359 5.4612 5.4612 5.4618 5.4618 5.5086 5.5086 6.1952 6.1952 6.5576 6.5576 7.0976 7.0976 7.1011 7.1011 8.1879 8.1879 8.1886 8.1886 10.2411 10.2411 10.2466 10.2466 13.1505 13.1505 13.8620 13.8620 13.8621 13.8621 k = 0.0143-0.0065-0.0048 ( 3495 PWs) bands (ev): -8.6254 -8.6254 -5.5858 -5.5858 -5.4493 -5.4493 -1.9923 -1.9923 -1.9909 -1.9909 -1.1309 -1.1309 -0.4275 -0.4275 0.2126 0.2126 0.2136 0.2136 1.5401 1.5401 1.5584 1.5584 1.8163 1.8163 1.8490 1.8490 2.0048 2.0048 2.1425 2.1425 5.4526 5.4526 5.4621 5.4621 5.5073 5.5073 6.2030 6.2030 6.5501 6.5501 7.0956 7.0956 7.1022 7.1022 8.1851 8.1851 8.1886 8.1886 10.2395 10.2395 10.2455 10.2455 13.1535 13.1535 13.8607 13.8607 13.8660 13.8660 k = 0.0286-0.0130-0.0096 ( 3495 PWs) bands (ev): -8.6236 -8.6236 -5.5932 -5.5932 -5.4458 -5.4458 -1.9973 -1.9973 -1.9920 -1.9920 -1.1362 -1.1362 -0.4246 -0.4246 0.2179 0.2179 0.2214 0.2214 1.4916 1.4916 1.5510 1.5510 1.7936 1.7936 1.9007 1.9007 2.0380 2.0380 2.1630 2.1630 5.4267 5.4267 5.4639 5.4639 5.5044 5.5044 6.2248 6.2248 6.5283 6.5283 7.0861 7.0861 7.1085 7.1085 8.1757 8.1757 8.1896 8.1896 10.2329 10.2329 10.2437 10.2437 13.1626 13.1626 13.8566 13.8566 13.8777 13.8777 k = 0.0429-0.0195-0.0144 ( 3494 PWs) bands (ev): -8.6206 -8.6206 -5.6049 -5.6049 -5.4408 -5.4408 -2.0056 -2.0056 -1.9938 -1.9938 -1.1450 -1.1450 -0.4199 -0.4199 0.2266 0.2266 0.2342 0.2342 1.4311 1.4311 1.5361 1.5361 1.7746 1.7746 1.9663 1.9663 2.0762 2.0762 2.1978 2.1978 5.3863 5.3863 5.4668 5.4668 5.5004 5.5004 6.2578 6.2578 6.4941 6.4941 7.0699 7.0699 7.1179 7.1179 8.1601 8.1601 8.1912 8.1912 10.2206 10.2206 10.2422 10.2422 13.1776 13.1776 13.8498 13.8498 13.8971 13.8971 k = 0.0571-0.0260-0.0192 ( 3496 PWs) bands (ev): -8.6165 -8.6165 -5.6201 -5.6201 -5.4349 -5.4349 -2.0170 -2.0170 -1.9962 -1.9962 -1.1569 -1.1569 -0.4133 -0.4133 0.2386 0.2386 0.2516 0.2516 1.3664 1.3664 1.5125 1.5125 1.7666 1.7666 2.0382 2.0382 2.1150 2.1150 2.2450 2.2450 5.3351 5.3351 5.4706 5.4706 5.4953 5.4953 6.2983 6.2983 6.4496 6.4496 7.0473 7.0473 7.1282 7.1282 8.1384 8.1384 8.1934 8.1934 10.2033 10.2033 10.2404 10.2404 13.1984 13.1984 13.8403 13.8403 13.9239 13.9239 k = 0.0714-0.0325-0.0240 ( 3500 PWs) bands (ev): -8.6111 -8.6111 -5.6381 -5.6381 -5.4287 -5.4287 -2.0312 -2.0312 -1.9993 -1.9993 -1.1717 -1.1717 -0.4051 -0.4051 0.2536 0.2536 0.2731 0.2731 1.3008 1.3008 1.4818 1.4818 1.7709 1.7709 2.1133 2.1133 2.1551 2.1551 2.3006 2.3006 5.2769 5.2769 5.4750 5.4750 5.4891 5.4891 6.3430 6.3430 6.3971 6.3971 7.0184 7.0184 7.1379 7.1379 8.1107 8.1107 8.1962 8.1962 10.1813 10.1813 10.2381 10.2381 13.2246 13.2246 13.8282 13.8282 13.9578 13.9578 k = 0.0857-0.0390-0.0289 ( 3505 PWs) bands (ev): -8.6047 -8.6047 -5.6585 -5.6585 -5.4225 -5.4225 -2.0478 -2.0478 -2.0030 -2.0030 -1.1893 -1.1893 -0.3951 -0.3951 0.2715 0.2715 0.2979 0.2979 1.2358 1.2358 1.4473 1.4473 1.7855 1.7855 2.1899 2.1899 2.1985 2.1985 2.3610 2.3610 5.2145 5.2145 5.4793 5.4793 5.4819 5.4819 6.3388 6.3388 6.3897 6.3897 6.9833 6.9833 7.1457 7.1457 8.0770 8.0770 8.1995 8.1995 10.1549 10.1549 10.2350 10.2350 13.2559 13.2559 13.8134 13.8134 13.9982 13.9982 k = 0.1000-0.0455-0.0337 ( 3504 PWs) bands (ev): -8.5971 -8.5971 -5.6810 -5.6810 -5.4166 -5.4166 -2.0666 -2.0666 -2.0071 -2.0071 -1.2091 -1.2091 -0.3836 -0.3836 0.2919 0.2919 0.3254 0.3254 1.1726 1.1726 1.4125 1.4125 1.8082 1.8082 2.2460 2.2460 2.2672 2.2672 2.4235 2.4235 5.1502 5.1502 5.4725 5.4725 5.4840 5.4840 6.2766 6.2766 6.4365 6.4365 6.9424 6.9424 7.1508 7.1508 8.0377 8.0377 8.2032 8.2032 10.1246 10.1246 10.2312 10.2312 13.2920 13.2920 13.7960 13.7960 14.0447 14.0447 k = 0.1143-0.0520-0.0385 ( 3508 PWs) bands (ev): -8.5884 -8.5884 -5.7053 -5.7053 -5.4112 -5.4112 -2.0873 -2.0873 -2.0117 -2.0117 -1.2309 -1.2309 -0.3706 -0.3706 0.3141 0.3141 0.3544 0.3544 1.1120 1.1120 1.3798 1.3798 1.8373 1.8373 2.2980 2.2980 2.3446 2.3446 2.4866 2.4866 5.0861 5.0861 5.4624 5.4624 5.4869 5.4869 6.2126 6.2126 6.4820 6.4820 6.8958 6.8958 7.1527 7.1527 7.9929 7.9929 8.2072 8.2072 10.0905 10.0905 10.2265 10.2265 13.3324 13.3324 13.7756 13.7756 14.0965 14.0965 k = 0.1286-0.0585-0.0433 ( 3507 PWs) bands (ev): -8.5787 -8.5787 -5.7312 -5.7312 -5.4062 -5.4062 -2.1094 -2.1094 -2.0167 -2.0167 -1.2543 -1.2543 -0.3562 -0.3562 0.3376 0.3376 0.3838 0.3838 1.0549 1.0549 1.3515 1.3515 1.8716 1.8716 2.3539 2.3539 2.4216 2.4216 2.5492 2.5492 5.0240 5.0240 5.4509 5.4509 5.4874 5.4874 6.1489 6.1489 6.5252 6.5252 6.8438 6.8438 7.1512 7.1512 7.9428 7.9428 8.2115 8.2115 10.0530 10.0530 10.2207 10.2207 13.3767 13.3767 13.7521 13.7521 14.1527 14.1527 k = 0.1429-0.0650-0.0481 ( 3510 PWs) bands (ev): -8.5680 -8.5680 -5.7587 -5.7587 -5.4018 -5.4018 -2.1328 -2.1328 -2.0220 -2.0220 -1.2790 -1.2790 -0.3405 -0.3405 0.3612 0.3612 0.4124 0.4124 1.0025 1.0025 1.3292 1.3292 1.9103 1.9103 2.4128 2.4128 2.4977 2.4977 2.6108 2.6108 4.9653 4.9653 5.4381 5.4381 5.4838 5.4838 6.0878 6.0878 6.5651 6.5651 6.7869 6.7869 7.1464 7.1464 7.8878 7.8878 8.2159 8.2159 10.0125 10.0125 10.2136 10.2136 13.4245 13.4245 13.7251 13.7251 14.2120 14.2120 k = 0.1571-0.0715-0.0529 ( 3509 PWs) bands (ev): -8.5563 -8.5563 -5.7874 -5.7874 -5.3979 -5.3979 -2.1570 -2.1570 -2.0275 -2.0275 -1.3046 -1.3046 -0.3237 -0.3237 0.3834 0.3834 0.4388 0.4388 0.9564 0.9564 1.3145 1.3145 1.9530 1.9530 2.4730 2.4730 2.5726 2.5726 2.6717 2.6717 4.9118 4.9118 5.4241 5.4241 5.4741 5.4741 6.0319 6.0319 6.6004 6.6004 6.7262 6.7262 7.1386 7.1386 7.8282 7.8282 8.2204 8.2204 9.9694 9.9694 10.2052 10.2052 13.4752 13.4752 13.6942 13.6942 14.2730 14.2730 k = 0.1714-0.0781-0.0577 ( 3512 PWs) bands (ev): -8.5437 -8.5437 -5.8174 -5.8174 -5.3945 -5.3945 -2.1818 -2.1818 -2.0332 -2.0332 -1.3308 -1.3308 -0.3058 -0.3058 0.4022 0.4022 0.4620 0.4620 0.9185 0.9185 1.3085 1.3085 1.9991 1.9991 2.5318 2.5318 2.6457 2.6457 2.7327 2.7327 4.8649 4.8649 5.4089 5.4089 5.4562 5.4562 5.9842 5.9842 6.6222 6.6222 6.6702 6.6702 7.1280 7.1280 7.7644 7.7644 8.2249 8.2249 9.9240 9.9240 10.1952 10.1952 13.5285 13.5285 13.6593 13.6593 14.3337 14.3337 k = 0.1857-0.0846-0.0625 ( 3518 PWs) bands (ev): -8.5303 -8.5303 -5.8483 -5.8483 -5.3915 -5.3915 -2.2069 -2.2069 -2.0390 -2.0390 -1.3574 -1.3574 -0.2871 -0.2871 0.4149 0.4149 0.4811 0.4811 0.8916 0.8916 1.3121 1.3121 2.0482 2.0482 2.5856 2.5856 2.7165 2.7165 2.7962 2.7962 4.8259 4.8259 5.3927 5.3927 5.4282 5.4282 5.9466 5.9466 6.5778 6.5778 6.6716 6.6716 7.1152 7.1152 7.6968 7.6968 8.2292 8.2292 9.8767 9.8767 10.1836 10.1836 13.5831 13.5831 13.6205 13.6205 14.3911 14.3911 k = 0.2000-0.0911-0.0673 ( 3519 PWs) bands (ev): -8.5161 -8.5161 -5.8802 -5.8802 -5.3890 -5.3890 -2.2321 -2.2321 -2.0448 -2.0448 -1.3839 -1.3839 -0.2678 -0.2678 0.4188 0.4188 0.4957 0.4957 0.8783 0.8783 1.3255 1.3255 2.1001 2.1001 2.6305 2.6305 2.7846 2.7846 2.8646 2.8646 4.7960 4.7960 5.3755 5.3755 5.3899 5.3899 5.9201 5.9201 6.5055 6.5055 6.6920 6.6920 7.1007 7.1007 7.6260 7.6260 8.2334 8.2334 9.8279 9.8279 10.1702 10.1702 13.5743 13.5743 13.6421 13.6421 14.4414 14.4414 k = 0.2143-0.0976-0.0721 ( 3520 PWs) bands (ev): -8.5012 -8.5012 -5.9127 -5.9127 -5.3869 -5.3869 -2.2573 -2.2573 -2.0506 -2.0506 -1.4103 -1.4103 -0.2481 -0.2481 0.4124 0.4124 0.5061 0.5061 0.8800 0.8800 1.3484 1.3484 2.1541 2.1541 2.6635 2.6635 2.8493 2.8493 2.9399 2.9399 4.7761 4.7761 5.3425 5.3425 5.3577 5.3577 5.9038 5.9038 6.4276 6.4276 6.7090 6.7090 7.0852 7.0852 7.5525 7.5525 8.2374 8.2374 9.7778 9.7778 10.1549 10.1549 13.5256 13.5256 13.7001 13.7001 14.4793 14.4793 k = 0.2286-0.1041-0.0770 ( 3524 PWs) bands (ev): -8.4857 -8.4857 -5.9457 -5.9457 -5.3852 -5.3852 -2.2821 -2.2821 -2.0563 -2.0563 -1.4362 -1.4362 -0.2284 -0.2284 0.3962 0.3962 0.5130 0.5130 0.8963 0.8963 1.3799 1.3799 2.2096 2.2096 2.6841 2.6841 2.9099 2.9099 3.0223 3.0223 4.7664 4.7664 5.2886 5.2886 5.3396 5.3396 5.8954 5.8954 6.3462 6.3462 6.7204 6.7204 7.0694 7.0694 7.4770 7.4770 8.2410 8.2410 9.7271 9.7271 10.1377 10.1377 13.4720 13.4720 13.7593 13.7593 14.4988 14.4988 k = 0.2429-0.1106-0.0818 ( 3524 PWs) bands (ev): -8.4697 -8.4697 -5.9791 -5.9791 -5.3838 -5.3838 -2.3065 -2.3065 -2.0619 -2.0619 -1.4615 -1.4615 -0.2090 -0.2090 0.3721 0.3721 0.5178 0.5178 0.9250 0.9250 1.4188 1.4188 2.2655 2.2655 2.6938 2.6938 2.9657 2.9657 3.1107 3.1107 4.7666 4.7666 5.2312 5.2312 5.3218 5.3218 5.8924 5.8924 6.2620 6.2620 6.7253 6.7253 7.0540 7.0540 7.4004 7.4004 8.2443 8.2443 9.6760 9.6760 10.1185 10.1185 13.4140 13.4140 13.8190 13.8190 14.4955 14.4955 k = 0.2571-0.1171-0.0866 ( 3524 PWs) bands (ev): -8.4532 -8.4532 -6.0126 -6.0126 -5.3827 -5.3827 -2.3303 -2.3303 -2.0673 -2.0673 -1.4861 -1.4861 -0.1905 -0.1905 0.3428 0.3428 0.5218 0.5218 0.9634 0.9634 1.4635 1.4635 2.3196 2.3196 2.6957 2.6957 3.0159 3.0159 3.2040 3.2040 4.7756 4.7756 5.1730 5.1730 5.3052 5.3052 5.8923 5.8923 6.1757 6.1757 6.7227 6.7227 7.0400 7.0400 7.3237 7.3237 8.2472 8.2472 9.6250 9.6250 10.0974 10.0974 13.3521 13.3521 13.8790 13.8790 14.4689 14.4689 k = 0.2714-0.1236-0.0914 ( 3524 PWs) bands (ev): -8.4365 -8.4365 -6.0461 -6.0461 -5.3818 -5.3818 -2.3533 -2.3533 -2.0724 -2.0724 -1.5097 -1.5097 -0.1732 -0.1732 0.3105 0.3105 0.5264 0.5264 1.0092 1.0092 1.5124 1.5124 2.3679 2.3679 2.6953 2.6953 3.0596 3.0596 3.3010 3.3010 4.7914 4.7914 5.1165 5.1165 5.2909 5.2909 5.8932 5.8932 6.0878 6.0878 6.7115 6.7115 7.0279 7.0279 7.2480 7.2480 8.2496 8.2496 9.5744 9.5744 10.0743 10.0743 13.2872 13.2872 13.9390 13.9390 14.4235 14.4235 k = 0.2857-0.1301-0.0962 ( 3520 PWs) bands (ev): -8.4195 -8.4195 -6.0792 -6.0792 -5.3811 -5.3811 -2.3755 -2.3755 -2.0773 -2.0773 -1.5322 -1.5322 -0.1576 -0.1576 0.2769 0.2769 0.5330 0.5330 1.0605 1.0605 1.5640 1.5640 2.4035 2.4035 2.7011 2.7011 3.0959 3.0959 3.4008 3.4008 4.8112 4.8112 5.0638 5.0638 5.2810 5.2810 5.8933 5.8933 5.9990 5.9990 6.6907 6.6907 7.0187 7.0187 7.1748 7.1748 8.2516 8.2516 9.5248 9.5248 10.0495 10.0495 13.2200 13.2200 13.9987 13.9987 14.3655 14.3655 k = 0.3000-0.1366-0.1010 ( 3519 PWs) bands (ev): -8.4025 -8.4025 -6.1119 -6.1119 -5.3807 -5.3807 -2.3967 -2.3967 -2.0820 -2.0820 -1.5537 -1.5537 -0.1441 -0.1441 0.2431 0.2431 0.5426 0.5426 1.1160 1.1160 1.6167 1.6167 2.4179 2.4179 2.7233 2.7233 3.1239 3.1239 3.5024 3.5024 4.8309 4.8309 5.0166 5.0166 5.2779 5.2779 5.8914 5.8914 5.9103 5.9103 6.6590 6.6590 7.0129 7.0129 7.1055 7.1055 8.2530 8.2530 9.4765 9.4765 10.0232 10.0232 13.1513 13.1513 14.0579 14.0579 14.3006 14.3006 k = 0.3143-0.1431-0.1058 ( 3519 PWs) bands (ev): -8.3856 -8.3856 -6.1438 -6.1438 -5.3803 -5.3803 -2.4168 -2.4168 -2.0863 -2.0863 -1.5738 -1.5738 -0.1330 -0.1330 0.2100 0.2100 0.5560 0.5560 1.1747 1.1747 1.6691 1.6691 2.4088 2.4088 2.7660 2.7660 3.1429 3.1429 3.6050 3.6050 4.8463 4.8463 4.9763 4.9763 5.2845 5.2845 5.8223 5.8223 5.8866 5.8866 6.6158 6.6158 7.0110 7.0110 7.0412 7.0412 8.2539 8.2539 9.4299 9.4299 9.9954 9.9954 13.0821 13.0821 14.1164 14.1164 14.2330 14.2330 k = 0.3286-0.1496-0.1106 ( 3519 PWs) bands (ev): -8.3689 -8.3689 -6.1748 -6.1748 -5.3802 -5.3802 -2.4358 -2.4358 -2.0904 -2.0904 -1.5927 -1.5927 -0.1244 -0.1244 0.1781 0.1781 0.5737 0.5737 1.2357 1.2357 1.7194 1.7194 2.3824 2.3824 2.8253 2.8253 3.1524 3.1524 3.7077 3.7077 4.8536 4.8536 4.9439 4.9439 5.3030 5.3030 5.7366 5.7366 5.8783 5.8783 6.5612 6.5612 6.9819 6.9819 7.0131 7.0131 8.2542 8.2542 9.3854 9.3854 9.9667 9.9667 13.0134 13.0134 14.1656 14.1656 14.1739 14.1739 k = 0.3429-0.1561-0.1154 ( 3521 PWs) bands (ev): -8.3527 -8.3527 -6.2045 -6.2045 -5.3801 -5.3801 -2.4536 -2.4536 -2.0941 -2.0941 -1.6102 -1.6102 -0.1183 -0.1183 0.1479 0.1479 0.5958 0.5958 1.2983 1.2983 1.7657 1.7657 2.3466 2.3466 2.8953 2.8953 3.1523 3.1523 3.8091 3.8091 4.8510 4.8510 4.9200 4.9200 5.3328 5.3328 5.6550 5.6550 5.8662 5.8662 6.4966 6.4966 6.9268 6.9268 7.0194 7.0194 8.2540 8.2540 9.3433 9.3433 9.9372 9.9372 12.9462 12.9462 14.1005 14.1005 14.2301 14.2301 k = 0.3571-0.1626-0.1202 ( 3523 PWs) bands (ev): -8.3370 -8.3370 -6.2328 -6.2328 -5.3801 -5.3801 -2.4701 -2.4701 -2.0975 -2.0975 -1.6263 -1.6263 -0.1145 -0.1145 0.1197 0.1197 0.6222 0.6222 1.3618 1.3618 1.8054 1.8054 2.3079 2.3079 2.9723 2.9723 3.1429 3.1429 3.9077 3.9077 4.8395 4.8395 4.9047 4.9047 5.3692 5.3692 5.5820 5.5820 5.8504 5.8504 6.4245 6.4245 6.8745 6.8745 7.0294 7.0294 8.2532 8.2532 9.3040 9.3040 9.9076 9.9076 12.8813 12.8813 14.0388 14.0388 14.2845 14.2845 k = 0.3714-0.1691-0.1251 ( 3523 PWs) bands (ev): -8.3221 -8.3221 -6.2594 -6.2594 -5.3801 -5.3801 -2.4852 -2.4852 -2.1005 -2.1005 -1.6409 -1.6409 -0.1127 -0.1127 0.0936 0.0936 0.6525 0.6525 1.4255 1.4255 1.8354 1.8354 2.2722 2.2722 3.0539 3.0539 3.1250 3.1250 4.0011 4.0011 4.8221 4.8221 4.8976 4.8976 5.3950 5.3950 5.5322 5.5322 5.8312 5.8312 6.3477 6.3477 6.8230 6.8230 7.0427 7.0427 8.2520 8.2520 9.2677 9.2677 9.8782 9.8782 12.8196 12.8196 13.9815 13.9815 14.3361 14.3361 k = 0.3857-0.1756-0.1299 ( 3529 PWs) bands (ev): -8.3081 -8.3081 -6.2840 -6.2840 -5.3802 -5.3802 -2.4988 -2.4988 -2.1032 -2.1032 -1.6541 -1.6541 -0.1124 -0.1124 0.0699 0.0699 0.6858 0.6858 1.4885 1.4885 1.8518 1.8518 2.2448 2.2448 3.0997 3.0997 3.1389 3.1389 4.0852 4.0852 4.8037 4.8037 4.8979 4.8979 5.3758 5.3758 5.5371 5.5371 5.8092 5.8092 6.2697 6.2697 6.7710 6.7710 7.0584 7.0584 8.2502 8.2502 9.2347 9.2347 9.8497 9.8497 12.7621 12.7621 13.9293 13.9293 14.3833 14.3833 k = 0.4000-0.1821-0.1347 ( 3535 PWs) bands (ev): -8.2952 -8.2952 -6.3064 -6.3064 -5.3803 -5.3803 -2.5110 -2.5110 -2.1056 -2.1056 -1.6657 -1.6657 -0.1133 -0.1133 0.0487 0.0487 0.7214 0.7214 1.5499 1.5499 1.8520 1.8520 2.2297 2.2297 3.0688 3.0688 3.2260 3.2260 4.1543 4.1543 4.7908 4.7908 4.9043 4.9043 5.3272 5.3272 5.5772 5.5772 5.7853 5.7853 6.1952 6.1952 6.7173 6.7173 7.0757 7.0757 8.2481 8.2481 9.2052 9.2052 9.8226 9.8226 12.7094 12.7094 13.8825 13.8825 14.4234 14.4234 k = 0.4143-0.1886-0.1395 ( 3532 PWs) bands (ev): -8.2836 -8.2836 -6.3263 -6.3263 -5.3804 -5.3804 -2.5216 -2.5216 -2.1077 -2.1077 -1.6759 -1.6759 -0.1150 -0.1150 0.0302 0.0302 0.7581 0.7581 1.6087 1.6087 1.8366 1.8366 2.2271 2.2271 3.0342 3.0342 3.3145 3.3145 4.2004 4.2004 4.7919 4.7919 4.9153 4.9153 5.2764 5.2764 5.6186 5.6186 5.7605 5.7605 6.1311 6.1311 6.6614 6.6614 7.0935 7.0935 8.2458 8.2458 9.1794 9.1794 9.7975 9.7975 12.6622 12.6622 13.8415 13.8415 14.4523 14.4523 k = 0.4286-0.1951-0.1443 ( 3536 PWs) bands (ev): -8.2734 -8.2734 -6.3436 -6.3436 -5.3805 -5.3805 -2.5307 -2.5307 -2.1094 -2.1094 -1.6844 -1.6844 -0.1170 -0.1170 0.0143 0.0143 0.7944 0.7944 1.6634 1.6634 1.8101 1.8101 2.2338 2.2338 2.9981 2.9981 3.4030 3.4030 4.2170 4.2170 4.8139 4.8139 4.9291 4.9291 5.2310 5.2310 5.6433 5.6433 5.7359 5.7359 6.0885 6.0885 6.6028 6.6028 7.1108 7.1108 8.2433 8.2433 9.1573 9.1573 9.7750 9.7750 12.6213 12.6213 13.8066 13.8066 14.4676 14.4676 k = 0.4429-0.2016-0.1491 ( 3535 PWs) bands (ev): -8.2648 -8.2648 -6.3581 -6.3581 -5.3806 -5.3806 -2.5382 -2.5382 -2.1108 -2.1108 -1.6915 -1.6915 -0.1190 -0.1190 0.0013 0.0013 0.8288 0.8288 1.7124 1.7124 1.7787 1.7787 2.2451 2.2451 2.9632 2.9632 3.4903 3.4903 4.2041 4.2041 4.8574 4.8574 4.9441 4.9441 5.1926 5.1926 5.6390 5.6390 5.7129 5.7129 6.0790 6.0790 6.5415 6.5415 7.1266 7.1266 8.2410 8.2410 9.1392 9.1392 9.7556 9.7556 12.5870 12.5870 13.7778 13.7778 14.4720 14.4720 k = 0.4571-0.2081-0.1539 ( 3541 PWs) bands (ev): -8.2581 -8.2581 -6.3695 -6.3695 -5.3807 -5.3807 -2.5440 -2.5440 -2.1119 -2.1119 -1.6969 -1.6969 -0.1209 -0.1209 -0.0089 -0.0089 0.8591 0.8591 1.7477 1.7477 1.7538 1.7538 2.2570 2.2570 2.9320 2.9320 3.5738 3.5738 4.1694 4.1694 4.9152 4.9152 4.9583 4.9583 5.1615 5.1615 5.6064 5.6064 5.6928 5.6928 6.1034 6.1034 6.4777 6.4777 7.1401 7.1401 8.2389 8.2389 9.1250 9.1250 9.7400 9.7400 12.5599 12.5599 13.7554 13.7554 14.4707 14.4707 k = 0.4714-0.2146-0.1587 ( 3544 PWs) bands (ev): -8.2531 -8.2531 -6.3778 -6.3778 -5.3808 -5.3808 -2.5483 -2.5483 -2.1127 -2.1127 -1.7008 -1.7008 -0.1224 -0.1224 -0.0162 -0.0162 0.8832 0.8832 1.7221 1.7221 1.7854 1.7854 2.2670 2.2670 2.9072 2.9072 3.6492 3.6492 4.1240 4.1240 4.9700 4.9700 4.9769 4.9769 5.1367 5.1367 5.5604 5.5604 5.6772 5.6772 6.1507 6.1507 6.4120 6.4120 7.1503 7.1503 8.2372 8.2372 9.1148 9.1148 9.7285 9.7285 12.5403 12.5403 13.7393 13.7393 14.4678 14.4678 k = 0.4857-0.2211-0.1635 ( 3549 PWs) bands (ev): -8.2501 -8.2501 -6.3828 -6.3828 -5.3808 -5.3808 -2.5508 -2.5508 -2.1131 -2.1131 -1.7032 -1.7032 -0.1233 -0.1233 -0.0206 -0.0206 0.8988 0.8988 1.7050 1.7050 1.8053 1.8053 2.2735 2.2735 2.8911 2.8911 3.7069 3.7069 4.0823 4.0823 4.9778 4.9778 5.0303 5.0303 5.1163 5.1163 5.5201 5.5201 5.6672 5.6672 6.2096 6.2096 6.3455 6.3455 7.1566 7.1566 8.2362 8.2362 9.1087 9.1087 9.7214 9.7214 12.5285 12.5285 13.7296 13.7296 14.4654 14.4654 k = 0.5000-0.2277-0.1683 ( 3552 PWs) bands (ev): -8.2491 -8.2491 -6.3845 -6.3845 -5.3809 -5.3809 -2.5516 -2.5516 -2.1133 -2.1133 -1.7040 -1.7040 -0.1237 -0.1237 -0.0221 -0.0221 0.9042 0.9042 1.6991 1.6991 1.8122 1.8122 2.2758 2.2758 2.8856 2.8856 3.7301 3.7301 4.0643 4.0643 4.9805 4.9805 5.0567 5.0567 5.1037 5.1037 5.5038 5.5038 5.6638 5.6638 6.2618 6.2618 6.2914 6.2914 7.1588 7.1588 8.2358 8.2358 9.1067 9.1067 9.7191 9.7191 12.5245 12.5245 13.7264 13.7264 14.4645 14.4645 k = 0.5000-0.2277-0.1683 ( 3552 PWs) bands (ev): -8.2491 -8.2491 -6.3845 -6.3845 -5.3809 -5.3809 -2.5516 -2.5516 -2.1133 -2.1133 -1.7040 -1.7040 -0.1237 -0.1237 -0.0221 -0.0221 0.9042 0.9042 1.6991 1.6991 1.8122 1.8122 2.2758 2.2758 2.8856 2.8856 3.7301 3.7301 4.0643 4.0643 4.9805 4.9805 5.0567 5.0567 5.1037 5.1037 5.5038 5.5038 5.6638 5.6638 6.2618 6.2618 6.2914 6.2914 7.1588 7.1588 8.2358 8.2358 9.1067 9.1067 9.7191 9.7191 12.5245 12.5245 13.7264 13.7264 14.4645 14.4645 k = 0.5000-0.2180-0.1814 ( 3554 PWs) bands (ev): -8.2488 -8.2488 -6.3836 -6.3836 -5.3827 -5.3827 -2.5534 -2.5534 -2.1132 -2.1132 -1.7054 -1.7054 -0.1202 -0.1202 -0.0167 -0.0167 0.8973 0.8973 1.6940 1.6940 1.8202 1.8202 2.2761 2.2761 2.8904 2.8904 3.7295 3.7295 4.0637 4.0637 4.9748 4.9748 5.0530 5.0530 5.1048 5.1048 5.5052 5.5052 5.6644 5.6644 6.2626 6.2626 6.2932 6.2932 7.1562 7.1562 8.2341 8.2341 9.1086 9.1086 9.7190 9.7190 12.5252 12.5252 13.7214 13.7214 14.4662 14.4662 k = 0.5000-0.2083-0.1946 ( 3546 PWs) bands (ev): -8.2479 -8.2479 -6.3808 -6.3808 -5.3882 -5.3882 -2.5587 -2.5587 -2.1131 -2.1131 -1.7093 -1.7093 -0.1096 -0.1096 -0.0007 -0.0007 0.8774 0.8774 1.6792 1.6792 1.8435 1.8435 2.2769 2.2769 2.9047 2.9047 3.7279 3.7279 4.0622 4.0622 4.9582 4.9582 5.0425 5.0425 5.1080 5.1080 5.5093 5.5093 5.6659 5.6659 6.2652 6.2652 6.2989 6.2989 7.1486 7.1486 8.2290 8.2290 9.1143 9.1143 9.7189 9.7189 12.5272 12.5272 13.7064 13.7064 14.4709 14.4709 k = 0.5000-0.1986-0.2077 ( 3548 PWs) bands (ev): -8.2464 -8.2464 -6.3763 -6.3763 -5.3974 -5.3974 -2.5675 -2.5675 -2.1128 -2.1128 -1.7156 -1.7156 -0.0923 -0.0923 0.0257 0.0257 0.8464 0.8464 1.6554 1.6554 1.8801 1.8801 2.2784 2.2784 2.9273 2.9273 3.7251 3.7251 4.0597 4.0597 4.9316 4.9316 5.0258 5.0258 5.1134 5.1134 5.5151 5.5151 5.6668 5.6668 6.2694 6.2694 6.3089 6.3089 7.1365 7.1365 8.2206 8.2206 9.1236 9.1236 9.7187 9.7187 12.5304 12.5304 13.6821 13.6821 14.4772 14.4772 k = 0.5000-0.1889-0.2208 ( 3548 PWs) bands (ev): -8.2443 -8.2443 -6.3699 -6.3699 -5.4101 -5.4101 -2.5797 -2.5797 -2.1124 -2.1124 -1.7237 -1.7237 -0.0681 -0.0681 0.0617 0.0617 0.8068 0.8068 1.6240 1.6240 1.9274 1.9274 2.2803 2.2803 2.9568 2.9568 3.7210 3.7210 4.0566 4.0566 4.8964 4.8964 5.0043 5.0043 5.1210 5.1210 5.5218 5.5218 5.6654 5.6654 6.2752 6.2752 6.3237 6.3237 7.1204 7.1204 8.2087 8.2087 9.1360 9.1360 9.7187 9.7187 12.5345 12.5345 13.6490 13.6490 14.4829 14.4829 k = 0.5000-0.1792-0.2339 ( 3548 PWs) bands (ev): -8.2416 -8.2416 -6.3617 -6.3617 -5.4262 -5.4262 -2.5952 -2.5952 -2.1119 -2.1119 -1.7333 -1.7333 -0.0374 -0.0374 0.1068 0.1068 0.7610 0.7610 1.5864 1.5864 1.9831 1.9831 2.2827 2.2827 2.9913 2.9913 3.7154 3.7154 4.0532 4.0532 4.8541 4.8541 4.9790 4.9790 5.1307 5.1307 5.5284 5.5284 5.6599 5.6599 6.2826 6.2826 6.3437 6.3437 7.1014 7.1014 8.1935 8.1935 9.1511 9.1511 9.7190 9.7190 12.5395 12.5395 13.6081 13.6081 14.4849 14.4849 k = 0.5000-0.1695-0.2470 ( 3554 PWs) bands (ev): -8.2384 -8.2384 -6.3518 -6.3518 -5.4456 -5.4456 -2.6138 -2.6138 -2.1113 -2.1113 -1.7437 -1.7437 -0.0004 -0.0004 0.1600 0.1600 0.7113 0.7113 1.5439 1.5439 2.0450 2.0450 2.2854 2.2854 3.0290 3.0290 3.7079 3.7079 4.0500 4.0500 4.8060 4.8060 4.9510 4.9510 5.1424 5.1424 5.5341 5.5341 5.6493 5.6493 6.2915 6.2915 6.3690 6.3690 7.0802 7.0802 8.1749 8.1749 9.1684 9.1684 9.7199 9.7199 12.5448 12.5448 13.5604 13.5604 14.4798 14.4798 k = 0.5000-0.1598-0.2601 ( 3544 PWs) bands (ev): -8.2346 -8.2346 -6.3400 -6.3400 -5.4681 -5.4681 -2.6352 -2.6352 -2.1106 -2.1106 -1.7545 -1.7545 0.0426 0.0426 0.2205 0.2205 0.6593 0.6593 1.4979 1.4979 2.1114 2.1114 2.2884 2.2884 3.0680 3.0680 3.6983 3.6983 4.0477 4.0477 4.7536 4.7536 4.9207 4.9207 5.1563 5.1563 5.5383 5.5383 5.6331 5.6331 6.3018 6.3018 6.3993 6.3993 7.0580 7.0580 8.1529 8.1529 9.1874 9.1874 9.7217 9.7217 12.5503 12.5503 13.5068 13.5068 14.4648 14.4648 k = 0.5000-0.1501-0.2732 ( 3544 PWs) bands (ev): -8.2302 -8.2302 -6.3264 -6.3264 -5.4935 -5.4935 -2.6593 -2.6593 -2.1097 -2.1097 -1.7654 -1.7654 0.0913 0.0913 0.2871 0.2871 0.6066 0.6066 1.4496 1.4496 2.1808 2.1808 2.2915 2.2915 3.1065 3.1065 3.6861 3.6861 4.0471 4.0471 4.6981 4.6981 4.8883 4.8883 5.1721 5.1721 5.5408 5.5408 5.6120 5.6120 6.3135 6.3135 6.4338 6.4338 7.0355 7.0355 8.1276 8.1276 9.2078 9.2078 9.7244 9.7244 12.5557 12.5557 13.4483 13.4483 14.4383 14.4383 k = 0.5000-0.1404-0.2863 ( 3540 PWs) bands (ev): -8.2254 -8.2254 -6.3111 -6.3111 -5.5216 -5.5216 -2.6857 -2.6857 -2.1088 -2.1088 -1.7759 -1.7759 0.1451 0.1451 0.3579 0.3579 0.5556 0.5556 1.4001 1.4001 2.2520 2.2520 2.2946 2.2946 3.1427 3.1427 3.6707 3.6707 4.0491 4.0491 4.6409 4.6409 4.8537 4.8537 5.1899 5.1899 5.5415 5.5415 5.5871 5.5871 6.3265 6.3265 6.4714 6.4714 7.0136 7.0136 8.0989 8.0989 9.2290 9.2290 9.7284 9.7284 12.5607 12.5607 13.3858 13.3858 14.4004 14.4004 k = 0.5000-0.1307-0.2994 ( 3542 PWs) bands (ev): -8.2201 -8.2201 -6.2940 -6.2940 -5.5522 -5.5522 -2.7139 -2.7139 -2.1078 -2.1078 -1.7860 -1.7860 0.2035 0.2035 0.4235 0.4235 0.5156 0.5156 1.3501 1.3501 2.2975 2.2975 2.3241 2.3241 3.1750 3.1750 3.6516 3.6516 4.0548 4.0548 4.5833 4.5833 4.8162 4.8162 5.2094 5.2094 5.5405 5.5405 5.5602 5.5602 6.3408 6.3408 6.5106 6.5106 6.9933 6.9933 8.0668 8.0668 9.2509 9.2509 9.7338 9.7338 12.5652 12.5652 13.3203 13.3203 14.3524 14.3524 k = 0.5000-0.1211-0.3125 ( 3542 PWs) bands (ev): -8.2143 -8.2143 -6.2751 -6.2751 -5.5851 -5.5851 -2.7437 -2.7437 -2.1067 -2.1067 -1.7956 -1.7956 0.2660 0.2660 0.4266 0.4266 0.5440 0.5440 1.3008 1.3008 2.2999 2.2999 2.3961 2.3961 3.2023 3.2023 3.6280 3.6280 4.0650 4.0650 4.5267 4.5267 4.7750 4.7750 5.2305 5.2305 5.5334 5.5334 5.5380 5.5380 6.3564 6.3564 6.5500 6.5500 6.9752 6.9752 8.0315 8.0315 9.2733 9.2733 9.7406 9.7406 12.5690 12.5690 13.2526 13.2526 14.2964 14.2964 k = 0.5000-0.1114-0.3256 ( 3548 PWs) bands (ev): -8.2082 -8.2082 -6.2545 -6.2545 -5.6200 -5.6200 -2.7746 -2.7746 -2.1055 -2.1055 -1.8046 -1.8046 0.3318 0.3318 0.3842 0.3842 0.6236 0.6236 1.2529 1.2529 2.3017 2.3017 2.4671 2.4671 3.2235 3.2235 3.5995 3.5995 4.0802 4.0802 4.4724 4.4724 4.7294 4.7294 5.2528 5.2528 5.5089 5.5089 5.5345 5.5345 6.3732 6.3732 6.5877 6.5877 6.9604 6.9604 7.9928 7.9928 9.2960 9.2960 9.7490 9.7490 12.5722 12.5722 13.1834 13.1834 14.2344 14.2344 k = 0.5000-0.1017-0.3387 ( 3544 PWs) bands (ev): -8.2016 -8.2016 -6.2322 -6.2322 -5.6567 -5.6567 -2.8062 -2.8062 -2.1044 -2.1044 -1.8132 -1.8132 0.3380 0.3380 0.3996 0.3996 0.7127 0.7127 1.2076 1.2076 2.3026 2.3026 2.5359 2.5359 3.2384 3.2384 3.5658 3.5658 4.1005 4.1005 4.4217 4.4217 4.6789 4.6789 5.2758 5.2758 5.4886 5.4886 5.5308 5.5308 6.3913 6.3913 6.6216 6.6216 6.9502 6.9502 7.9509 7.9509 9.3189 9.3189 9.7590 9.7590 12.5747 12.5747 13.1136 13.1136 14.1684 14.1684 k = 0.5000-0.0920-0.3518 ( 3546 PWs) bands (ev): -8.1946 -8.1946 -6.2081 -6.2081 -5.6950 -5.6950 -2.8381 -2.8381 -2.1033 -2.1033 -1.8215 -1.8215 0.2930 0.2930 0.4681 0.4681 0.8060 0.8060 1.1663 1.1663 2.3024 2.3024 2.6011 2.6011 3.2473 3.2473 3.5271 3.5271 4.1250 4.1250 4.3756 4.3756 4.6237 4.6237 5.2987 5.2987 5.4740 5.4740 5.5279 5.5279 6.4107 6.4107 6.6494 6.6494 6.9458 6.9458 7.9058 7.9058 9.3421 9.3421 9.7703 9.7703 12.5766 12.5766 13.0437 13.0437 14.0997 14.0997 k = 0.5000-0.0823-0.3649 ( 3544 PWs) bands (ev): -8.1874 -8.1874 -6.1824 -6.1824 -5.7347 -5.7347 -2.8700 -2.8700 -2.1023 -2.1023 -1.8296 -1.8296 0.2504 0.2504 0.5348 0.5348 0.9023 0.9023 1.1312 1.1312 2.3007 2.3007 2.6607 2.6607 3.2507 3.2507 3.4846 3.4846 4.1517 4.1517 4.3350 4.3350 4.5654 4.5654 5.3202 5.3202 5.4662 5.4662 5.5275 5.5275 6.4314 6.4314 6.6692 6.6692 6.9486 6.9486 7.8577 7.8577 9.3657 9.3657 9.7830 9.7830 12.5782 12.5782 12.9745 12.9745 14.0295 14.0295 k = 0.5000-0.0726-0.3780 ( 3544 PWs) bands (ev): -8.1798 -8.1798 -6.1551 -6.1551 -5.7755 -5.7755 -2.9014 -2.9014 -2.1014 -2.1014 -1.8377 -1.8377 0.2107 0.2107 0.5962 0.5962 1.0010 1.0010 1.1056 1.1056 2.2974 2.2974 2.7120 2.7120 3.2499 3.2499 3.4407 3.4407 4.1765 4.1765 4.3002 4.3002 4.5077 4.5077 5.3383 5.3383 5.4654 5.4654 5.5317 5.5317 6.4535 6.4535 6.6796 6.6796 6.9590 6.9590 7.8066 7.8066 9.3895 9.3895 9.7967 9.7967 12.5797 12.5797 12.9065 12.9065 13.9588 13.9588 k = 0.5000-0.0629-0.3911 ( 3548 PWs) bands (ev): -8.1720 -8.1720 -6.1261 -6.1261 -5.8173 -5.8173 -2.9321 -2.9321 -2.1007 -2.1007 -1.8460 -1.8460 0.1743 0.1743 0.6467 0.6467 1.0943 1.0943 1.1014 1.1014 2.2923 2.2923 2.7506 2.7506 3.2461 3.2461 3.3997 3.3997 4.1907 4.1907 4.2711 4.2711 4.4593 4.4593 5.3513 5.3513 5.4717 5.4717 5.5426 5.5426 6.4769 6.4769 6.6810 6.6810 6.9759 6.9759 7.7528 7.7528 9.4138 9.4138 9.8111 9.8111 12.5812 12.5812 12.8403 12.8403 13.8884 13.8884 k = 0.5000-0.0532-0.4042 ( 3550 PWs) bands (ev): -8.1640 -8.1640 -6.0955 -6.0955 -5.8598 -5.8598 -2.9618 -2.9618 -2.1001 -2.1001 -1.8546 -1.8546 0.1414 0.1414 0.6803 0.6803 1.1031 1.1031 1.2030 1.2030 2.2855 2.2855 2.7707 2.7707 3.2403 3.2403 3.3679 3.3679 4.1801 4.1801 4.2475 4.2475 4.4347 4.4347 5.3580 5.3580 5.4845 5.4845 5.5615 5.5615 6.5017 6.5017 6.6750 6.6750 6.9973 6.9973 7.6964 7.6964 9.4385 9.4385 9.8261 9.8261 12.5831 12.5831 12.7764 12.7764 13.8187 13.8187 k = 0.5000-0.0435-0.4173 ( 3554 PWs) bands (ev): -8.1559 -8.1559 -6.0634 -6.0634 -5.9028 -5.9028 -2.9901 -2.9901 -2.0999 -2.0999 -1.8638 -1.8638 0.1123 0.1123 0.6936 0.6936 1.1342 1.1342 1.3054 1.3054 2.2771 2.2771 2.7662 2.7662 3.2338 3.2338 3.3519 3.3519 4.1377 4.1377 4.2288 4.2288 4.4414 4.4414 5.3590 5.3590 5.5034 5.5034 5.5882 5.5882 6.5279 6.5279 6.6632 6.6633 7.0211 7.0211 7.6376 7.6376 9.4637 9.4637 9.8412 9.8412 12.5856 12.5856 12.7153 12.7153 13.7503 13.7503 k = 0.5000-0.0338-0.4304 ( 3544 PWs) bands (ev): -8.1476 -8.1476 -6.0297 -6.0297 -5.9463 -5.9463 -3.0168 -3.0168 -2.0999 -2.0999 -1.8736 -1.8736 0.0870 0.0870 0.6893 0.6893 1.1838 1.1838 1.4082 1.4082 2.2677 2.2677 2.7343 2.7343 3.2273 3.2273 3.3552 3.3552 4.0737 4.0737 4.2145 4.2145 4.4698 4.4698 5.3560 5.3560 5.5276 5.5276 5.6212 5.6212 6.5554 6.5554 6.6471 6.6471 7.0453 7.0453 7.5768 7.5768 9.4892 9.4892 9.8561 9.8561 12.5889 12.5889 12.6574 12.6574 13.6835 13.6835 k = 0.5000-0.0241-0.4436 ( 3536 PWs) bands (ev): -8.1392 -8.1392 -5.9959 -5.9959 -5.9885 -5.9885 -3.0417 -3.0417 -2.1002 -2.1002 -1.8843 -1.8843 0.0658 0.0658 0.6733 0.6733 1.2446 1.2446 1.5108 1.5108 2.2585 2.2585 2.6777 2.6777 3.2212 3.2212 3.3760 3.3760 4.0000 4.0000 4.2038 4.2038 4.5089 4.5089 5.3506 5.3506 5.5563 5.5563 5.6589 5.6589 6.5842 6.5842 6.6274 6.6274 7.0689 7.0689 7.5141 7.5141 9.5151 9.5151 9.8705 9.8705 12.5933 12.5933 12.6031 12.6031 13.6186 13.6186 k = 0.5000-0.0145-0.4567 ( 3530 PWs) bands (ev): -8.1308 -8.1308 -6.0340 -6.0340 -5.9576 -5.9576 -3.0647 -3.0647 -2.1009 -2.1009 -1.8959 -1.8959 0.0486 0.0486 0.6505 0.6505 1.3093 1.3093 1.6127 1.6127 2.2510 2.2510 2.6020 2.6020 3.2159 3.2159 3.4095 3.4095 3.9234 3.9234 4.1963 4.1963 4.5532 4.5532 5.3441 5.3441 5.5890 5.5890 5.7000 5.7000 6.6047 6.6047 6.6143 6.6143 7.0912 7.0912 7.4500 7.4500 9.5410 9.5410 9.8840 9.8840 12.5528 12.5528 12.5990 12.5990 13.5558 13.5558 k = 0.5000-0.0048-0.4698 ( 3526 PWs) bands (ev): -8.1224 -8.1224 -6.0776 -6.0776 -5.9196 -5.9196 -3.0855 -3.0855 -2.1020 -2.1020 -1.9084 -1.9084 0.0356 0.0356 0.6241 0.6241 1.3717 1.3717 1.7135 1.7135 2.2478 2.2478 2.5126 2.5126 3.2110 3.2110 3.4508 3.4508 3.8476 3.8476 4.1916 4.1916 4.5999 4.5999 5.3376 5.3376 5.6248 5.6248 5.7438 5.7438 6.5794 6.5794 6.6454 6.6454 7.1118 7.1118 7.3850 7.3850 9.5668 9.5668 9.8962 9.8962 12.5067 12.5067 12.6060 12.6060 13.4954 13.4954 k = 0.5000 0.0049-0.4829 ( 3524 PWs) bands (ev): -8.1141 -8.1141 -6.1211 -6.1211 -5.8802 -5.8802 -3.1039 -3.1039 -2.1035 -2.1035 -1.9219 -1.9219 0.0267 0.0267 0.5960 0.5960 1.4262 1.4262 1.8125 1.8125 2.2522 2.2522 2.4138 2.4138 3.2059 3.2059 3.4967 3.4967 3.7758 3.7758 4.1893 4.1893 4.6478 4.6478 5.3316 5.3316 5.6630 5.6630 5.7892 5.7892 6.5517 6.5517 6.6773 6.6773 7.1306 7.1306 7.3196 7.3196 9.5923 9.5923 9.9070 9.9070 12.4651 12.4651 12.6146 12.6146 13.4374 13.4374 k = 0.5000 0.0146-0.4960 ( 3522 PWs) bands (ev): -8.1059 -8.1059 -6.1642 -6.1642 -5.8395 -5.8395 -3.1199 -3.1199 -2.1054 -2.1054 -1.9364 -1.9364 0.0218 0.0218 0.5672 0.5672 1.4679 1.4679 1.9089 1.9089 2.2678 2.2678 2.3086 2.3086 3.1994 3.1994 3.5449 3.5449 3.7104 3.7104 4.1891 4.1891 4.6961 4.6961 5.3268 5.3268 5.7031 5.7031 5.8358 5.8358 6.5219 6.5219 6.7096 6.7096 7.1475 7.1475 7.2548 7.2548 9.6171 9.6171 9.9159 9.9159 12.4282 12.4282 12.6247 12.6247 13.3821 13.3821 k = 0.5000 0.0243-0.5091 ( 3520 PWs) bands (ev): -8.0977 -8.0977 -6.2069 -6.2069 -5.7976 -5.7976 -3.1334 -3.1334 -2.1077 -2.1077 -1.9518 -1.9518 0.0209 0.0209 0.5382 0.5382 1.4929 1.4929 2.0010 2.0010 2.1999 2.1999 2.2978 2.2978 3.1900 3.1900 3.5943 3.5943 3.6542 3.6542 4.1910 4.1910 4.7445 4.7445 5.3233 5.3233 5.7442 5.7442 5.8827 5.8827 6.4902 6.4902 6.7415 6.7415 7.1628 7.1628 7.1916 7.1916 9.6408 9.6408 9.9229 9.9229 12.3961 12.3961 12.6364 12.6364 13.3295 13.3295 k = 0.5000 0.0340-0.5222 ( 3520 PWs) bands (ev): -8.0898 -8.0898 -6.2490 -6.2490 -5.7545 -5.7545 -3.1442 -3.1442 -2.1104 -2.1104 -1.9681 -1.9681 0.0237 0.0237 0.5092 0.5092 1.4996 1.4996 2.0588 2.0588 2.1187 2.1187 2.3429 2.3429 3.1762 3.1762 3.6096 3.6096 3.6439 3.6439 4.1948 4.1948 4.7928 4.7928 5.3215 5.3215 5.7855 5.7855 5.9292 5.9292 6.4570 6.4570 6.7716 6.7716 7.1322 7.1322 7.1765 7.1765 9.6631 9.6631 9.9277 9.9277 12.3690 12.3690 12.6497 12.6497 13.2797 13.2797 k = 0.5000 0.0437-0.5353 ( 3528 PWs) bands (ev): -8.0820 -8.0820 -6.2905 -6.2905 -5.7103 -5.7103 -3.1523 -3.1523 -2.1134 -2.1134 -1.9852 -1.9852 0.0302 0.0302 0.4800 0.4800 1.4891 1.4891 1.9607 1.9607 2.1869 2.1869 2.4017 2.4017 3.1572 3.1572 3.5783 3.5783 3.6933 3.6933 4.2008 4.2008 4.8407 4.8407 5.3216 5.3216 5.8261 5.8261 5.9744 5.9744 6.4230 6.4230 6.7969 6.7969 7.0803 7.0803 7.1888 7.1888 9.6835 9.6835 9.9301 9.9301 12.3470 12.3470 12.6645 12.6645 13.2327 13.2327 k = 0.5000 0.0534-0.5484 ( 3530 PWs) bands (ev): -8.0745 -8.0745 -6.3311 -6.3311 -5.6650 -5.6650 -3.1577 -3.1577 -2.1168 -2.1168 -2.0028 -2.0028 0.0400 0.0400 0.4505 0.4505 1.4642 1.4642 1.8441 1.8441 2.2673 2.2673 2.4706 2.4706 3.1338 3.1338 3.5604 3.5604 3.7420 3.7420 4.2092 4.2092 4.8882 4.8882 5.3237 5.3237 5.8649 5.8649 6.0170 6.0170 6.3892 6.3892 6.8120 6.8120 7.0424 7.0424 7.2001 7.2001 9.7018 9.7018 9.9301 9.9301 12.3299 12.3299 12.6807 12.6807 13.1887 13.1887 k = 0.5000 0.0631-0.5615 ( 3530 PWs) bands (ev): -8.0672 -8.0672 -6.3710 -6.3710 -5.6188 -5.6188 -3.1602 -3.1602 -2.1204 -2.1204 -2.0210 -2.0210 0.0528 0.0528 0.4204 0.4204 1.4284 1.4284 1.7254 1.7254 2.3437 2.3437 2.5449 2.5449 3.1088 3.1088 3.5548 3.5548 3.7893 3.7893 4.2206 4.2206 4.9352 4.9352 5.3278 5.3278 5.9001 5.9001 6.0556 6.0556 6.3570 6.3570 6.8098 6.8098 7.0270 7.0270 7.2104 7.2104 9.7175 9.7175 9.9276 9.9276 12.3179 12.3179 12.6983 12.6983 13.1478 13.1478 k = 0.5000 0.0728-0.5746 ( 3528 PWs) bands (ev): -8.0601 -8.0601 -6.4099 -6.4099 -5.5718 -5.5718 -3.1599 -3.1599 -2.1242 -2.1242 -2.0395 -2.0395 0.0683 0.0683 0.3891 0.3891 1.3848 1.3848 1.6062 1.6062 2.4146 2.4146 2.6191 2.6191 3.0872 3.0872 3.5591 3.5591 3.8345 3.8345 4.2359 4.2359 4.9817 4.9817 5.3339 5.3339 5.9294 5.9294 6.0880 6.0880 6.3289 6.3289 6.7910 6.7910 7.0354 7.0354 7.2201 7.2201 9.7304 9.7304 9.9226 9.9226 12.3109 12.3109 12.7170 12.7170 13.1099 13.1099 k = 0.7266 0.2186-0.0988 ( 3528 PWs) bands (ev): -8.0601 -8.0601 -6.4099 -6.4099 -5.5718 -5.5718 -3.1599 -3.1599 -2.1242 -2.1242 -2.0395 -2.0395 0.0683 0.0683 0.3891 0.3891 1.3848 1.3848 1.6062 1.6062 2.4146 2.4146 2.6191 2.6191 3.0872 3.0872 3.5591 3.5591 3.8345 3.8345 4.2359 4.2359 4.9817 4.9817 5.3339 5.3339 5.9294 5.9294 6.0880 6.0880 6.3289 6.3289 6.7910 6.7910 7.0354 7.0354 7.2201 7.2201 9.7304 9.7304 9.9226 9.9226 12.3109 12.3109 12.7170 12.7170 13.1099 13.1099 k = 0.7179 0.2225-0.0858 ( 3522 PWs) bands (ev): -8.0535 -8.0535 -6.4474 -6.4474 -5.5246 -5.5246 -3.1569 -3.1569 -2.1281 -2.1281 -2.0579 -2.0579 0.0858 0.0858 0.3565 0.3565 1.3369 1.3369 1.4886 1.4886 2.4788 2.4788 2.6850 2.6850 3.0763 3.0763 3.5709 3.5709 3.8759 3.8759 4.2560 4.2560 5.0272 5.0272 5.3418 5.3418 5.9491 5.9491 6.1114 6.1114 6.3085 6.3085 6.7665 6.7665 7.0590 7.0590 7.2291 7.2291 9.7401 9.7401 9.9152 9.9152 12.3089 12.3089 12.7366 12.7366 13.0755 13.0755 k = 0.7092 0.2265-0.0729 ( 3526 PWs) bands (ev): -8.0472 -8.0472 -6.4838 -6.4838 -5.4768 -5.4768 -3.1511 -3.1511 -2.1320 -2.1320 -2.0763 -2.0763 0.1049 0.1049 0.3216 0.3216 1.2866 1.2866 1.3720 1.3720 2.5368 2.5368 2.7343 2.7343 3.0846 3.0846 3.5885 3.5885 3.9127 3.9127 4.2825 4.2825 5.0720 5.0720 5.3516 5.3516 5.9562 5.9562 6.1235 6.1235 6.2993 6.2993 6.7460 6.7460 7.0905 7.0905 7.2376 7.2376 9.7466 9.7466 9.9053 9.9053 12.3116 12.3116 12.7570 12.7570 13.0443 13.0443 k = 0.7004 0.2305-0.0599 ( 3524 PWs) bands (ev): -8.0412 -8.0412 -6.5191 -6.5191 -5.4285 -5.4285 -3.1426 -3.1426 -2.1359 -2.1359 -2.0944 -2.0944 0.1249 0.1249 0.2838 0.2838 1.2357 1.2357 1.2573 1.2573 2.5884 2.5884 2.7601 2.7601 3.1187 3.1187 3.6106 3.6106 3.9437 3.9437 4.3164 4.3164 5.1163 5.1163 5.3632 5.3632 5.9487 5.9487 6.1222 6.1222 6.3035 6.3035 6.7359 6.7359 7.1258 7.1258 7.2459 7.2459 9.7498 9.7498 9.8931 9.8931 12.3190 12.3190 12.7782 12.7782 13.0162 13.0162 k = 0.6917 0.2344-0.0470 ( 3524 PWs) bands (ev): -8.0355 -8.0355 -6.5533 -6.5533 -5.3799 -5.3799 -3.1316 -3.1316 -2.1397 -2.1397 -2.1122 -2.1122 0.1449 0.1449 0.2426 0.2426 1.1453 1.1453 1.1859 1.1859 2.6336 2.6336 2.7651 2.7651 3.1755 3.1755 3.6360 3.6360 3.9681 3.9681 4.3583 4.3583 5.1599 5.1599 5.3764 5.3764 5.9277 5.9277 6.1069 6.1069 6.3202 6.3202 6.7385 6.7385 7.1627 7.1627 7.2539 7.2539 9.7497 9.7497 9.8785 9.8785 12.3311 12.3311 12.7998 12.7998 12.9914 12.9914 k = 0.6830 0.2384-0.0340 ( 3528 PWs) bands (ev): -8.0302 -8.0302 -6.5862 -6.5862 -5.3310 -5.3310 -3.1180 -3.1180 -2.1432 -2.1432 -2.1294 -2.1294 0.1634 0.1634 0.1974 0.1974 1.0376 1.0376 1.1385 1.1385 2.6726 2.6726 2.7576 2.7576 3.2458 3.2458 3.6643 3.6643 3.9859 3.9859 4.4080 4.4080 5.2028 5.2028 5.3910 5.3910 5.8968 5.8968 6.0790 6.0790 6.3464 6.3464 6.7534 6.7534 7.2002 7.2002 7.2617 7.2617 9.7462 9.7462 9.8617 9.8617 12.3477 12.3477 12.8218 12.8218 12.9698 12.9698 k = 0.6743 0.2424-0.0211 ( 3526 PWs) bands (ev): -8.0252 -8.0252 -6.6179 -6.6179 -5.2821 -5.2821 -3.1021 -3.1021 -2.1464 -2.1464 -2.1457 -2.1457 0.1480 0.1480 0.1784 0.1784 0.9362 0.9362 1.0946 1.0946 2.7055 2.7055 2.7447 2.7447 3.3217 3.3217 3.6948 3.6948 3.9977 3.9977 4.4642 4.4642 5.2449 5.2449 5.4069 5.4069 5.8597 5.8597 6.0415 6.0415 6.3789 6.3789 6.7787 6.7787 7.2373 7.2373 7.2694 7.2694 9.7394 9.7394 9.8427 9.8427 12.3686 12.3686 12.8439 12.8439 12.9515 12.9515 k = 0.6656 0.2463-0.0081 ( 3526 PWs) bands (ev): -8.0205 -8.0205 -6.6483 -6.6483 -5.2332 -5.2332 -3.0839 -3.0839 -2.1610 -2.1610 -2.1491 -2.1491 0.0941 0.0941 0.1869 0.1869 0.8441 0.8441 1.0547 1.0547 2.7305 2.7305 2.7329 2.7329 3.3983 3.3983 3.7274 3.7274 4.0044 4.0044 4.5256 4.5256 5.2860 5.2860 5.4239 5.4239 5.8191 5.8191 5.9972 5.9972 6.4154 6.4154 6.8117 6.8117 7.2736 7.2736 7.2771 7.2771 9.7296 9.7296 9.8218 9.8218 12.3938 12.3938 12.8659 12.8659 12.9366 12.9366 k = 0.6569 0.2503 0.0048 ( 3526 PWs) bands (ev): -8.0162 -8.0162 -6.6773 -6.6773 -5.1847 -5.1847 -3.0637 -3.0637 -2.1750 -2.1750 -2.1512 -2.1512 0.0361 0.0361 0.1842 0.1842 0.7660 0.7660 1.0194 1.0194 2.7170 2.7170 2.7551 2.7551 3.4722 3.4722 3.7620 3.7620 4.0071 4.0071 4.5908 4.5908 5.3260 5.3260 5.4419 5.4419 5.7773 5.7773 5.9490 5.9490 6.4546 6.4546 6.8500 6.8500 7.2845 7.2845 7.3088 7.3088 9.7169 9.7169 9.7989 9.7989 12.4230 12.4230 12.8876 12.8876 12.9250 12.9250 k = 0.6482 0.2543 0.0178 ( 3532 PWs) bands (ev): -8.0123 -8.0123 -6.7049 -6.7049 -5.1366 -5.1366 -3.0417 -3.0417 -2.1876 -2.1876 -2.1527 -2.1527 -0.0256 -0.0256 0.1651 0.1651 0.7069 0.7069 0.9885 0.9885 2.7054 2.7054 2.7724 2.7724 3.5413 3.5413 3.7984 3.7984 4.0064 4.0064 4.6581 4.6581 5.3645 5.3645 5.4606 5.4606 5.7359 5.7359 5.8989 5.8989 6.4954 6.4954 6.8919 6.8919 7.2921 7.2921 7.3423 7.3423 9.7015 9.7015 9.7743 9.7743 12.4560 12.4560 12.9087 12.9087 12.9167 12.9167 k = 0.6394 0.2582 0.0307 ( 3528 PWs) bands (ev): -8.0086 -8.0086 -6.7312 -6.7312 -5.0893 -5.0893 -3.0183 -3.0183 -2.1983 -2.1983 -2.1535 -2.1535 -0.0906 -0.0906 0.1260 0.1260 0.6706 0.6706 0.9620 0.9620 2.6961 2.6961 2.7856 2.7856 3.6040 3.6040 3.8366 3.8366 4.0029 4.0029 4.7265 4.7265 5.4010 5.4010 5.4797 5.4797 5.6964 5.6964 5.8488 5.8488 6.5373 6.5373 6.9361 6.9361 7.2996 7.2996 7.3738 7.3738 9.6839 9.6839 9.7483 9.7483 12.4925 12.4925 12.9118 12.9118 12.9290 12.9290 k = 0.6307 0.2622 0.0437 ( 3530 PWs) bands (ev): -8.0053 -8.0053 -6.7560 -6.7560 -5.0428 -5.0428 -2.9936 -2.9936 -2.2071 -2.2071 -2.1534 -2.1534 -0.1579 -0.1579 0.0676 0.0676 0.6561 0.6561 0.9395 0.9395 2.6895 2.6895 2.7949 2.7949 3.6594 3.6594 3.8763 3.8763 3.9973 3.9973 4.7947 4.7947 5.4345 5.4345 5.4990 5.4990 5.6607 5.6607 5.7999 5.7999 6.5797 6.5797 6.9816 6.9816 7.3072 7.3072 7.4032 7.4032 9.6642 9.6642 9.7209 9.7209 12.5322 12.5322 12.9101 12.9101 12.9483 12.9483 k = 0.6220 0.2662 0.0566 ( 3532 PWs) bands (ev): -8.0023 -8.0023 -6.7793 -6.7793 -4.9975 -4.9975 -2.9682 -2.9682 -2.2136 -2.2136 -2.1525 -2.1525 -0.2267 -0.2267 -0.0051 -0.0051 0.6587 0.6587 0.9206 0.9206 2.6856 2.6856 2.8009 2.8009 3.7070 3.7070 3.9168 3.9168 3.9899 3.9899 4.8617 4.8617 5.4625 5.4625 5.5176 5.5176 5.6317 5.6317 5.7538 5.7538 6.6223 6.6223 7.0275 7.0275 7.3150 7.3150 7.4303 7.4303 9.6428 9.6428 9.6925 9.6925 12.5746 12.5746 12.9115 12.9115 12.9662 12.9662 k = 0.6133 0.2701 0.0696 ( 3532 PWs) bands (ev): -7.9996 -7.9996 -6.8011 -6.8011 -4.9536 -4.9536 -2.9425 -2.9425 -2.2175 -2.2175 -2.1505 -2.1505 -0.2963 -0.2963 -0.0868 -0.0868 0.6727 0.6727 0.9047 0.9047 2.6842 2.6842 2.8040 2.8040 3.7471 3.7471 3.9571 3.9571 3.9810 3.9810 4.9266 4.9266 5.4802 5.4802 5.5342 5.5342 5.6147 5.6147 5.7125 5.7125 6.6648 6.6648 7.0734 7.0734 7.3231 7.3231 7.4549 7.4549 9.6202 9.6202 9.6633 9.6633 12.6192 12.6192 12.9160 12.9160 12.9824 12.9824 k = 0.6046 0.2741 0.0825 ( 3532 PWs) bands (ev): -7.9972 -7.9972 -6.8213 -6.8213 -4.9114 -4.9114 -2.9169 -2.9169 -2.2186 -2.2186 -2.1476 -2.1476 -0.3656 -0.3656 -0.1729 -0.1729 0.6937 0.6937 0.8916 0.8916 2.6853 2.6853 2.8047 2.8047 3.7805 3.7805 3.9711 3.9711 3.9959 3.9959 4.9884 4.9884 5.4822 5.4822 5.5453 5.5453 5.6153 5.6153 5.6798 5.6798 6.7066 6.7066 7.1185 7.1185 7.3316 7.3316 7.4770 7.4770 9.5966 9.5966 9.6337 9.6337 12.6654 12.6654 12.9232 12.9232 12.9931 12.9931 k = 0.5959 0.2781 0.0955 ( 3530 PWs) bands (ev): -7.9951 -7.9951 -6.8401 -6.8401 -4.8711 -4.8711 -2.8920 -2.8920 -2.2166 -2.2166 -2.1438 -2.1438 -0.4339 -0.4339 -0.2604 -0.2604 0.7189 0.7189 0.8807 0.8807 2.6886 2.6886 2.8033 2.8033 3.8078 3.8078 3.9604 3.9604 4.0322 4.0322 5.0465 5.0465 5.4713 5.4713 5.5446 5.5446 5.6308 5.6308 5.6625 5.6625 6.7472 6.7472 7.1625 7.1625 7.3407 7.3407 7.4966 7.4966 9.5725 9.5725 9.6041 9.6041 12.7127 12.7127 12.9329 12.9329 12.9469 12.9469 k = 0.5871 0.2821 0.1084 ( 3522 PWs) bands (ev): -7.9931 -7.9931 -6.8572 -6.8572 -4.8331 -4.8331 -2.8683 -2.8683 -2.2113 -2.2113 -2.1390 -2.1390 -0.5003 -0.5003 -0.3473 -0.3473 0.7461 0.7461 0.8716 0.8716 2.6938 2.6938 2.8002 2.8002 3.8296 3.8296 3.9493 3.9493 4.0654 4.0654 5.1000 5.1000 5.4551 5.4551 5.5290 5.5290 5.6534 5.6534 5.6638 5.6638 6.7861 6.7861 7.2049 7.2049 7.3504 7.3504 7.5137 7.5137 9.5484 9.5484 9.5747 9.5747 12.7603 12.7603 12.8783 12.8783 12.9449 12.9449 k = 0.5784 0.2860 0.1214 ( 3514 PWs) bands (ev): -7.9915 -7.9915 -6.8728 -6.8728 -4.7976 -4.7976 -2.8462 -2.8462 -2.2028 -2.2028 -2.1334 -2.1334 -0.5639 -0.5639 -0.4319 -0.4319 0.7738 0.7738 0.8642 0.8642 2.7006 2.7006 2.7959 2.7959 3.8466 3.8466 3.9381 3.9381 4.0950 4.0950 5.1486 5.1486 5.4385 5.4385 5.5047 5.5047 5.6765 5.6765 5.6788 5.6788 6.8228 6.8228 7.2452 7.2452 7.3608 7.3608 7.5283 7.5283 9.5245 9.5245 9.5462 9.5462 12.8073 12.8073 12.8131 12.8131 12.9586 12.9586 k = 0.5697 0.2900 0.1343 ( 3514 PWs) bands (ev): -7.9900 -7.9900 -6.8868 -6.8868 -4.7648 -4.7648 -2.8262 -2.8262 -2.1912 -2.1912 -2.1271 -2.1271 -0.6240 -0.6240 -0.5130 -0.5130 0.8011 0.8011 0.8581 0.8581 2.7084 2.7084 2.7907 2.7907 3.8592 3.8592 3.9271 3.9271 4.1211 4.1211 5.1918 5.1918 5.4234 5.4234 5.4787 5.4787 5.6957 5.6957 5.7027 5.7027 6.8566 6.8566 7.2830 7.2830 7.3719 7.3719 7.5406 7.5406 9.5014 9.5014 9.5188 9.5188 12.7526 12.7526 12.8530 12.8530 12.9736 12.9736 k = 0.5610 0.2940 0.1473 ( 3508 PWs) bands (ev): -7.9888 -7.9888 -6.8991 -6.8991 -4.7351 -4.7351 -2.8085 -2.8085 -2.1769 -2.1769 -2.1204 -2.1204 -0.6796 -0.6796 -0.5894 -0.5894 0.8271 0.8271 0.8531 0.8531 2.7170 2.7170 2.7850 2.7850 3.8680 3.8680 3.9165 3.9165 4.1437 4.1437 5.2294 5.2294 5.4106 5.4106 5.4538 5.4538 5.7163 5.7163 5.7256 5.7256 6.8870 6.8870 7.3178 7.3178 7.3836 7.3836 7.5509 7.5509 9.4795 9.4795 9.4932 9.4932 12.6976 12.6976 12.8962 12.8962 12.9893 12.9893 k = 0.5523 0.2979 0.1602 ( 3508 PWs) bands (ev): -7.9877 -7.9877 -6.9099 -6.9099 -4.7088 -4.7088 -2.7934 -2.7934 -2.1606 -2.1606 -2.1135 -2.1135 -0.7301 -0.7301 -0.6598 -0.6598 0.8490 0.8490 0.8511 0.8511 2.7257 2.7257 2.7791 2.7791 3.8735 3.8735 3.9067 3.9067 4.1630 4.1630 5.2612 5.2612 5.4000 5.4000 5.4316 5.4316 5.7369 5.7369 5.7463 5.7463 6.9136 6.9136 7.3491 7.3491 7.3957 7.3957 7.5591 7.5591 9.4591 9.4591 9.4697 9.4697 12.6486 12.6486 12.9360 12.9360 13.0053 13.0053 k = 0.5436 0.3019 0.1732 ( 3500 PWs) bands (ev): -7.9869 -7.9869 -6.9190 -6.9190 -4.6860 -4.6860 -2.7809 -2.7809 -2.1432 -2.1432 -2.1067 -2.1067 -0.7746 -0.7746 -0.7230 -0.7230 0.8458 0.8458 0.8724 0.8724 2.7343 2.7343 2.7734 2.7734 3.8764 3.8764 3.8979 3.8979 4.1792 4.1792 5.2875 5.2875 5.3915 5.3915 5.4126 5.4126 5.7563 5.7563 5.7646 5.7646 6.9360 6.9360 7.3765 7.3765 7.4075 7.4075 7.5657 7.5657 9.4409 9.4409 9.4490 9.4490 12.6061 12.6061 12.9713 12.9713 13.0210 13.0210 k = 0.5349 0.3059 0.1861 ( 3496 PWs) bands (ev): -7.9862 -7.9862 -6.9264 -6.9264 -4.6671 -4.6671 -2.7709 -2.7709 -2.1260 -2.1260 -2.1003 -2.1003 -0.8123 -0.8123 -0.7776 -0.7776 0.8433 0.8433 0.8906 0.8906 2.7420 2.7420 2.7682 2.7682 3.8774 3.8774 3.8905 3.8905 4.1924 4.1924 5.3081 5.3081 5.3851 5.3851 5.3973 5.3973 5.7734 5.7734 5.7800 5.7800 6.9543 6.9543 7.3996 7.3996 7.4186 7.4186 7.5707 7.5707 9.4251 9.4251 9.4314 9.4314 12.5707 12.5707 13.0006 13.0006 13.0361 13.0361 k = 0.5261 0.3098 0.1991 ( 3492 PWs) bands (ev): -7.9857 -7.9857 -6.9322 -6.9322 -4.6521 -4.6521 -2.7634 -2.7634 -2.1105 -2.1105 -2.0949 -2.0949 -0.8426 -0.8426 -0.8221 -0.8221 0.8414 0.8414 0.9053 0.9053 2.7486 2.7486 2.7639 2.7639 3.8773 3.8773 3.8845 3.8845 4.2025 4.2025 5.3231 5.3231 5.3803 5.3803 5.3860 5.3860 5.7875 5.7875 5.7923 5.7923 6.9683 6.9683 7.4180 7.4180 7.4283 7.4283 7.5745 7.5745 9.4121 9.4121 9.4174 9.4174 12.5426 12.5426 13.0228 13.0228 13.0504 13.0504 k = 0.5174 0.3138 0.2120 ( 3484 PWs) bands (ev): -7.9853 -7.9853 -6.9364 -6.9364 -4.6413 -4.6413 -2.7581 -2.7581 -2.0980 -2.0980 -2.0907 -2.0907 -0.8647 -0.8647 -0.8552 -0.8552 0.8401 0.8401 0.9160 0.9160 2.7536 2.7536 2.7606 2.7606 3.8765 3.8765 3.8803 3.8803 4.2098 4.2098 5.3327 5.3327 5.3771 5.3771 5.3789 5.3789 5.7978 5.7978 5.8015 5.8015 6.9782 6.9782 7.4313 7.4313 7.4358 7.4358 7.5770 7.5770 9.4024 9.4024 9.4073 9.4073 12.5223 12.5223 13.0373 13.0373 13.0630 13.0630 k = 0.5087 0.3178 0.2250 ( 3480 PWs) bands (ev): -7.9851 -7.9851 -6.9389 -6.9389 -4.6348 -4.6348 -2.7550 -2.7550 -2.0899 -2.0899 -2.0880 -2.0880 -0.8783 -0.8783 -0.8756 -0.8756 0.8393 0.8393 0.9225 0.9225 2.7568 2.7568 2.7585 2.7585 3.8754 3.8754 3.8781 3.8781 4.2142 4.2142 5.3374 5.3374 5.3752 5.3752 5.3756 5.3756 5.8040 5.8040 5.8073 5.8073 6.9840 6.9840 7.4394 7.4394 7.4405 7.4405 7.5785 7.5785 9.3964 9.3964 9.4011 9.4011 12.5100 12.5100 13.0453 13.0453 13.0716 13.0716 k = 0.5000 0.3217 0.2379 ( 3478 PWs) bands (ev): -7.9850 -7.9850 -6.9397 -6.9397 -4.6326 -4.6326 -2.7540 -2.7540 -2.0871 -2.0871 -2.0871 -2.0871 -0.8833 -0.8833 -0.8820 -0.8820 0.8391 0.8391 0.9247 0.9247 2.7578 2.7578 2.7579 2.7579 3.8749 3.8749 3.8775 3.8775 4.2156 4.2156 5.3387 5.3387 5.3745 5.3745 5.3748 5.3748 5.8060 5.8060 5.8093 5.8093 6.9860 6.9860 7.4420 7.4420 7.4423 7.4423 7.5790 7.5790 9.3944 9.3944 9.3991 9.3991 12.5059 12.5059 13.0478 13.0478 13.0742 13.0742 k = 0.5000 0.3217 0.2379 ( 3478 PWs) bands (ev): -7.9850 -7.9850 -6.9397 -6.9397 -4.6326 -4.6326 -2.7540 -2.7540 -2.0871 -2.0871 -2.0871 -2.0871 -0.8833 -0.8833 -0.8820 -0.8820 0.8391 0.8391 0.9247 0.9247 2.7578 2.7578 2.7579 2.7579 3.8749 3.8749 3.8775 3.8775 4.2156 4.2156 5.3387 5.3387 5.3745 5.3745 5.3748 5.3748 5.8060 5.8060 5.8093 5.8093 6.9860 6.9860 7.4420 7.4420 7.4423 7.4423 7.5790 7.5790 9.3944 9.3944 9.3991 9.3991 12.5059 12.5059 13.0478 13.0478 13.0742 13.0742 k = 0.4872 0.3135 0.2318 ( 3484 PWs) bands (ev): -7.9869 -7.9869 -6.9373 -6.9373 -4.6333 -4.6333 -2.7518 -2.7518 -2.0872 -2.0872 -2.0872 -2.0872 -0.8816 -0.8816 -0.8803 -0.8803 0.7876 0.7876 0.9778 0.9778 2.7513 2.7513 2.7514 2.7514 3.8754 3.8754 3.8779 3.8779 4.2080 4.2080 5.3425 5.3425 5.3782 5.3782 5.3785 5.3785 5.8092 5.8092 5.8125 5.8125 6.9852 6.9852 7.4358 7.4358 7.4361 7.4361 7.5748 7.5748 9.3994 9.3994 9.4041 9.4041 12.5078 12.5078 13.0510 13.0510 13.0755 13.0756 k = 0.4744 0.3052 0.2257 ( 3490 PWs) bands (ev): -7.9924 -7.9924 -6.9303 -6.9303 -4.6355 -4.6355 -2.7451 -2.7451 -2.0874 -2.0874 -2.0874 -2.0874 -0.8765 -0.8765 -0.8752 -0.8752 0.7100 0.7100 1.0599 1.0599 2.7321 2.7321 2.7323 2.7323 3.8764 3.8764 3.8789 3.8789 4.1857 4.1857 5.3531 5.3531 5.3896 5.3896 5.3899 5.3899 5.8186 5.8186 5.8218 5.8218 6.9827 6.9827 7.4176 7.4176 7.4179 7.4179 7.5622 7.5622 9.4142 9.4142 9.4189 9.4189 12.5134 12.5134 13.0607 13.0607 13.0795 13.0795 k = 0.4615 0.2970 0.2196 ( 3496 PWs) bands (ev): -8.0015 -8.0015 -6.9188 -6.9188 -4.6392 -4.6392 -2.7341 -2.7341 -2.0878 -2.0878 -2.0878 -2.0878 -0.8680 -0.8680 -0.8667 -0.8667 0.6313 0.6313 1.1463 1.1463 2.7013 2.7013 2.7015 2.7015 3.8769 3.8769 3.8794 3.8794 4.1499 4.1499 5.3694 5.3694 5.4088 5.4088 5.4090 5.4090 5.8339 5.8339 5.8371 5.8371 6.9787 6.9787 7.3881 7.3881 7.3884 7.3884 7.5417 7.5417 9.4381 9.4381 9.4428 9.4428 12.5227 12.5227 13.0768 13.0768 13.0861 13.0861 k = 0.4487 0.2887 0.2135 ( 3508 PWs) bands (ev): -8.0138 -8.0138 -6.9030 -6.9030 -4.6442 -4.6442 -2.7188 -2.7188 -2.0883 -2.0883 -2.0883 -2.0883 -0.8561 -0.8561 -0.8549 -0.8549 0.5538 0.5538 1.2345 1.2345 2.6603 2.6603 2.6605 2.6605 3.8757 3.8757 3.8782 3.8782 4.1024 4.1024 5.3895 5.3895 5.4362 5.4362 5.4363 5.4363 5.8547 5.8547 5.8578 5.8578 6.9732 6.9732 7.3486 7.3486 7.3488 7.3488 7.5137 7.5137 9.4698 9.4698 9.4744 9.4744 12.5358 12.5358 13.0951 13.0951 13.0963 13.0964 k = 0.4359 0.2805 0.2074 ( 3520 PWs) bands (ev): -8.0291 -8.0291 -6.8834 -6.8834 -4.6506 -4.6506 -2.6992 -2.6992 -2.0889 -2.0889 -2.0888 -2.0888 -0.8411 -0.8411 -0.8398 -0.8398 0.4782 0.4782 1.3236 1.3236 2.6106 2.6106 2.6108 2.6108 3.8714 3.8714 3.8738 3.8738 4.0450 4.0450 5.4114 5.4114 5.4719 5.4719 5.4719 5.4719 5.8803 5.8803 5.8834 5.8834 6.9661 6.9661 7.3005 7.3005 7.3006 7.3006 7.4792 7.4792 9.5080 9.5080 9.5127 9.5127 12.5526 12.5526 13.1067 13.1067 13.1079 13.1079 k = 0.4231 0.2722 0.2013 ( 3517 PWs) bands (ev): -8.0469 -8.0469 -6.8602 -6.8602 -4.6584 -4.6584 -2.6755 -2.6755 -2.0894 -2.0894 -2.0894 -2.0894 -0.8228 -0.8228 -0.8216 -0.8216 0.4048 0.4048 1.4132 1.4132 2.5539 2.5539 2.5541 2.5541 3.8626 3.8626 3.8650 3.8650 3.9797 3.9797 5.4329 5.4329 5.5159 5.5159 5.5160 5.5160 5.9103 5.9103 5.9132 5.9132 6.9576 6.9576 7.2452 7.2452 7.2453 7.2453 7.4390 7.4390 9.5513 9.5513 9.5560 9.5560 12.5733 12.5733 13.1208 13.1208 13.1220 13.1220 k = 0.4103 0.2640 0.1952 ( 3517 PWs) bands (ev): -8.0668 -8.0668 -6.8339 -6.8339 -4.6675 -4.6675 -2.6478 -2.6478 -2.0899 -2.0899 -2.0899 -2.0899 -0.8015 -0.8015 -0.8003 -0.8003 0.3339 0.3339 1.5030 1.5030 2.4916 2.4916 2.4919 2.4919 3.8486 3.8486 3.8509 3.8509 3.9081 3.9081 5.4523 5.4523 5.5680 5.5680 5.5683 5.5683 5.9439 5.9439 5.9467 5.9467 6.9478 6.9478 7.1846 7.1846 7.1846 7.1846 7.3942 7.3942 9.5983 9.5983 9.6030 9.6030 12.5977 12.5977 13.1373 13.1373 13.1383 13.1383 k = 0.3974 0.2557 0.1891 ( 3514 PWs) bands (ev): -8.0886 -8.0886 -6.8047 -6.8047 -4.6778 -4.6778 -2.6162 -2.6162 -2.0903 -2.0903 -2.0902 -2.0902 -0.7772 -0.7772 -0.7760 -0.7760 0.2655 0.2655 1.5924 1.5924 2.4252 2.4252 2.4255 2.4255 3.8288 3.8288 3.8311 3.8311 3.8316 3.8316 5.4680 5.4680 5.6275 5.6275 5.6279 5.6279 5.9807 5.9807 5.9832 5.9832 6.9367 6.9367 7.1200 7.1200 7.1201 7.1201 7.3460 7.3460 9.6477 9.6477 9.6523 9.6523 12.6260 12.6260 13.1559 13.1559 13.1569 13.1569 k = 0.3846 0.2475 0.1830 ( 3502 PWs) bands (ev): -8.1118 -8.1118 -6.7732 -6.7732 -4.6893 -4.6893 -2.5809 -2.5809 -2.0905 -2.0905 -2.0905 -2.0905 -0.7500 -0.7500 -0.7488 -0.7488 0.2000 0.2000 1.6811 1.6811 2.3557 2.3557 2.3560 2.3560 3.7515 3.7515 3.8031 3.8031 3.8054 3.8054 5.4787 5.4787 5.6934 5.6934 5.6940 5.6940 6.0202 6.0202 6.0225 6.0225 6.9245 6.9245 7.0531 7.0531 7.0533 7.0533 7.2958 7.2958 9.6982 9.6982 9.7028 9.7028 12.6579 12.6579 13.1767 13.1767 13.1776 13.1776 k = 0.3718 0.2392 0.1769 ( 3508 PWs) bands (ev): -8.1361 -8.1361 -6.7395 -6.7395 -4.7020 -4.7020 -2.5420 -2.5420 -2.0905 -2.0905 -2.0905 -2.0905 -0.7201 -0.7201 -0.7190 -0.7190 0.1374 0.1374 1.7685 1.7685 2.2841 2.2841 2.2845 2.2845 3.6689 3.6689 3.7716 3.7716 3.7738 3.7738 5.4832 5.4832 5.7642 5.7642 5.7651 5.7651 6.0621 6.0621 6.0641 6.0641 6.9112 6.9112 6.9856 6.9856 6.9858 6.9858 7.2446 7.2446 9.7488 9.7488 9.7535 9.7535 12.6935 12.6935 13.1994 13.1994 13.2003 13.2003 k = 0.3590 0.2310 0.1708 ( 3508 PWs) bands (ev): -8.1612 -8.1612 -6.7040 -6.7040 -4.7158 -4.7158 -2.4998 -2.4998 -2.0903 -2.0903 -2.0902 -2.0902 -0.6877 -0.6877 -0.6865 -0.6865 0.0778 0.0778 1.8541 1.8541 2.2113 2.2113 2.2117 2.2117 3.5848 3.5848 3.7344 3.7344 3.7366 3.7366 5.4807 5.4807 5.8379 5.8379 5.8391 5.8391 6.1064 6.1064 6.1080 6.1080 6.8970 6.8970 6.9191 6.9191 6.9194 6.9194 7.1938 7.1938 9.7988 9.7988 9.8035 9.8035 12.7324 12.7324 13.2238 13.2238 13.2246 13.2246 k = 0.3462 0.2227 0.1647 ( 3508 PWs) bands (ev): -8.1869 -8.1869 -6.6670 -6.6670 -4.7307 -4.7307 -2.4545 -2.4545 -2.0897 -2.0897 -2.0896 -2.0896 -0.6528 -0.6528 -0.6517 -0.6517 0.0213 0.0213 1.9371 1.9371 2.1380 2.1380 2.1384 2.1384 3.5002 3.5002 3.6921 3.6921 3.6943 3.6943 5.4709 5.4709 5.9115 5.9115 5.9131 5.9131 6.1536 6.1536 6.1548 6.1548 6.8557 6.8557 6.8562 6.8562 6.8820 6.8820 7.1442 7.1442 9.8474 9.8474 9.8522 9.8522 12.7747 12.7747 13.2497 13.2497 13.2505 13.2505 k = 0.3333 0.2145 0.1586 ( 3508 PWs) bands (ev): -8.2129 -8.2129 -6.6286 -6.6286 -4.7467 -4.7467 -2.4061 -2.4061 -2.0888 -2.0888 -2.0887 -2.0887 -0.6157 -0.6157 -0.6146 -0.6146 -0.0320 -0.0320 2.0167 2.0167 2.0648 2.0648 2.0652 2.0652 3.4159 3.4159 3.6449 3.6449 3.6471 3.6471 5.4535 5.4535 5.9806 5.9806 5.9827 5.9827 6.2050 6.2050 6.2057 6.2057 6.7982 6.7982 6.7988 6.7988 6.8663 6.8663 7.0966 7.0966 9.8940 9.8940 9.8988 9.8988 12.8198 12.8198 13.2770 13.2770 13.2777 13.2777 k = 0.3205 0.2062 0.1525 ( 3514 PWs) bands (ev): -8.2390 -8.2390 -6.5892 -6.5892 -4.7638 -4.7638 -2.3550 -2.3550 -2.0875 -2.0875 -2.0874 -2.0874 -0.5765 -0.5765 -0.5753 -0.5753 -0.0819 -0.0819 1.9922 1.9922 1.9927 1.9927 2.0919 2.0919 3.3330 3.3330 3.5934 3.5934 3.5955 3.5955 5.4290 5.4290 6.0392 6.0392 6.0416 6.0416 6.2625 6.2625 6.2628 6.2628 6.7502 6.7502 6.7509 6.7509 6.8501 6.8501 7.0517 7.0517 9.9382 9.9382 9.9431 9.9431 12.8674 12.8674 13.3054 13.3054 13.3060 13.3060 k = 0.3077 0.1980 0.1464 ( 3508 PWs) bands (ev): -8.2650 -8.2650 -6.5487 -6.5487 -4.7819 -4.7819 -2.3013 -2.3013 -2.0857 -2.0857 -2.0856 -2.0856 -0.5353 -0.5353 -0.5342 -0.5342 -0.1284 -0.1284 1.9208 1.9208 1.9212 1.9212 2.1613 2.1613 3.2526 3.2526 3.5377 3.5377 3.5398 3.5398 5.3980 5.3980 6.0811 6.0811 6.0835 6.0835 6.3268 6.3268 6.3269 6.3269 6.7168 6.7168 6.7175 6.7175 6.8334 6.8334 7.0097 7.0097 9.9796 9.9796 9.9845 9.9845 12.9169 12.9169 13.3346 13.3346 13.3351 13.3351 k = 0.2949 0.1897 0.1403 ( 3505 PWs) bands (ev): -8.2908 -8.2908 -6.5075 -6.5075 -4.8011 -4.8011 -2.2453 -2.2453 -2.0835 -2.0835 -2.0834 -2.0834 -0.4924 -0.4924 -0.4913 -0.4913 -0.1716 -0.1716 1.8510 1.8510 1.8514 1.8514 2.2234 2.2234 3.1760 3.1760 3.4785 3.4785 3.4805 3.4805 5.3617 5.3617 6.1023 6.1023 6.1045 6.1045 6.3945 6.3945 6.3950 6.3950 6.7044 6.7044 6.7052 6.7052 6.8163 6.8163 6.9705 6.9705 10.0180 10.0180 10.0229 10.0229 12.9677 12.9677 13.3643 13.3643 13.3648 13.3648 k = 0.2821 0.1815 0.1342 ( 3499 PWs) bands (ev): -8.3162 -8.3162 -6.4657 -6.4657 -4.8213 -4.8213 -2.1872 -2.1872 -2.0809 -2.0809 -2.0807 -2.0807 -0.4480 -0.4480 -0.4469 -0.4469 -0.2112 -0.2112 1.7831 1.7831 1.7836 1.7836 2.2761 2.2761 3.1048 3.1048 3.4158 3.4158 3.4179 3.4179 5.3215 5.3215 6.1026 6.1026 6.1044 6.1044 6.4591 6.4591 6.4603 6.4603 6.7198 6.7198 6.7202 6.7202 6.7991 6.7991 6.9338 6.9338 10.0532 10.0532 10.0581 10.0581 13.0189 13.0189 13.3944 13.3944 13.3949 13.3949 k = 0.2692 0.1732 0.1281 ( 3517 PWs) bands (ev): -8.3411 -8.3411 -6.4233 -6.4233 -4.8425 -4.8425 -2.1274 -2.1274 -2.0778 -2.0778 -2.0776 -2.0776 -0.4024 -0.4024 -0.4013 -0.4013 -0.2474 -0.2474 1.7177 1.7177 1.7182 1.7182 2.3169 2.3169 3.0408 3.0408 3.3501 3.3501 3.3521 3.3521 5.2792 5.2792 6.0847 6.0847 6.0861 6.0861 6.5150 6.5150 6.5170 6.5170 6.7650 6.7650 6.7651 6.7651 6.7819 6.7819 6.8993 6.8993 10.0850 10.0850 10.0901 10.0901 13.0696 13.0696 13.4246 13.4246 13.4250 13.4250 k = 0.2564 0.1650 0.1220 ( 3526 PWs) bands (ev): -8.3654 -8.3654 -6.3805 -6.3805 -4.8647 -4.8647 -2.0743 -2.0743 -2.0741 -2.0741 -2.0660 -2.0660 -0.3557 -0.3557 -0.3546 -0.3546 -0.2800 -0.2800 1.6552 1.6552 1.6557 1.6557 2.3433 2.3433 2.9861 2.9861 3.2817 3.2817 3.2837 3.2837 5.2368 5.2368 6.0533 6.0533 6.0544 6.0544 6.5624 6.5624 6.5651 6.5651 6.7646 6.7646 6.8345 6.8345 6.8349 6.8349 6.8665 6.8665 10.1136 10.1136 10.1187 10.1187 13.1185 13.1185 13.4547 13.4547 13.4551 13.4551 k = 0.2436 0.1567 0.1159 ( 3544 PWs) bands (ev): -8.3890 -8.3890 -6.3374 -6.3374 -4.8880 -4.8880 -2.0703 -2.0703 -2.0701 -2.0701 -2.0033 -2.0033 -0.3094 -0.3094 -0.3080 -0.3080 -0.3072 -0.3072 1.5959 1.5959 1.5964 1.5964 2.3531 2.3531 2.9419 2.9419 3.2107 3.2107 3.2127 3.2127 5.1963 5.1963 6.0132 6.0132 6.0141 6.0141 6.6053 6.6053 6.6084 6.6084 6.7475 6.7475 6.8346 6.8346 6.9194 6.9194 6.9200 6.9200 10.1389 10.1389 10.1441 10.1441 13.1643 13.1643 13.4845 13.4845 13.4848 13.4848 k = 0.2308 0.1485 0.1098 ( 3529 PWs) bands (ev): -8.4118 -8.4118 -6.2940 -6.2940 -4.9123 -4.9123 -2.0659 -2.0659 -2.0658 -2.0658 -1.9398 -1.9398 -0.3349 -0.3349 -0.2604 -0.2604 -0.2594 -0.2594 1.5403 1.5403 1.5409 1.5409 2.3459 2.3459 2.9081 2.9081 3.1375 3.1375 3.1395 3.1395 5.1597 5.1597 5.9684 5.9684 5.9691 5.9691 6.6464 6.6464 6.6497 6.6497 6.7306 6.7306 6.8032 6.8032 7.0124 7.0124 7.0131 7.0131 10.1611 10.1611 10.1662 10.1662 13.2055 13.2055 13.5139 13.5139 13.5142 13.5142 k = 0.2179 0.1402 0.1037 ( 3529 PWs) bands (ev): -8.4336 -8.4336 -6.2504 -6.2504 -4.9375 -4.9375 -2.0612 -2.0612 -2.0610 -2.0610 -1.8756 -1.8756 -0.3573 -0.3573 -0.2126 -0.2126 -0.2116 -0.2116 1.4889 1.4889 1.4895 1.4895 2.3236 2.3236 2.8821 2.8821 3.0623 3.0623 3.0642 3.0642 5.1289 5.1289 5.9213 5.9213 5.9220 5.9220 6.6868 6.6868 6.6902 6.6902 6.7141 6.7141 6.7718 6.7718 7.1093 7.1093 7.1100 7.1100 10.1801 10.1801 10.1854 10.1854 13.2408 13.2408 13.5428 13.5428 13.5430 13.5430 k = 0.2051 0.1320 0.0976 ( 3523 PWs) bands (ev): -8.4546 -8.4546 -6.2067 -6.2067 -4.9638 -4.9638 -2.0562 -2.0562 -2.0560 -2.0560 -1.8111 -1.8111 -0.3764 -0.3764 -0.1651 -0.1651 -0.1641 -0.1641 1.4422 1.4422 1.4428 1.4428 2.2898 2.2898 2.8600 2.8600 2.9853 2.9853 2.9872 2.9872 5.1056 5.1056 5.8740 5.8740 5.8746 5.8746 6.6981 6.6981 6.7266 6.7266 6.7301 6.7301 6.7398 6.7398 7.2074 7.2074 7.2081 7.2081 10.1963 10.1963 10.2016 10.2016 13.2689 13.2689 13.5710 13.5710 13.5712 13.5712 k = 0.1923 0.1237 0.0915 ( 3529 PWs) bands (ev): -8.4745 -8.4745 -6.1629 -6.1629 -4.9912 -4.9912 -2.0509 -2.0509 -2.0507 -2.0507 -1.7468 -1.7468 -0.3924 -0.3924 -0.1185 -0.1185 -0.1176 -0.1176 1.4007 1.4007 1.4013 1.4013 2.2486 2.2486 2.8375 2.8375 2.9068 2.9068 2.9087 2.9087 5.0910 5.0910 5.8274 5.8274 5.8280 5.8280 6.6826 6.6826 6.7070 6.7070 6.7656 6.7656 6.7691 6.7691 7.3052 7.3052 7.3060 7.3060 10.2098 10.2098 10.2150 10.2150 13.2889 13.2889 13.5985 13.5985 13.5987 13.5987 k = 0.1795 0.1155 0.0854 ( 3517 PWs) bands (ev): -8.4933 -8.4933 -6.1191 -6.1191 -5.0195 -5.0195 -2.0454 -2.0454 -2.0452 -2.0452 -1.6831 -1.6831 -0.4054 -0.4054 -0.0734 -0.0734 -0.0725 -0.0725 1.3651 1.3651 1.3657 1.3657 2.2038 2.2038 2.8112 2.8112 2.8270 2.8270 2.8288 2.8288 5.0860 5.0860 5.7825 5.7825 5.7831 5.7831 6.6677 6.6677 6.6730 6.6730 6.8035 6.8035 6.8071 6.8071 7.4016 7.4016 7.4023 7.4023 10.2207 10.2207 10.2260 10.2260 13.3006 13.3006 13.6252 13.6252 13.6254 13.6254 k = 0.1667 0.1072 0.0793 ( 3517 PWs) bands (ev): -8.5111 -8.5111 -6.0754 -6.0754 -5.0487 -5.0487 -2.0398 -2.0398 -2.0396 -2.0396 -1.6204 -1.6204 -0.4157 -0.4157 -0.0302 -0.0302 -0.0294 -0.0294 1.3358 1.3358 1.3365 1.3365 2.1582 2.1582 2.7461 2.7461 2.7479 2.7479 2.7792 2.7792 5.0906 5.0906 5.7397 5.7397 5.7403 5.7403 6.6377 6.6377 6.6535 6.6535 6.8401 6.8401 6.8436 6.8436 7.4955 7.4955 7.4962 7.4962 10.2293 10.2293 10.2347 10.2347 13.3043 13.3043 13.6512 13.6512 13.6513 13.6513 k = 0.1538 0.0990 0.0732 ( 3511 PWs) bands (ev): -8.5277 -8.5277 -6.0318 -6.0318 -5.0789 -5.0789 -2.0341 -2.0341 -2.0339 -2.0339 -1.5591 -1.5591 -0.4235 -0.4235 0.0103 0.0103 0.0112 0.0112 1.3137 1.3137 1.3144 1.3144 2.1140 2.1140 2.6645 2.6645 2.6663 2.6663 2.7405 2.7405 5.1046 5.1046 5.6995 5.6995 5.7001 5.7001 6.6009 6.6009 6.6401 6.6401 6.8750 6.8750 6.8786 6.8786 7.5861 7.5861 7.5868 7.5868 10.2359 10.2359 10.2413 10.2413 13.3010 13.3010 13.6763 13.6763 13.6765 13.6765 k = 0.1410 0.0907 0.0671 ( 3517 PWs) bands (ev): -8.5431 -8.5431 -5.9884 -5.9884 -5.1100 -5.1100 -2.0285 -2.0285 -2.0283 -2.0283 -1.4999 -1.4999 -0.4290 -0.4290 0.0477 0.0477 0.0485 0.0485 1.2991 1.2991 1.2999 1.2999 2.0727 2.0727 2.5823 2.5823 2.5841 2.5841 2.6952 2.6952 5.1274 5.1274 5.6620 5.6620 5.6626 5.6626 6.5627 6.5627 6.6275 6.6275 6.9081 6.9081 6.9117 6.9117 7.6728 7.6728 7.6735 7.6735 10.2406 10.2406 10.2460 10.2460 13.2919 13.2919 13.7006 13.7006 13.7007 13.7007 k = 0.1282 0.0825 0.0610 ( 3523 PWs) bands (ev): -8.5572 -8.5572 -5.9451 -5.9451 -5.1420 -5.1420 -2.0229 -2.0229 -2.0227 -2.0227 -1.4431 -1.4431 -0.4326 -0.4326 0.0814 0.0814 0.0821 0.0821 1.2927 1.2927 1.2934 1.2934 2.0357 2.0357 2.4999 2.4999 2.5016 2.5016 2.6440 2.6440 5.1577 5.1577 5.6276 5.6276 5.6281 5.6281 6.5230 6.5230 6.6158 6.6158 6.9391 6.9391 6.9427 6.9427 7.7548 7.7548 7.7555 7.7555 10.2438 10.2438 10.2492 10.2492 13.2784 13.2784 13.7239 13.7239 13.7240 13.7240 k = 0.1154 0.0742 0.0549 ( 3529 PWs) bands (ev): -8.5701 -8.5701 -5.9021 -5.9021 -5.1748 -5.1748 -2.0176 -2.0176 -2.0174 -2.0174 -1.3893 -1.3893 -0.4345 -0.4345 0.1109 0.1109 0.1116 0.1116 1.2947 1.2947 1.2955 1.2955 2.0040 2.0040 2.4176 2.4176 2.4193 2.4193 2.5879 2.5879 5.1943 5.1943 5.5962 5.5962 5.5967 5.5967 6.4821 6.4821 6.6051 6.6051 6.9678 6.9678 6.9714 6.9714 7.8315 7.8315 7.8321 7.8321 10.2456 10.2456 10.2511 10.2511 13.2620 13.2620 13.7462 13.7462 13.7463 13.7463 k = 0.1026 0.0660 0.0488 ( 3517 PWs) bands (ev): -8.5817 -8.5817 -5.8595 -5.8595 -5.2084 -5.2084 -2.0125 -2.0125 -2.0123 -2.0123 -1.3391 -1.3391 -0.4352 -0.4352 0.1361 0.1361 0.1368 0.1368 1.3053 1.3053 1.3061 1.3061 1.9783 1.9783 2.3357 2.3357 2.3374 2.3374 2.5283 2.5283 5.2357 5.2357 5.5680 5.5680 5.5686 5.5686 6.4404 6.4404 6.5953 6.5953 6.9941 6.9941 6.9976 6.9976 7.9021 7.9021 7.9028 7.9028 10.2464 10.2464 10.2519 10.2519 13.2441 13.2441 13.7673 13.7673 13.7675 13.7675 k = 0.0897 0.0577 0.0427 ( 3517 PWs) bands (ev): -8.5920 -8.5920 -5.8173 -5.8173 -5.2426 -5.2426 -2.0078 -2.0078 -2.0076 -2.0076 -1.2931 -1.2931 -0.4349 -0.4349 0.1570 0.1570 0.1576 0.1576 1.3242 1.3242 1.3251 1.3251 1.9593 1.9593 2.2547 2.2547 2.2564 2.2564 2.4667 2.4667 5.2803 5.2803 5.5430 5.5430 5.5436 5.5436 6.3982 6.3982 6.5866 6.5866 7.0177 7.0177 7.0212 7.0212 7.9662 7.9662 7.9669 7.9669 10.2464 10.2464 10.2519 10.2519 13.2257 13.2257 13.7871 13.7871 13.7872 13.7872 k = 0.0769 0.0495 0.0366 ( 3499 PWs) bands (ev): -8.6010 -8.6010 -5.7756 -5.7756 -5.2773 -5.2773 -2.0035 -2.0035 -2.0033 -2.0033 -1.2517 -1.2517 -0.4340 -0.4340 0.1737 0.1737 0.1743 0.1743 1.3510 1.3510 1.3519 1.3519 1.9474 1.9474 2.1750 2.1750 2.1768 2.1768 2.4045 2.4045 5.3262 5.3262 5.5214 5.5214 5.5219 5.5219 6.3564 6.3564 6.5790 6.5790 7.0384 7.0384 7.0420 7.0420 8.0231 8.0231 8.0238 8.0238 10.2458 10.2458 10.2513 10.2513 13.2080 13.2080 13.8052 13.8052 13.8054 13.8054 k = 0.0641 0.0412 0.0305 ( 3493 PWs) bands (ev): -8.6086 -8.6086 -5.7347 -5.7347 -5.3123 -5.3123 -1.9997 -1.9997 -1.9995 -1.9995 -1.2156 -1.2156 -0.4328 -0.4328 0.1865 0.1865 0.1871 0.1871 1.3848 1.3848 1.3858 1.3858 1.9428 1.9428 2.0974 2.0974 2.0992 2.0992 2.3434 2.3434 5.3716 5.3716 5.5030 5.5030 5.5036 5.5036 6.3159 6.3159 6.5725 6.5725 7.0562 7.0562 7.0598 7.0598 8.0723 8.0723 8.0730 8.0730 10.2449 10.2449 10.2504 10.2504 13.1917 13.1917 13.8214 13.8214 13.8216 13.8216 k = 0.0513 0.0330 0.0244 ( 3487 PWs) bands (ev): -8.6148 -8.6148 -5.6949 -5.6949 -5.3473 -5.3473 -1.9965 -1.9965 -1.9963 -1.9963 -1.1852 -1.1852 -0.4314 -0.4314 0.1961 0.1961 0.1967 0.1967 1.4243 1.4243 1.4252 1.4252 1.9455 1.9455 2.0229 2.0229 2.0247 2.0247 2.2848 2.2848 5.4144 5.4144 5.4880 5.4880 5.4886 5.4886 6.2781 6.2781 6.5672 6.5672 7.0710 7.0710 7.0745 7.0745 8.1133 8.1133 8.1140 8.1140 10.2438 10.2438 10.2493 10.2493 13.1775 13.1775 13.8354 13.8354 13.8355 13.8355 k = 0.0385 0.0247 0.0183 ( 3493 PWs) bands (ev): -8.6197 -8.6197 -5.6569 -5.6569 -5.3816 -5.3816 -1.9940 -1.9940 -1.9938 -1.9938 -1.1610 -1.1610 -0.4302 -0.4302 0.2029 0.2029 0.2034 0.2034 1.4672 1.4672 1.4681 1.4681 1.9532 1.9532 1.9546 1.9546 1.9550 1.9550 2.2308 2.2308 5.4522 5.4522 5.4763 5.4763 5.4769 5.4769 6.2449 6.2449 6.5630 6.5630 7.0826 7.0826 7.0861 7.0861 8.1457 8.1457 8.1464 8.1464 10.2427 10.2427 10.2483 10.2483 13.1660 13.1660 13.8467 13.8467 13.8468 13.8468 k = 0.0256 0.0165 0.0122 ( 3501 PWs) bands (ev): -8.6232 -8.6232 -5.6222 -5.6222 -5.4136 -5.4136 -1.9922 -1.9922 -1.9919 -1.9919 -1.1434 -1.1434 -0.4293 -0.4293 0.2074 0.2074 0.2079 0.2079 1.5101 1.5101 1.5109 1.5109 1.8915 1.8915 1.8934 1.8934 1.9686 1.9686 2.1840 2.1840 5.4678 5.4678 5.4685 5.4685 5.4824 5.4824 6.2184 6.2184 6.5600 6.5600 7.0909 7.0909 7.0944 7.0944 8.1690 8.1690 8.1697 8.1697 10.2419 10.2419 10.2474 10.2474 13.1574 13.1574 13.8551 13.8551 13.8552 13.8552 k = 0.0128 0.0082 0.0061 ( 3501 PWs) bands (ev): -8.6253 -8.6253 -5.5947 -5.5947 -5.4395 -5.4395 -1.9911 -1.9911 -1.9908 -1.9908 -1.1327 -1.1327 -0.4287 -0.4287 0.2099 0.2099 0.2104 0.2104 1.5454 1.5454 1.5461 1.5461 1.8450 1.8450 1.8470 1.8470 1.9832 1.9832 2.1495 2.1495 5.4628 5.4628 5.4635 5.4635 5.5018 5.5018 6.2012 6.2012 6.5582 6.5582 7.0959 7.0959 7.0994 7.0994 8.1831 8.1831 8.1839 8.1839 10.2413 10.2413 10.2468 10.2468 13.1522 13.1522 13.8602 13.8602 13.8604 13.8604 k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -8.6260 -8.6260 -5.5832 -5.5832 -5.4505 -5.4505 -1.9907 -1.9907 -1.9904 -1.9904 -1.1291 -1.1291 -0.4284 -0.4284 0.2107 0.2107 0.2112 0.2112 1.5602 1.5602 1.5609 1.5609 1.8266 1.8266 1.8286 1.8286 1.9901 1.9901 2.1359 2.1359 5.4612 5.4612 5.4618 5.4618 5.5086 5.5086 6.1952 6.1952 6.5576 6.5576 7.0976 7.0976 7.1011 7.1011 8.1879 8.1879 8.1886 8.1886 10.2411 10.2411 10.2466 10.2466 13.1505 13.1505 13.8620 13.8620 13.8621 13.8621 k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -8.6260 -8.6260 -5.5832 -5.5832 -5.4505 -5.4505 -1.9907 -1.9907 -1.9904 -1.9904 -1.1291 -1.1291 -0.4284 -0.4284 0.2107 0.2107 0.2112 0.2112 1.5602 1.5602 1.5609 1.5609 1.8266 1.8266 1.8286 1.8286 1.9901 1.9901 2.1359 2.1359 5.4612 5.4612 5.4618 5.4618 5.5086 5.5086 6.1952 6.1952 6.5576 6.5576 7.0976 7.0976 7.1011 7.1011 8.1879 8.1879 8.1886 8.1886 10.2411 10.2411 10.2466 10.2466 13.1505 13.1505 13.8620 13.8620 13.8621 13.8621 k = 0.0088-0.0040-0.0131 ( 3495 PWs) bands (ev): -8.6254 -8.6254 -5.5842 -5.5842 -5.4510 -5.4510 -1.9919 -1.9919 -1.9915 -1.9915 -1.1306 -1.1306 -0.4273 -0.4273 0.2130 0.2130 0.2141 0.2141 1.5494 1.5494 1.5500 1.5500 1.8221 1.8221 1.8391 1.8391 2.0084 2.0084 2.1411 2.1411 5.4518 5.4518 5.4614 5.4614 5.5081 5.5081 6.2031 6.2031 6.5490 6.5490 7.0949 7.0949 7.1033 7.1033 8.1867 8.1867 8.1881 8.1881 10.2392 10.2392 10.2453 10.2453 13.1536 13.1536 13.8615 13.8615 13.8660 13.8660 k = 0.0176-0.0080-0.0261 ( 3495 PWs) bands (ev): -8.6237 -8.6237 -5.5872 -5.5872 -5.4522 -5.4522 -1.9957 -1.9957 -1.9943 -1.9943 -1.1350 -1.1350 -0.4240 -0.4240 0.2194 0.2194 0.2234 0.2234 1.5195 1.5195 1.5221 1.5221 1.8132 1.8132 1.8681 1.8681 2.0538 2.0538 2.1572 2.1572 5.4241 5.4241 5.4612 5.4612 5.5069 5.5069 6.2252 6.2252 6.5243 6.5243 7.0832 7.0832 7.1127 7.1127 8.1823 8.1823 8.1874 8.1874 10.2316 10.2316 10.2433 10.2433 13.1631 13.1631 13.8598 13.8598 13.8780 13.8780 k = 0.0264-0.0120-0.0392 ( 3493 PWs) bands (ev): -8.6209 -8.6209 -5.5922 -5.5922 -5.4544 -5.4544 -2.0019 -2.0019 -1.9989 -1.9989 -1.1423 -1.1423 -0.4187 -0.4187 0.2297 0.2297 0.2391 0.2391 1.4753 1.4753 1.4863 1.4863 1.8080 1.8080 1.9058 1.9058 2.1131 2.1131 2.1845 2.1845 5.3817 5.3817 5.4608 5.4608 5.5049 5.5049 6.2582 6.2582 6.4860 6.4860 7.0634 7.0634 7.1265 7.1265 8.1748 8.1748 8.1863 8.1863 10.2177 10.2177 10.2414 10.2414 13.1786 13.1786 13.8571 13.8571 13.8977 13.8977 k = 0.0352-0.0160-0.0522 ( 3497 PWs) bands (ev): -8.6169 -8.6169 -5.5991 -5.5991 -5.4574 -5.4574 -2.0105 -2.0105 -2.0052 -2.0052 -1.1524 -1.1524 -0.4116 -0.4116 0.2439 0.2439 0.2610 0.2610 1.4230 1.4230 1.4481 1.4481 1.8081 1.8081 1.9460 1.9460 2.1790 2.1790 2.2235 2.2235 5.3284 5.3284 5.4604 5.4604 5.5021 5.5021 6.2976 6.2976 6.4375 6.4375 7.0357 7.0357 7.1418 7.1418 8.1644 8.1644 8.1848 8.1848 10.1982 10.1982 10.2391 10.2391 13.1999 13.1999 13.8536 13.8536 13.9247 13.9247 k = 0.0439-0.0200-0.0653 ( 3497 PWs) bands (ev): -8.6118 -8.6118 -5.6079 -5.6079 -5.4612 -5.4612 -2.0211 -2.0211 -2.0130 -2.0130 -1.1653 -1.1653 -0.4030 -0.4030 0.2614 0.2614 0.2892 0.2892 1.3669 1.3669 1.4106 1.4106 1.8124 1.8124 1.9859 1.9859 2.2478 2.2478 2.2736 2.2736 5.2679 5.2679 5.4600 5.4600 5.4986 5.4986 6.3337 6.3337 6.3880 6.3880 7.0006 7.0006 7.1566 7.1566 8.1510 8.1510 8.1827 8.1827 10.1737 10.1737 10.2362 10.2362 13.2263 13.2263 13.8494 13.8494 13.9584 13.9584 k = 0.0527-0.0240-0.0784 ( 3507 PWs) bands (ev): -8.6057 -8.6057 -5.6185 -5.6185 -5.4659 -5.4659 -2.0336 -2.0336 -2.0222 -2.0222 -1.1809 -1.1809 -0.3934 -0.3934 0.2821 0.2821 0.3236 0.3236 1.3097 1.3097 1.3756 1.3756 1.8203 1.8203 2.0251 2.0251 2.3169 2.3169 2.3333 2.3333 5.2030 5.2030 5.4597 5.4597 5.4945 5.4945 6.3039 6.3039 6.3994 6.3994 6.9581 6.9581 7.1693 7.1693 8.1347 8.1347 8.1802 8.1802 10.1446 10.1446 10.2327 10.2327 13.2575 13.2575 13.8447 13.8447 13.9979 13.9979 k = 0.0615-0.0280-0.0914 ( 3507 PWs) bands (ev): -8.5984 -8.5984 -5.6308 -5.6308 -5.4715 -5.4715 -2.0476 -2.0476 -2.0327 -2.0327 -1.1990 -1.1990 -0.3829 -0.3829 0.3054 0.3054 0.3642 0.3642 1.2533 1.2533 1.3442 1.3442 1.8310 1.8310 2.0644 2.0644 2.3846 2.3846 2.4006 2.4006 5.1363 5.1363 5.4596 5.4596 5.4897 5.4897 6.2374 6.2374 6.4419 6.4419 6.9087 6.9087 7.1791 7.1791 8.1153 8.1153 8.1770 8.1770 10.1113 10.1113 10.2286 10.2286 13.2929 13.2929 13.8396 13.8396 14.0422 14.0422 k = 0.0703-0.0320-0.1045 ( 3515 PWs) bands (ev): -8.5902 -8.5902 -5.6447 -5.6447 -5.4780 -5.4780 -2.0629 -2.0629 -2.0442 -2.0442 -1.2197 -1.2197 -0.3719 -0.3719 0.3309 0.3309 0.4107 0.4107 1.1989 1.1989 1.3170 1.3170 1.8442 1.8442 2.1049 2.1049 2.4492 2.4492 2.4736 2.4736 5.0699 5.0699 5.4600 5.4600 5.4844 5.4844 6.1650 6.1650 6.4844 6.4844 6.8528 6.8528 7.1856 7.1856 8.0930 8.0930 8.1731 8.1731 10.0744 10.0744 10.2239 10.2239 13.3318 13.3318 13.8343 13.8343 14.0897 14.0897 k = 0.0791-0.0360-0.1175 ( 3519 PWs) bands (ev): -8.5809 -8.5809 -5.6600 -5.6600 -5.4853 -5.4853 -2.0791 -2.0791 -2.0567 -2.0567 -1.2426 -1.2426 -0.3606 -0.3606 0.3582 0.3582 0.4627 0.4627 1.1474 1.1474 1.2943 1.2943 1.8598 1.8598 2.1476 2.1476 2.5090 2.5090 2.5508 2.5508 5.0060 5.0060 5.4609 5.4609 5.4785 5.4785 6.0896 6.0896 6.5235 6.5235 6.7907 6.7907 7.1888 7.1888 8.0678 8.0678 8.1685 8.1685 10.0342 10.0342 10.2186 10.2186 13.3738 13.3738 13.8286 13.8286 14.1387 14.1387 k = 0.0879-0.0400-0.1306 ( 3519 PWs) bands (ev): -8.5706 -8.5706 -5.6765 -5.6765 -5.4935 -5.4935 -2.0961 -2.0961 -2.0699 -2.0699 -1.2676 -1.2676 -0.3492 -0.3492 0.3870 0.3870 0.5198 0.5198 1.0997 1.0997 1.2764 1.2764 1.8775 1.8775 2.1930 2.1930 2.5624 2.5624 2.6306 2.6306 4.9464 4.9464 5.4626 5.4626 5.4723 5.4723 6.0124 6.0124 6.5572 6.5572 6.7229 6.7229 7.1892 7.1892 8.0396 8.0396 8.1632 8.1632 9.9913 9.9913 10.2127 10.2127 13.4183 13.4183 13.8227 13.8227 14.1871 14.1871 k = 0.0967-0.0440-0.1437 ( 3523 PWs) bands (ev): -8.5594 -8.5594 -5.6943 -5.6943 -5.5026 -5.5026 -2.1136 -2.1136 -2.0838 -2.0838 -1.2945 -1.2945 -0.3379 -0.3379 0.4168 0.4168 0.5812 0.5812 1.0566 1.0566 1.2633 1.2633 1.8973 1.8973 2.2417 2.2417 2.6076 2.6076 2.7122 2.7122 4.8932 4.8932 5.4644 5.4644 5.4666 5.4666 5.9343 5.9343 6.5842 6.5842 6.6498 6.6498 7.1874 7.1874 8.0084 8.0084 8.1570 8.1570 9.9460 9.9460 10.2062 10.2062 13.4647 13.4647 13.8162 13.8162 14.2325 14.2325 k = 0.1055-0.0480-0.1567 ( 3515 PWs) bands (ev): -8.5473 -8.5473 -5.7130 -5.7130 -5.5125 -5.5125 -2.1312 -2.1312 -2.0984 -2.0984 -1.3231 -1.3231 -0.3267 -0.3267 0.4474 0.4474 0.6456 0.6456 1.0195 1.0195 1.2551 1.2551 1.9190 1.9190 2.2940 2.2940 2.6429 2.6429 2.7946 2.7946 4.8485 4.8485 5.4581 5.4581 5.4699 5.4699 5.8558 5.8558 6.5721 6.5721 6.6031 6.6031 7.1843 7.1843 7.9744 7.9744 8.1500 8.1500 9.8989 9.8989 10.1990 10.1990 13.5125 13.5125 13.8089 13.8089 14.2724 14.2724 k = 0.1143-0.0520-0.1698 ( 3515 PWs) bands (ev): -8.5343 -8.5343 -5.7326 -5.7326 -5.5233 -5.5233 -2.1489 -2.1489 -2.1135 -2.1135 -1.3531 -1.3531 -0.3156 -0.3156 0.4787 0.4787 0.7103 0.7103 0.9909 0.9909 1.2514 1.2514 1.9426 1.9426 2.3501 2.3501 2.6665 2.6665 2.8769 2.8769 4.8140 4.8140 5.4504 5.4504 5.4758 5.4758 5.7776 5.7776 6.4904 6.4904 6.6125 6.6125 7.1808 7.1808 7.9375 7.9375 8.1421 8.1421 9.8504 9.8504 10.1913 10.1913 13.5610 13.5610 13.8005 13.8005 14.3044 14.3044 k = 0.1230-0.0560-0.1828 ( 3517 PWs) bands (ev): -8.5206 -8.5206 -5.7528 -5.7528 -5.5350 -5.5350 -2.1664 -2.1664 -2.1292 -2.1292 -1.3843 -1.3843 -0.3046 -0.3046 0.5104 0.5104 0.7689 0.7689 0.9770 0.9770 1.2522 1.2522 1.9679 1.9679 2.4101 2.4101 2.6773 2.6773 2.9584 2.9584 4.7912 4.7912 5.4420 5.4420 5.4839 5.4839 5.7001 5.7001 6.4053 6.4053 6.6117 6.6117 7.1775 7.1775 7.8977 7.8977 8.1333 8.1333 9.8009 9.8009 10.1831 10.1831 13.6096 13.6096 13.7905 13.7905 14.3267 14.3267 k = 0.1318-0.0600-0.1959 ( 3521 PWs) bands (ev): -8.5061 -8.5061 -5.7734 -5.7734 -5.5475 -5.5475 -2.1838 -2.1838 -2.1454 -2.1454 -1.4162 -1.4162 -0.2936 -0.2936 0.5427 0.5427 0.8078 0.8078 0.9909 0.9909 1.2570 1.2570 1.9946 1.9946 2.4738 2.4738 2.6745 2.6745 3.0384 3.0384 4.7810 4.7810 5.4328 5.4328 5.4945 5.4945 5.6240 5.6240 6.3175 6.3175 6.6001 6.6001 7.1747 7.1747 7.8550 7.8550 8.1237 8.1237 9.7508 9.7508 10.1743 10.1743 13.6571 13.6571 13.7784 13.7784 14.3391 14.3391 k = 0.1406-0.0640-0.2089 ( 3523 PWs) bands (ev): -8.4910 -8.4910 -5.7944 -5.7944 -5.5608 -5.5608 -2.2008 -2.2008 -2.1622 -2.1622 -1.4485 -1.4485 -0.2826 -0.2826 0.5754 0.5754 0.8191 0.8191 1.0403 1.0403 1.2655 1.2655 2.0224 2.0224 2.5414 2.5414 2.6583 2.6583 3.1162 3.1162 4.7837 4.7837 5.4223 5.4223 5.5081 5.5081 5.5497 5.5497 6.2282 6.2282 6.5779 6.5779 7.1724 7.1724 7.8097 7.8097 8.1132 8.1132 9.7006 9.7006 10.1649 10.1649 13.7025 13.7025 13.7636 13.7636 14.3427 14.3427 k = 0.1494-0.0680-0.2220 ( 3527 PWs) bands (ev): -8.4752 -8.4752 -5.8155 -5.8155 -5.5749 -5.5749 -2.2175 -2.2175 -2.1795 -2.1795 -1.4809 -1.4809 -0.2713 -0.2713 0.6087 0.6087 0.8150 0.8150 1.1123 1.1123 1.2774 1.2774 2.0506 2.0506 2.6125 2.6125 2.6298 2.6298 3.1911 3.1911 4.7983 4.7983 5.4099 5.4099 5.4781 5.4781 5.5250 5.5250 6.1384 6.1384 6.5459 6.5459 7.1698 7.1698 7.7616 7.7616 8.1018 8.1018 9.6508 9.6508 10.1551 10.1551 13.7439 13.7439 13.7456 13.7456 14.3400 14.3400 k = 0.1582-0.0720-0.2351 ( 3521 PWs) bands (ev): -8.4589 -8.4589 -5.8365 -5.8365 -5.5897 -5.5897 -2.2338 -2.2338 -2.1974 -2.1974 -1.5129 -1.5129 -0.2596 -0.2596 0.6426 0.6426 0.8068 0.8068 1.1952 1.1952 1.2921 1.2921 2.0779 2.0779 2.5915 2.5915 2.6872 2.6872 3.2624 3.2624 4.8230 4.8230 5.3947 5.3947 5.4103 5.4103 5.5458 5.5458 6.0497 6.0497 6.5048 6.5048 7.1662 7.1662 7.7109 7.7109 8.0893 8.0893 9.6017 9.6017 10.1448 10.1448 13.7236 13.7236 13.7793 13.7793 14.3350 14.3350 k = 0.1670-0.0760-0.2481 ( 3527 PWs) bands (ev): -8.4422 -8.4422 -5.8573 -5.8573 -5.6053 -5.6053 -2.2500 -2.2500 -2.2159 -2.2159 -1.5441 -1.5441 -0.2472 -0.2472 0.6774 0.6774 0.7990 0.7990 1.2834 1.2834 1.3094 1.3094 2.1019 2.1019 2.5474 2.5474 2.7649 2.7649 3.3295 3.3295 4.8546 4.8546 5.3482 5.3482 5.3750 5.3750 5.5708 5.5708 5.9644 5.9644 6.4560 6.4560 7.1607 7.1607 7.6576 7.6576 8.0758 8.0758 9.5540 9.5540 10.1341 10.1341 13.6970 13.6970 13.8055 13.8055 14.3321 14.3321 k = 0.1758-0.0800-0.2612 ( 3525 PWs) bands (ev): -8.4251 -8.4251 -5.8776 -5.8776 -5.6216 -5.6216 -2.2662 -2.2662 -2.2351 -2.2351 -1.5741 -1.5741 -0.2341 -0.2341 0.7132 0.7132 0.7933 0.7933 1.3288 1.3288 1.3747 1.3747 2.1178 2.1178 2.5043 2.5043 2.8456 2.8456 3.3918 3.3918 4.8877 4.8877 5.2957 5.2957 5.3488 5.3488 5.6001 5.6001 5.8852 5.8852 6.4004 6.4004 7.1526 7.1526 7.6020 7.6020 8.0610 8.0610 9.5081 9.5081 10.1231 10.1231 13.6653 13.6653 13.8196 13.8196 14.3356 14.3356 k = 0.1846-0.0840-0.2742 ( 3525 PWs) bands (ev): -8.4077 -8.4077 -5.8973 -5.8973 -5.6385 -5.6385 -2.2824 -2.2824 -2.2549 -2.2549 -1.6023 -1.6023 -0.2198 -0.2198 0.7500 0.7500 0.7900 0.7900 1.3499 1.3499 1.4677 1.4677 2.1176 2.1176 2.4723 2.4723 2.9288 2.9288 3.4488 3.4488 4.9134 4.9134 5.2599 5.2599 5.3130 5.3130 5.6336 5.6336 5.8162 5.8162 6.3393 6.3393 7.1411 7.1411 7.5440 7.5440 8.0448 8.0448 9.4646 9.4646 10.1117 10.1117 13.6275 13.6275 13.8196 13.8196 14.3488 14.3488 k = 0.1934-0.0880-0.2873 ( 3531 PWs) bands (ev): -8.3902 -8.3902 -5.9162 -5.9162 -5.6560 -5.6560 -2.2990 -2.2990 -2.2754 -2.2754 -1.6283 -1.6283 -0.2041 -0.2041 0.7881 0.7881 0.7889 0.7889 1.3725 1.3725 1.5612 1.5612 2.0928 2.0928 2.4620 2.4620 3.0142 3.0142 3.5000 3.5000 4.9200 4.9200 5.2509 5.2509 5.2652 5.2652 5.6688 5.6688 5.7631 5.7631 6.2737 6.2737 7.1260 7.1260 7.4839 7.4839 8.0269 8.0269 9.4241 9.4241 10.1000 10.1000 13.5831 13.5831 13.8053 13.8053 14.3724 14.3724 k = 0.2021-0.0920-0.3004 ( 3519 PWs) bands (ev): -8.3725 -8.3725 -5.9342 -5.9342 -5.6740 -5.6740 -2.3162 -2.3162 -2.2966 -2.2966 -1.6516 -1.6516 -0.1869 -0.1869 0.7897 0.7897 0.8275 0.8275 1.3962 1.3962 1.6545 1.6545 2.0427 2.0427 2.4762 2.4762 3.1013 3.1013 3.5453 3.5453 4.9015 4.9015 5.2040 5.2040 5.2729 5.2729 5.6871 5.6871 5.7465 5.7465 6.2046 6.2046 7.1069 7.1069 7.4219 7.4219 8.0070 8.0070 9.3871 9.3871 10.0881 10.0881 13.5315 13.5315 13.7786 13.7786 14.3961 14.3961 k = 0.2109-0.0960-0.3134 ( 3523 PWs) bands (ev): -8.3548 -8.3548 -5.9510 -5.9510 -5.6925 -5.6925 -2.3341 -2.3341 -2.3184 -2.3184 -1.6718 -1.6718 -0.1680 -0.1680 0.7918 0.7918 0.8682 0.8682 1.4209 1.4209 1.7465 1.7465 1.9748 1.9748 2.5099 2.5099 3.1894 3.1894 3.5844 3.5844 4.8636 4.8636 5.1305 5.1305 5.3186 5.3186 5.6711 5.6711 5.7830 5.7830 6.1333 6.1333 7.0837 7.0837 7.3582 7.3582 7.9850 7.9850 9.3540 9.3540 10.0760 10.0760 13.4723 13.4723 13.7420 13.7420 14.3035 14.3035 k = 0.2197-0.1000-0.3265 ( 3519 PWs) bands (ev): -8.3372 -8.3372 -5.9667 -5.9667 -5.7114 -5.7114 -2.3532 -2.3532 -2.3408 -2.3408 -1.6886 -1.6886 -0.1472 -0.1472 0.7941 0.7941 0.9105 0.9105 1.4462 1.4462 1.8350 1.8350 1.8988 1.8988 2.5567 2.5567 3.2778 3.2778 3.6176 3.6176 4.8151 4.8151 5.0474 5.0474 5.3772 5.3772 5.6559 5.6559 5.8354 5.8354 6.0609 6.0609 7.0565 7.0565 7.2931 7.2931 7.9608 7.9608 9.3255 9.3255 10.0638 10.0638 13.4053 13.4053 13.6981 13.6981 14.2196 14.2196 k = 0.2285-0.1040-0.3395 ( 3525 PWs) bands (ev): -8.3198 -8.3198 -5.9809 -5.9809 -5.7306 -5.7306 -2.3734 -2.3734 -2.3637 -2.3637 -1.7015 -1.7015 -0.1244 -0.1244 0.7954 0.7954 0.9541 0.9541 1.4720 1.4720 1.8121 1.8121 1.9280 1.9280 2.6128 2.6128 3.3653 3.3653 3.6456 3.6456 4.7614 4.7614 4.9580 4.9580 5.4414 5.4414 5.6480 5.6480 5.8939 5.8939 5.9892 5.9892 7.0253 7.0253 7.2271 7.2271 7.9342 7.9342 9.3017 9.3017 10.0516 10.0516 13.3309 13.3309 13.6489 13.6489 14.1445 14.1445 k = 0.2373-0.1080-0.3526 ( 3527 PWs) bands (ev): -8.3027 -8.3027 -5.9935 -5.9935 -5.7501 -5.7501 -2.3948 -2.3948 -2.3872 -2.3872 -1.7104 -1.7104 -0.0996 -0.0996 0.7942 0.7942 0.9993 0.9993 1.4982 1.4982 1.7318 1.7318 2.0127 2.0127 2.6757 2.6757 3.4496 3.4496 3.6699 3.6699 4.7052 4.7052 4.8651 4.8651 5.5052 5.5052 5.6466 5.6466 5.9207 5.9207 5.9564 5.9564 6.9905 6.9905 7.1605 7.1605 7.9054 7.9054 9.2830 9.2830 10.0394 10.0394 13.2499 13.2499 13.5959 13.5959 14.0785 14.0785 k = 0.2461-0.1120-0.3657 ( 3523 PWs) bands (ev): -8.2860 -8.2860 -6.0046 -6.0046 -5.7698 -5.7698 -2.4176 -2.4176 -2.4111 -2.4111 -1.7153 -1.7153 -0.0727 -0.0727 0.7884 0.7884 1.0460 1.0460 1.5246 1.5246 1.6553 1.6553 2.0949 2.0949 2.7441 2.7441 3.5254 3.5254 3.6949 3.6949 4.6478 4.6478 4.7713 4.7713 5.5615 5.5615 5.6506 5.6506 5.8610 5.8610 6.0216 6.0216 6.9521 6.9521 7.0944 7.0944 7.8746 7.8746 9.2697 9.2697 10.0273 10.0273 13.1634 13.1634 13.5403 13.5403 14.0211 14.0211 k = 0.2549-0.1160-0.3787 ( 3525 PWs) bands (ev): -8.2697 -8.2697 -6.0138 -6.0138 -5.7896 -5.7896 -2.4417 -2.4417 -2.4354 -2.4354 -1.7160 -1.7160 -0.0441 -0.0441 0.7757 0.7757 1.0940 1.0940 1.5511 1.5511 1.5869 1.5869 2.1742 2.1742 2.8163 2.8163 3.5817 3.5817 3.7309 3.7309 4.5897 4.5897 4.6788 4.6788 5.5964 5.5964 5.6590 5.6590 5.8231 5.8231 6.0877 6.0877 6.9106 6.9106 7.0296 7.0296 7.8423 7.8423 9.2617 9.2617 10.0155 10.0155 13.0728 13.0728 13.4830 13.4830 13.9717 13.9717 k = 0.2637-0.1200-0.3918 ( 3525 PWs) bands (ev): -8.2540 -8.2540 -6.0213 -6.0213 -5.8095 -5.8095 -2.4669 -2.4669 -2.4599 -2.4599 -1.7127 -1.7127 -0.0139 -0.0139 0.7539 0.7539 1.1435 1.1435 1.5300 1.5300 1.5777 1.5777 2.2503 2.2503 2.8912 2.8912 3.6081 3.6081 3.7865 3.7865 4.5311 4.5311 4.5903 4.5903 5.5919 5.5919 5.6713 5.6713 5.8248 5.8248 6.1525 6.1525 6.8663 6.8663 6.9682 6.9682 7.8091 7.8091 9.2590 9.2590 10.0039 10.0039 12.9796 12.9796 13.4246 13.4246 13.9297 13.9297 k = 0.2725-0.1240-0.4048 ( 3531 PWs) bands (ev): -8.2390 -8.2390 -6.0268 -6.0268 -5.8293 -5.8293 -2.4930 -2.4930 -2.4846 -2.4846 -1.7055 -1.7055 0.0172 0.0172 0.7217 0.7217 1.1942 1.1942 1.4873 1.4873 1.6044 1.6044 2.3236 2.3236 2.9673 2.9673 3.6104 3.6104 3.8537 3.8537 4.4716 4.4716 4.5089 4.5089 5.5553 5.5553 5.6869 5.6869 5.8587 5.8587 6.2126 6.2126 6.8196 6.8196 6.9128 6.9128 7.7757 7.7757 9.2617 9.2617 9.9927 9.9927 12.8851 12.8851 13.3656 13.3656 13.8944 13.8944 k = 0.2812-0.1281-0.4179 ( 3527 PWs) bands (ev): -8.2246 -8.2246 -6.0303 -6.0303 -5.8491 -5.8491 -2.5198 -2.5198 -2.5093 -2.5093 -1.6947 -1.6947 0.0480 0.0480 0.6795 0.6795 1.2461 1.2461 1.4597 1.4597 1.6310 1.6310 2.3943 2.3943 3.0431 3.0431 3.5972 3.5972 3.9192 3.9192 4.4112 4.4112 4.4398 4.4398 5.5081 5.5081 5.7054 5.7054 5.9032 5.9032 6.2630 6.2630 6.7710 6.7710 6.8682 6.8682 7.7428 7.7428 9.2695 9.2695 9.9819 9.9819 12.7906 12.7906 13.3065 13.3065 13.8653 13.8653 k = 0.2900-0.1321-0.4310 ( 3529 PWs) bands (ev): -8.2111 -8.2111 -6.0319 -6.0319 -5.8687 -5.8687 -2.5472 -2.5472 -2.5340 -2.5340 -1.6805 -1.6805 0.0767 0.0767 0.6302 0.6302 1.2989 1.2989 1.4467 1.4467 1.6578 1.6578 2.4627 2.4627 3.1170 3.1170 3.5721 3.5721 3.9716 3.9716 4.3493 4.3493 4.3912 4.3912 5.4618 5.4618 5.7267 5.7267 5.9472 5.9472 6.2964 6.2964 6.7208 6.7208 6.8411 6.8411 7.7114 7.7114 9.2823 9.2823 9.9716 9.9716 12.6971 12.6971 13.2475 13.2475 13.8420 13.8420 k = 0.2988-0.1361-0.4440 ( 3537 PWs) bands (ev): -8.1983 -8.1983 -6.0315 -6.0315 -5.8880 -5.8880 -2.5748 -2.5748 -2.5585 -2.5585 -1.6632 -1.6632 0.0996 0.0996 0.5797 0.5797 1.3525 1.3525 1.4463 1.4463 1.6847 1.6847 2.5292 2.5292 3.1874 3.1874 3.5364 3.5364 3.9990 3.9990 4.2857 4.2857 4.3745 4.3745 5.4213 5.4213 5.7503 5.7503 5.9861 5.9861 6.3059 6.3059 6.6697 6.6697 6.8381 6.8381 7.6824 7.6824 9.3000 9.3000 9.9620 9.9620 12.6056 12.6056 13.1890 13.1890 13.8242 13.8242 k = 0.3076-0.1401-0.4571 ( 3531 PWs) bands (ev): -8.1865 -8.1865 -6.0292 -6.0292 -5.9071 -5.9071 -2.6024 -2.6024 -2.5828 -2.5828 -1.6431 -1.6431 0.1107 0.1107 0.5366 0.5366 1.4065 1.4065 1.4559 1.4559 1.7120 1.7120 2.5939 2.5939 3.2527 3.2527 3.4905 3.4905 3.9960 3.9960 4.2200 4.2200 4.3946 4.3946 5.3894 5.3894 5.7759 5.7759 6.0174 6.0174 6.2893 6.2893 6.6183 6.6183 6.8609 6.8609 7.6564 7.6564 9.3222 9.3222 9.9530 9.9530 12.5169 12.5169 13.1312 13.1312 13.8116 13.8116 k = 0.3164-0.1441-0.4701 ( 3533 PWs) bands (ev): -8.1755 -8.1755 -6.0249 -6.0249 -5.9257 -5.9257 -2.6299 -2.6299 -2.6067 -2.6067 -1.6205 -1.6205 0.1021 0.1021 0.5111 0.5111 1.4604 1.4604 1.4735 1.4735 1.7400 1.7400 2.6571 2.6571 3.3113 3.3113 3.4353 3.4353 3.9717 3.9717 4.1522 4.1522 4.4421 4.4421 5.3677 5.3677 5.8033 5.8033 6.0396 6.0396 6.2513 6.2513 6.5672 6.5672 6.9047 6.9047 7.6341 7.6341 9.3489 9.3489 9.9447 9.9447 12.4317 12.4317 13.0743 13.0743 13.8041 13.8041 k = 0.3252-0.1481-0.4832 ( 3523 PWs) bands (ev): -8.1654 -8.1654 -6.0188 -6.0188 -5.9440 -5.9440 -2.6570 -2.6570 -2.6302 -2.6302 -1.5957 -1.5957 0.0692 0.0692 0.5099 0.5099 1.4970 1.4970 1.5137 1.5137 1.7692 1.7692 2.7188 2.7188 3.3616 3.3616 3.3720 3.3720 3.9381 3.9381 4.0828 4.0828 4.5042 4.5042 5.3570 5.3570 5.8320 5.8320 6.0520 6.0520 6.1990 6.1990 6.5171 6.5171 6.9619 6.9619 7.6159 7.6159 9.3797 9.3797 9.9373 9.9373 12.3507 12.3507 13.0184 13.0184 13.8016 13.8016 k = 0.3340-0.1521-0.4962 ( 3523 PWs) bands (ev): -8.1562 -8.1562 -6.0110 -6.0110 -5.9617 -5.9617 -2.6835 -2.6835 -2.6530 -2.6530 -1.5690 -1.5690 0.0153 0.0153 0.5313 0.5313 1.5250 1.5250 1.5655 1.5655 1.8003 1.8003 2.7792 2.7792 3.3022 3.3022 3.4019 3.4019 3.9021 3.9021 4.0129 4.0129 4.5725 4.5725 5.3575 5.3575 5.8617 5.8617 6.0541 6.0541 6.1382 6.1382 6.4688 6.4688 7.0267 7.0267 7.6019 7.6019 9.4143 9.4143 9.9307 9.9307 12.2743 12.2743 12.9637 12.9637 13.8039 13.8039 k = 0.3428-0.1561-0.5093 ( 3523 PWs) bands (ev): -8.1479 -8.1479 -6.0016 -6.0016 -5.9789 -5.9789 -2.7094 -2.7094 -2.6753 -2.6753 -1.5407 -1.5407 -0.0522 -0.0522 0.5690 0.5690 1.5562 1.5562 1.6147 1.6147 1.8343 1.8343 2.8381 2.8381 3.2276 3.2276 3.4301 3.4301 3.8663 3.8663 3.9444 3.9444 4.6430 4.6430 5.3686 5.3686 5.8919 5.8919 6.0465 6.0465 6.0726 6.0726 6.4230 6.4230 7.0950 7.0950 7.5921 7.5921 9.4526 9.4526 9.9251 9.9251 12.2031 12.2031 12.9103 12.9103 13.8109 13.8109 k = 0.3516-0.1601-0.5224 ( 3525 PWs) bands (ev): -8.1405 -8.1405 -5.9954 -5.9954 -5.9907 -5.9907 -2.7344 -2.7344 -2.6968 -2.6968 -1.5110 -1.5110 -0.1270 -0.1270 0.6176 0.6176 1.5898 1.5898 1.6600 1.6600 1.8721 1.8721 2.8954 2.8954 3.1501 3.1501 3.4433 3.4433 3.8313 3.8313 3.8809 3.8809 4.7137 4.7137 5.3886 5.3886 5.9221 5.9221 6.0046 6.0046 6.0299 6.0299 6.3804 6.3804 7.1645 7.1645 7.5858 7.5858 9.4940 9.4940 9.9203 9.9203 12.1374 12.1374 12.8583 12.8583 13.8225 13.8225 k = 0.3603-0.1641-0.5354 ( 3531 PWs) bands (ev): -8.1340 -8.1340 -6.0113 -6.0113 -5.9786 -5.9786 -2.7585 -2.7585 -2.7174 -2.7174 -1.4804 -1.4804 -0.2049 -0.2049 0.6737 0.6737 1.6250 1.6250 1.7006 1.7006 1.9146 1.9146 2.9509 2.9509 3.0711 3.0711 3.4373 3.4373 3.7971 3.7971 3.8275 3.8275 4.7833 4.7833 5.4154 5.4154 5.9356 5.9356 5.9521 5.9521 6.0059 6.0059 6.3418 6.3418 7.2334 7.2334 7.5826 7.5826 9.5381 9.5381 9.9164 9.9164 12.0775 12.0775 12.8079 12.8079 13.8385 13.8385 k = 0.3691-0.1681-0.5485 ( 3539 PWs) bands (ev): -8.1282 -8.1282 -6.0265 -6.0265 -5.9654 -5.9654 -2.7815 -2.7815 -2.7372 -2.7372 -1.4491 -1.4491 -0.2834 -0.2834 0.7353 0.7353 1.6611 1.6611 1.7360 1.7360 1.9620 1.9620 2.9919 2.9919 3.0044 3.0044 3.4087 3.4087 3.7634 3.7634 3.7890 3.7890 4.8512 4.8512 5.4460 5.4460 5.8674 5.8674 5.9766 5.9766 5.9808 5.9808 6.3080 6.3080 7.3006 7.3006 7.5817 7.5817 9.5846 9.5846 9.9135 9.9135 12.0238 12.0238 12.7590 12.7590 13.8587 13.8587 k = 0.3779-0.1721-0.5615 ( 3537 PWs) bands (ev): -8.1232 -8.1232 -6.0409 -6.0409 -5.9514 -5.9514 -2.8033 -2.8033 -2.7560 -2.7560 -1.4174 -1.4174 -0.3607 -0.3607 0.8013 0.8013 1.6977 1.6977 1.7666 1.7666 2.0137 2.0137 2.9137 2.9137 3.0555 3.0555 3.3576 3.3576 3.7297 3.7297 3.7668 3.7668 4.9168 4.9168 5.4765 5.4765 5.8004 5.8004 5.9441 5.9441 6.0081 6.0081 6.2803 6.2803 7.3653 7.3653 7.5822 7.5822 9.6328 9.6328 9.9115 9.9115 11.9763 11.9763 12.7119 12.7119 13.8828 13.8828 k = 0.3867-0.1761-0.5746 ( 3533 PWs) bands (ev): -8.1189 -8.1189 -6.0545 -6.0545 -5.9367 -5.9367 -2.8239 -2.8239 -2.7738 -2.7738 -1.3856 -1.3856 -0.4358 -0.4358 0.8709 0.8709 1.7341 1.7341 1.7931 1.7931 2.0686 2.0686 2.8374 2.8374 3.1037 3.1037 3.2888 3.2888 3.6958 3.6958 3.7577 3.7577 4.9800 4.9800 5.5028 5.5028 5.7354 5.7354 5.9107 5.9107 6.0335 6.0335 6.2606 6.2606 7.4269 7.4269 7.5836 7.5836 9.6821 9.6821 9.9103 9.9103 11.9350 11.9350 12.6666 12.6666 13.9106 13.9106 k = 0.6133 0.1457-0.3367 ( 3533 PWs) bands (ev): -8.1189 -8.1189 -6.0545 -6.0545 -5.9367 -5.9367 -2.8239 -2.8239 -2.7738 -2.7738 -1.3856 -1.3856 -0.4358 -0.4358 0.8709 0.8709 1.7341 1.7341 1.7931 1.7931 2.0686 2.0686 2.8374 2.8374 3.1037 3.1037 3.2888 3.2888 3.6958 3.6958 3.7577 3.7577 4.9800 4.9800 5.5028 5.5028 5.7354 5.7354 5.9107 5.9107 6.0335 6.0335 6.2606 6.2606 7.4269 7.4269 7.5836 7.5836 9.6821 9.6821 9.9103 9.9103 11.9350 11.9350 12.6666 12.6666 13.9106 13.9106 k = 0.6046 0.1592-0.3367 ( 3525 PWs) bands (ev): -8.1153 -8.1153 -6.0671 -6.0671 -5.9218 -5.9218 -2.8431 -2.8431 -2.7903 -2.7903 -1.3544 -1.3544 -0.5072 -0.5072 0.9429 0.9429 1.7698 1.7698 1.8162 1.8162 2.1250 2.1250 2.7648 2.7648 3.1482 3.1482 3.2090 3.2090 3.6616 3.6616 3.7573 3.7573 5.0397 5.0397 5.5207 5.5207 5.6739 5.6739 5.8781 5.8781 6.0564 6.0564 6.2511 6.2511 7.4843 7.4843 7.5851 7.5851 9.7316 9.7316 9.9099 9.9099 11.9003 11.9003 12.6236 12.6236 13.9415 13.9415 k = 0.5959 0.1728-0.3367 ( 3523 PWs) bands (ev): -8.1122 -8.1122 -6.0789 -6.0789 -5.9068 -5.9068 -2.8609 -2.8609 -2.8057 -2.8057 -1.3239 -1.3239 -0.5749 -0.5749 1.0176 1.0176 1.8044 1.8044 1.8368 1.8368 2.1817 2.1817 2.6961 2.6961 3.1215 3.1215 3.1893 3.1893 3.6268 3.6268 3.7627 3.7627 5.0961 5.0961 5.5276 5.5276 5.6158 5.6158 5.8469 5.8469 6.0767 6.0767 6.2535 6.2535 7.5379 7.5379 7.5863 7.5863 9.7808 9.7808 9.9101 9.9101 11.8715 11.8715 12.5827 12.5827 13.9752 13.9752 k = 0.5871 0.1863-0.3367 ( 3527 PWs) bands (ev): -8.1096 -8.1096 -6.0897 -6.0897 -5.8920 -5.8920 -2.8773 -2.8773 -2.8200 -2.8200 -1.2943 -1.2943 -0.6384 -0.6384 1.0947 1.0947 1.8377 1.8377 1.8556 1.8556 2.2371 2.2371 2.6332 2.6332 3.0297 3.0297 3.2259 3.2259 3.5912 3.5912 3.7722 3.7722 5.1485 5.1485 5.5227 5.5227 5.5623 5.5623 5.8170 5.8170 6.0940 6.0940 6.2685 6.2685 7.5867 7.5867 7.5873 7.5873 9.8291 9.8291 9.9109 9.9109 11.8484 11.8484 12.5440 12.5440 14.0111 14.0111 k = 0.5784 0.1998-0.3367 ( 3525 PWs) bands (ev): -8.1075 -8.1075 -6.0996 -6.0996 -5.8776 -5.8776 -2.8923 -2.8923 -2.8330 -2.8330 -1.2661 -1.2661 -0.6972 -0.6972 1.1738 1.1738 1.8691 1.8691 1.8729 1.8729 2.2876 2.2876 2.5789 2.5789 2.9352 2.9352 3.2582 3.2582 3.5549 3.5549 3.7848 3.7848 5.1960 5.1960 5.5081 5.5081 5.5146 5.5146 5.7878 5.7878 6.1084 6.1084 6.2948 6.2948 7.5861 7.5861 7.6323 7.6323 9.8758 9.8758 9.9123 9.9123 11.8305 11.8305 12.5078 12.5078 14.0487 14.0487 k = 0.5697 0.2134-0.3367 ( 3523 PWs) bands (ev): -8.1058 -8.1058 -6.1085 -6.1085 -5.8639 -5.8639 -2.9058 -2.9058 -2.8447 -2.8447 -1.2396 -1.2396 -0.7508 -0.7508 1.2547 1.2547 1.8890 1.8890 1.8984 1.8984 2.3262 2.3262 2.5403 2.5403 2.8392 2.8392 3.2859 3.2859 3.5178 3.5178 3.7998 3.7998 5.2364 5.2364 5.4747 5.4747 5.4866 5.4866 5.7588 5.7588 6.1198 6.1198 6.3295 6.3295 7.5846 7.5846 7.6728 7.6728 9.9127 9.9127 9.9213 9.9213 11.8173 11.8173 12.4742 12.4742 14.0873 14.0873 k = 0.5610 0.2269-0.3367 ( 3525 PWs) bands (ev): -8.1045 -8.1045 -6.1165 -6.1165 -5.8511 -5.8511 -2.9177 -2.9177 -2.8551 -2.8551 -1.2151 -1.2151 -0.7990 -0.7990 1.3371 1.3371 1.9042 1.9042 1.9251 1.9251 2.3395 2.3395 2.5302 2.5302 2.7428 2.7428 3.3090 3.3090 3.4804 3.4804 3.8164 3.8164 5.2659 5.2659 5.4467 5.4467 5.4615 5.4615 5.7305 5.7305 6.1283 6.1283 6.3692 6.3692 7.5819 7.5819 7.7087 7.7087 9.9153 9.9153 9.9619 9.9619 11.8083 11.8083 12.4436 12.4436 14.1259 14.1259 k = 0.5523 0.2405-0.3367 ( 3527 PWs) bands (ev): -8.1034 -8.1034 -6.1234 -6.1234 -5.8394 -5.8394 -2.9282 -2.9282 -2.8642 -2.8642 -1.1930 -1.1930 -0.8415 -0.8415 1.4205 1.4205 1.9186 1.9186 1.9488 1.9488 2.3240 2.3240 2.5519 2.5519 2.6469 2.6469 3.3279 3.3279 3.4430 3.4430 3.8339 3.8339 5.2790 5.2790 5.4354 5.4354 5.4359 5.4359 5.7034 5.7034 6.1342 6.1342 6.4105 6.4105 7.5785 7.5785 7.7398 7.7398 9.9172 9.9172 9.9994 9.9994 11.8026 11.8026 12.4162 12.4162 14.1636 14.1636 k = 0.5436 0.2540-0.3367 ( 3525 PWs) bands (ev): -8.1025 -8.1025 -6.1293 -6.1293 -5.8292 -5.8292 -2.9370 -2.9370 -2.8720 -2.8720 -1.1737 -1.1737 -0.8778 -0.8778 1.5043 1.5043 1.9322 1.9322 1.9691 1.9691 2.2946 2.2946 2.5526 2.5526 2.5896 2.5896 3.3428 3.3428 3.4065 3.4065 3.8513 3.8513 5.2753 5.2753 5.4104 5.4104 5.4426 5.4426 5.6787 5.6787 6.1378 6.1378 6.4504 6.4504 7.5744 7.5744 7.7662 7.7662 9.9191 9.9191 10.0325 10.0325 11.7996 11.7996 12.3923 12.3923 14.1992 14.1992 k = 0.5349 0.2676-0.3367 ( 3531 PWs) bands (ev): -8.1019 -8.1019 -6.1341 -6.1341 -5.8205 -5.8205 -2.9443 -2.9443 -2.8784 -2.8784 -1.1575 -1.1575 -0.9079 -0.9079 1.5874 1.5874 1.9450 1.9450 1.9854 1.9854 2.2630 2.2630 2.4613 2.4613 2.6307 2.6307 3.3543 3.3543 3.3720 3.3720 3.8674 3.8674 5.2627 5.2627 5.3880 5.3880 5.4585 5.4585 5.6570 5.6570 6.1396 6.1396 6.4865 6.4865 7.5702 7.5702 7.7877 7.7877 9.9207 9.9207 10.0606 10.0606 11.7984 11.7984 12.3722 12.3722 14.2314 14.2314 k = 0.5261 0.2811-0.3367 ( 3529 PWs) bands (ev): -8.1015 -8.1015 -6.1379 -6.1379 -5.8136 -5.8136 -2.9500 -2.9500 -2.8833 -2.8833 -1.1445 -1.1445 -0.9315 -0.9315 1.6680 1.6680 1.9565 1.9565 1.9970 1.9970 2.2347 2.2347 2.3755 2.3755 2.6688 2.6688 3.3411 3.3411 3.3627 3.3627 3.8812 3.8812 5.2487 5.2487 5.3694 5.3694 5.4756 5.4756 5.6393 5.6393 6.1402 6.1402 6.5168 6.5168 7.5662 7.5662 7.8045 7.8045 9.9221 9.9221 10.0830 10.0830 11.7984 11.7984 12.3563 12.3563 14.2586 14.2586 k = 0.5174 0.2946-0.3367 ( 3532 PWs) bands (ev): -8.1012 -8.1012 -6.1406 -6.1406 -5.8085 -5.8085 -2.9541 -2.9541 -2.8869 -2.8869 -1.1351 -1.1351 -0.9485 -0.9485 1.7421 1.7421 1.9661 1.9661 2.0029 2.0029 2.2123 2.2123 2.3002 2.3002 2.6997 2.6997 3.3162 3.3162 3.3684 3.3684 3.8919 3.8919 5.2372 5.2372 5.3555 5.3555 5.4898 5.4898 5.6262 5.6262 6.1401 6.1401 6.5396 6.5396 7.5629 7.5629 7.8165 7.8165 9.9232 9.9232 10.0993 10.0993 11.7989 11.7989 12.3447 12.3447 14.2795 14.2795 k = 0.5087 0.3082-0.3367 ( 3534 PWs) bands (ev): -8.1010 -8.1010 -6.1423 -6.1423 -5.8054 -5.8054 -2.9565 -2.9565 -2.8890 -2.8890 -1.1294 -1.1294 -0.9588 -0.9588 1.8006 1.8006 1.9726 1.9726 2.0025 2.0025 2.1978 2.1978 2.2450 2.2450 2.7200 2.7200 3.2997 3.2997 3.3717 3.3717 3.8985 3.8985 5.2298 5.2298 5.3468 5.3468 5.4990 5.4990 5.6181 5.6181 6.1398 6.1398 6.5538 6.5538 7.5607 7.5607 7.8237 7.8237 9.9238 9.9238 10.1093 10.1093 11.7994 11.7994 12.3376 12.3376 14.2927 14.2927 k = 0.5000 0.3217-0.3367 ( 3536 PWs) bands (ev): -8.1009 -8.1009 -6.1428 -6.1428 -5.8044 -5.8044 -2.9573 -2.9573 -2.8898 -2.8898 -1.1275 -1.1275 -0.9622 -0.9622 1.8248 1.8248 1.9749 1.9749 2.0002 2.0002 2.1927 2.1927 2.2239 2.2239 2.7271 2.7271 3.2939 3.2939 3.3728 3.3728 3.9008 3.9008 5.2273 5.2273 5.3439 5.3439 5.5021 5.5021 5.6154 5.6154 6.1397 6.1397 6.5586 6.5586 7.5600 7.5600 7.8261 7.8261 9.9240 9.9240 10.1126 10.1126 11.7996 11.7996 12.3353 12.3353 14.2965 14.2969 k = 0.5000 0.3217-0.3367 ( 3536 PWs) bands (ev): -8.1009 -8.1009 -6.1428 -6.1428 -5.8044 -5.8044 -2.9573 -2.9573 -2.8898 -2.8898 -1.1275 -1.1275 -0.9622 -0.9622 1.8248 1.8248 1.9749 1.9749 2.0002 2.0002 2.1927 2.1927 2.2239 2.2239 2.7271 2.7271 3.2939 3.2939 3.3728 3.3728 3.9008 3.9008 5.2273 5.2273 5.3439 5.3439 5.5021 5.5021 5.6154 5.6154 6.1397 6.1397 6.5586 6.5586 7.5600 7.5600 7.8261 7.8261 9.9240 9.9240 10.1126 10.1126 11.7996 11.7996 12.3353 12.3353 14.2966 14.2972 k = 0.5067 0.3260-0.3227 ( 3534 PWs) bands (ev): -8.1006 -8.1006 -6.1461 -6.1461 -5.8012 -5.8012 -2.9580 -2.9580 -2.8888 -2.8888 -1.1328 -1.1328 -0.9558 -0.9558 1.8239 1.8239 1.8914 1.8914 2.0836 2.0836 2.1574 2.1574 2.2536 2.2536 2.7326 2.7326 3.2904 3.2904 3.3755 3.3755 3.9000 3.9000 5.2287 5.2287 5.3473 5.3473 5.5017 5.5017 5.6164 5.6164 6.1418 6.1418 6.5600 6.5600 7.5560 7.5560 7.8248 7.8248 9.9232 9.9232 10.1113 10.1113 11.8026 11.8026 12.3370 12.3370 14.2922 14.2922 k = 0.5133 0.3303-0.3087 ( 3530 PWs) bands (ev): -8.0997 -8.0997 -6.1556 -6.1556 -5.7919 -5.7919 -2.9598 -2.9598 -2.8861 -2.8861 -1.1473 -1.1473 -0.9381 -0.9381 1.7966 1.7966 1.8205 1.8205 2.1066 2.1066 2.1782 2.1782 2.2886 2.2886 2.7489 2.7489 3.2801 3.2801 3.3835 3.3835 3.8975 3.8975 5.2332 5.2332 5.3573 5.3573 5.5006 5.5006 5.6194 5.6194 6.1482 6.1482 6.5641 6.5641 7.5443 7.5443 7.8207 7.8207 9.9208 9.9208 10.1072 10.1072 11.8116 11.8116 12.3422 12.3422 14.2773 14.2773 k = 0.5200 0.3346-0.2947 ( 3524 PWs) bands (ev): -8.0981 -8.0981 -6.1704 -6.1704 -5.7774 -5.7774 -2.9628 -2.9628 -2.8816 -2.8816 -1.1684 -1.1684 -0.9117 -0.9117 1.7017 1.7017 1.8129 1.8129 2.0536 2.0536 2.2725 2.2725 2.3181 2.3181 2.7750 2.7750 3.2632 3.2632 3.3965 3.3965 3.8936 3.8936 5.2405 5.2405 5.3730 5.3730 5.4993 5.4993 5.6244 5.6244 6.1586 6.1586 6.5708 6.5708 7.5251 7.5251 7.8139 7.8139 9.9169 9.9169 10.1005 10.1005 11.8264 11.8264 12.3507 12.3507 14.2528 14.2528 k = 0.5267 0.3389-0.2807 ( 3525 PWs) bands (ev): -8.0960 -8.0960 -6.1894 -6.1894 -5.7589 -5.7589 -2.9668 -2.9668 -2.8752 -2.8752 -1.1941 -1.1941 -0.8786 -0.8786 1.6071 1.6071 1.7981 1.7981 2.0022 2.0022 2.3432 2.3432 2.3661 2.3661 2.8092 2.8092 3.2403 3.2403 3.4140 3.4140 3.8886 3.8886 5.2508 5.2508 5.3931 5.3931 5.4988 5.4988 5.6315 5.6315 6.1726 6.1726 6.5803 6.5803 7.4989 7.4989 7.8040 7.8040 9.9115 9.9115 10.0913 10.0913 11.8469 11.8469 12.3621 12.3621 14.2192 14.2192 k = 0.5333 0.3432-0.2667 ( 3527 PWs) bands (ev): -8.0933 -8.0933 -6.2116 -6.2116 -5.7371 -5.7371 -2.9714 -2.9714 -2.8671 -2.8671 -1.2236 -1.2236 -0.8398 -0.8398 1.5129 1.5129 1.7725 1.7725 1.9559 1.9559 2.3663 2.3663 2.4585 2.4585 2.8493 2.8493 3.2122 3.2122 3.4352 3.4352 3.8832 3.8832 5.2638 5.2638 5.4139 5.4139 5.5022 5.5022 5.6405 5.6405 6.1898 6.1898 6.5924 6.5924 7.4664 7.4664 7.7909 7.7909 9.9049 9.9049 10.0798 10.0798 11.8727 11.8727 12.3760 12.3760 14.1770 14.1770 k = 0.5400 0.3475-0.2527 ( 3516 PWs) bands (ev): -8.0901 -8.0901 -6.2362 -6.2362 -5.7131 -5.7131 -2.9765 -2.9765 -2.8572 -2.8572 -1.2561 -1.2561 -0.7957 -0.7957 1.4194 1.4194 1.7335 1.7335 1.9168 1.9168 2.3902 2.3902 2.5491 2.5491 2.8932 2.8932 3.1799 3.1799 3.4592 3.4592 3.8784 3.8784 5.2795 5.2795 5.4293 5.4293 5.5149 5.5149 5.6517 5.6517 6.2093 6.2093 6.6071 6.6071 7.4283 7.4283 7.7744 7.7744 9.8972 9.8972 10.0661 10.0661 11.9035 11.9035 12.3918 12.3918 14.1273 14.1273 k = 0.5467 0.3518-0.2387 ( 3519 PWs) bands (ev): -8.0865 -8.0865 -6.2624 -6.2624 -5.6873 -5.6873 -2.9818 -2.9818 -2.8455 -2.8455 -1.2915 -1.2915 -0.7469 -0.7469 1.3266 1.3266 1.6824 1.6824 1.8832 1.8832 2.4170 2.4170 2.6368 2.6368 2.9390 2.9390 3.1449 3.1449 3.4845 3.4845 3.8755 3.8755 5.2977 5.2977 5.4345 5.4345 5.5410 5.5410 5.6652 5.6652 6.2302 6.2302 6.6245 6.6245 7.3857 7.3857 7.7544 7.7544 9.8887 9.8887 10.0505 10.0505 11.9390 11.9390 12.4090 12.4090 14.0708 14.0708 k = 0.5533 0.3560-0.2247 ( 3523 PWs) bands (ev): -8.0824 -8.0824 -6.2897 -6.2897 -5.6603 -5.6603 -2.9869 -2.9869 -2.8321 -2.8321 -1.3295 -1.3295 -0.6935 -0.6935 1.2347 1.2347 1.6230 1.6230 1.8513 1.8513 2.4484 2.4484 2.7194 2.7194 2.9850 2.9850 3.1100 3.1100 3.5092 3.5092 3.8765 3.8765 5.3183 5.3183 5.4318 5.4318 5.5769 5.5769 5.6814 5.6814 6.2513 6.2513 6.6444 6.6444 7.3398 7.3398 7.7308 7.7308 9.8795 9.8795 10.0330 10.0330 11.9788 11.9788 12.4268 12.4268 14.0088 14.0088 k = 0.5600 0.3603-0.2107 ( 3523 PWs) bands (ev): -8.0781 -8.0781 -6.3178 -6.3178 -5.6323 -5.6323 -2.9916 -2.9916 -2.8169 -2.8169 -1.3697 -1.3697 -0.6360 -0.6360 1.1437 1.1437 1.5586 1.5586 1.8182 1.8182 2.4849 2.4849 2.7912 2.7912 3.0301 3.0301 3.0811 3.0811 3.5310 3.5310 3.8838 3.8838 5.3411 5.3411 5.4248 5.4248 5.6176 5.6176 5.7013 5.7013 6.2711 6.2711 6.6669 6.6669 7.2920 7.2920 7.7035 7.7035 9.8698 9.8698 10.0140 10.0140 12.0224 12.0224 12.4446 12.4446 13.9423 13.9423 k = 0.5666 0.3646-0.1967 ( 3528 PWs) bands (ev): -8.0734 -8.0734 -6.3463 -6.3463 -5.6035 -5.6035 -2.9955 -2.9955 -2.8000 -2.8000 -1.4119 -1.4119 -0.5747 -0.5747 1.0538 1.0538 1.4914 1.4914 1.7827 1.7827 2.5264 2.5264 2.8387 2.8387 3.0723 3.0723 3.0737 3.0737 3.5471 3.5471 3.9002 3.9002 5.3660 5.3660 5.4154 5.4154 5.6582 5.6582 5.7269 5.7269 6.2877 6.2877 6.6919 6.6919 7.2443 7.2443 7.6726 7.6726 9.8599 9.8599 9.9934 9.9934 12.0696 12.0696 12.4617 12.4617 13.8725 13.8725 k = 0.5733 0.3689-0.1827 ( 3523 PWs) bands (ev): -8.0686 -8.0686 -6.3749 -6.3749 -5.5742 -5.5742 -2.9984 -2.9984 -2.7814 -2.7814 -1.4558 -1.4558 -0.5100 -0.5100 0.9650 0.9650 1.4226 1.4226 1.7444 1.7444 2.5723 2.5723 2.8448 2.8448 3.1009 3.1009 3.1151 3.1151 3.5558 3.5558 3.9276 3.9276 5.3927 5.3927 5.4047 5.4047 5.6944 5.6944 5.7613 5.7613 6.2987 6.2987 6.7195 6.7195 7.1989 7.1989 7.6379 7.6379 9.8500 9.8500 9.9714 9.9714 12.1198 12.1198 12.4774 12.4774 13.8007 13.8007 k = 0.5800 0.3732-0.1687 ( 3526 PWs) bands (ev): -8.0637 -8.0637 -6.4033 -6.4033 -5.5445 -5.5445 -3.0001 -3.0001 -2.7611 -2.7611 -1.5011 -1.5011 -0.4424 -0.4424 0.8776 0.8776 1.3530 1.3530 1.7037 1.7037 2.6216 2.6216 2.8169 2.8169 3.1542 3.1542 3.1598 3.1598 3.5568 3.5568 3.9662 3.9662 5.3929 5.3929 5.4211 5.4211 5.7247 5.7247 5.8049 5.8049 6.3015 6.3015 6.7495 6.7495 7.1585 7.1585 7.5995 7.5995 9.8403 9.8403 9.9480 9.9480 12.1727 12.1727 12.4910 12.4910 13.7282 13.7282 k = 0.5866 0.3775-0.1548 ( 3522 PWs) bands (ev): -8.0589 -8.0589 -6.4314 -6.4314 -5.5144 -5.5144 -3.0002 -3.0002 -2.7393 -2.7393 -1.5474 -1.5474 -0.3723 -0.3723 0.7914 0.7914 1.2832 1.2832 1.6612 1.6612 2.6733 2.6733 2.7728 2.7728 3.1912 3.1912 3.2313 3.2313 3.5514 3.5514 4.0149 4.0149 5.3806 5.3806 5.4507 5.4507 5.7519 5.7519 5.8540 5.8540 6.2934 6.2934 6.7819 6.7819 7.1255 7.1255 7.5576 7.5576 9.8310 9.8310 9.9233 9.9233 12.2278 12.2278 12.5019 12.5019 13.6563 13.6563 k = 0.5933 0.3818-0.1408 ( 3526 PWs) bands (ev): -8.0542 -8.0542 -6.4588 -6.4588 -5.4841 -5.4841 -2.9987 -2.9987 -2.7158 -2.7158 -1.5944 -1.5944 -0.3004 -0.3004 0.7068 0.7068 1.2134 1.2134 1.6176 1.6176 2.7213 2.7213 2.7258 2.7258 3.2261 3.2261 3.3067 3.3067 3.5416 3.5416 4.0720 4.0720 5.3680 5.3680 5.4815 5.4815 5.7783 5.7783 5.9057 5.9057 6.2724 6.2724 6.8166 6.8166 7.1021 7.1021 7.5122 7.5122 9.8223 9.8223 9.8974 9.8974 12.2846 12.2846 12.5095 12.5095 13.5863 13.5863 k = 0.6000 0.3861-0.1268 ( 3530 PWs) bands (ev): -8.0499 -8.0499 -6.4854 -6.4854 -5.4537 -5.4537 -2.9953 -2.9953 -2.6908 -2.6908 -1.6418 -1.6418 -0.2272 -0.2272 0.6237 0.6237 1.1439 1.1439 1.5736 1.5736 2.6661 2.6661 2.7777 2.7777 3.2594 3.2594 3.3826 3.3826 3.5295 3.5295 4.1358 4.1358 5.3554 5.3554 5.5129 5.5129 5.8050 5.8050 5.9580 5.9580 6.2376 6.2376 6.8535 6.8535 7.0892 7.0892 7.4634 7.4634 9.8144 9.8144 9.8702 9.8702 12.3428 12.3428 12.5136 12.5136 13.5194 13.5194 k = 0.6066 0.3903-0.1128 ( 3531 PWs) bands (ev): -8.0460 -8.0460 -6.5109 -6.5109 -5.4232 -5.4232 -2.9900 -2.9900 -2.6643 -2.6643 -1.6893 -1.6893 -0.1534 -0.1534 0.5423 0.5423 1.0750 1.0750 1.5300 1.5300 2.6087 2.6087 2.8269 2.8269 3.2912 3.2912 3.4572 3.4572 3.5173 3.5173 4.2048 4.2048 5.3432 5.3432 5.5448 5.5448 5.8327 5.8327 6.0101 6.0101 6.1895 6.1895 6.8924 6.8924 7.0861 7.0861 7.4115 7.4115 9.8075 9.8075 9.8418 9.8418 12.4018 12.4018 12.5140 12.5140 13.4569 13.4569 k = 0.6133 0.3946-0.0988 ( 3535 PWs) bands (ev): -8.0426 -8.0426 -6.5352 -6.5352 -5.3928 -5.3928 -2.9825 -2.9825 -2.6364 -2.6364 -1.7366 -1.7366 -0.0797 -0.0797 0.4627 0.4627 1.0068 1.0068 1.4876 1.4876 2.5500 2.5500 2.8715 2.8715 3.3216 3.3216 3.5073 3.5073 3.5295 3.5295 4.2779 4.2779 5.3316 5.3316 5.5766 5.5766 5.8613 5.8613 6.0612 6.0612 6.1300 6.1300 6.9328 6.9328 7.0912 7.0912 7.3568 7.3568 9.8015 9.8015 9.8128 9.8128 12.4609 12.4609 12.5107 12.5107 13.4003 13.4003 k = 0.6133 0.3946-0.0988 ( 3535 PWs) bands (ev): -8.0426 -8.0426 -6.5352 -6.5352 -5.3928 -5.3928 -2.9825 -2.9825 -2.6364 -2.6364 -1.7366 -1.7366 -0.0797 -0.0797 0.4627 0.4627 1.0068 1.0068 1.4876 1.4876 2.5500 2.5500 2.8715 2.8715 3.3216 3.3216 3.5073 3.5073 3.5295 3.5295 4.2779 4.2779 5.3316 5.3316 5.5766 5.5766 5.8613 5.8613 6.0612 6.0612 6.1300 6.1300 6.9328 6.9328 7.0912 7.0912 7.3568 7.3568 9.8015 9.8015 9.8128 9.8128 12.4609 12.4609 12.5107 12.5107 13.4003 13.4003 k = 0.6084 0.3915-0.0841 ( 3539 PWs) bands (ev): -8.0363 -8.0363 -6.5682 -6.5682 -5.3477 -5.3477 -2.9845 -2.9845 -2.6167 -2.6167 -1.7640 -1.7640 -0.0416 -0.0416 0.3813 0.3813 0.9568 0.9568 1.3897 1.3897 2.5523 2.5523 2.8855 2.8855 3.3897 3.3897 3.5488 3.5488 3.5959 3.5959 4.3501 4.3501 5.3450 5.3450 5.5612 5.5612 5.8360 5.8360 6.0926 6.0926 6.1028 6.1028 6.9551 6.9551 7.1133 7.1133 7.3551 7.3551 9.7941 9.7941 9.8046 9.8046 12.4760 12.4760 12.5127 12.5127 13.3578 13.3578 k = 0.6034 0.3883-0.0695 ( 3535 PWs) bands (ev): -8.0305 -8.0305 -6.6000 -6.6000 -5.3020 -5.3020 -2.9841 -2.9841 -2.5955 -2.5955 -1.7920 -1.7920 -0.0064 -0.0064 0.3000 0.3000 0.9055 0.9055 1.2989 1.2989 2.5562 2.5562 2.8942 2.8942 3.4547 3.4547 3.5925 3.5925 3.6568 3.6568 4.4233 4.4233 5.3566 5.3566 5.5485 5.5485 5.8072 5.8072 6.0503 6.0503 6.1537 6.1537 6.9780 6.9780 7.1374 7.1374 7.3556 7.3556 9.7765 9.7765 9.8019 9.8019 12.4942 12.4942 12.5193 12.5193 13.3185 13.3185 k = 0.5985 0.3851-0.0549 ( 3537 PWs) bands (ev): -8.0251 -8.0251 -6.6306 -6.6306 -5.2559 -5.2559 -2.9814 -2.9814 -2.5728 -2.5728 -1.8205 -1.8205 0.0241 0.0241 0.2190 0.2190 0.8526 0.8526 1.2176 1.2176 2.5617 2.5617 2.8984 2.8984 3.5157 3.5157 3.6383 3.6383 3.7117 3.7117 4.4969 4.4969 5.3677 5.3677 5.5387 5.5387 5.7776 5.7776 6.0046 6.0046 6.2101 6.2101 7.0012 7.0012 7.1616 7.1616 7.3592 7.3592 9.7580 9.7580 9.7952 9.7952 12.5153 12.5153 12.5306 12.5306 13.2823 13.2823 k = 0.5936 0.3820-0.0402 ( 3540 PWs) bands (ev): -8.0202 -8.0202 -6.6598 -6.6598 -5.2097 -5.2097 -2.9765 -2.9765 -2.5488 -2.5488 -1.8492 -1.8492 0.0474 0.0474 0.1385 0.1385 0.7992 0.7992 1.1475 1.1475 2.5688 2.5688 2.8987 2.8987 3.5715 3.5715 3.6860 3.6860 3.7602 3.7602 4.5703 4.5703 5.3790 5.3790 5.5319 5.5319 5.7489 5.7489 5.9569 5.9569 6.2698 6.2698 7.0248 7.0248 7.1845 7.1845 7.3664 7.3664 9.7388 9.7388 9.7846 9.7846 12.5391 12.5391 12.5464 12.5464 13.2493 13.2493 k = 0.5887 0.3788-0.0256 ( 3530 PWs) bands (ev): -8.0158 -8.0158 -6.6878 -6.6878 -5.1635 -5.1635 -2.9693 -2.9693 -2.5235 -2.5235 -1.8778 -1.8778 0.0588 0.0588 0.0603 0.0603 0.7484 0.7484 1.0890 1.0890 2.5772 2.5772 2.8959 2.8959 3.6215 3.6215 3.7353 3.7353 3.8021 3.8021 4.6427 4.6427 5.3909 5.3909 5.5281 5.5281 5.7218 5.7218 5.9082 5.9082 6.3312 6.3312 7.0487 7.0487 7.2049 7.2049 7.3777 7.3777 9.7189 9.7189 9.7703 9.7703 12.5652 12.5652 12.5665 12.5665 13.2195 13.2195 k = 0.5837 0.3756-0.0109 ( 3520 PWs) bands (ev): -8.0117 -8.0117 -6.7144 -6.7144 -5.1176 -5.1176 -2.9600 -2.9600 -2.4969 -2.4969 -1.9061 -1.9061 -0.0198 -0.0198 0.0586 0.0586 0.7053 0.7053 1.0412 1.0412 2.5868 2.5868 2.8906 2.8906 3.6659 3.6659 3.7852 3.7852 3.8374 3.8374 4.7137 4.7137 5.4035 5.4035 5.5273 5.5273 5.6973 5.6973 5.8597 5.8597 6.3932 6.3932 7.0729 7.0729 7.2227 7.2227 7.3927 7.3927 9.6984 9.6984 9.7525 9.7525 12.5902 12.5902 12.5939 12.5939 13.1930 13.1930 k = 0.5788 0.3724 0.0037 ( 3521 PWs) bands (ev): -8.0080 -8.0080 -6.7396 -6.7396 -5.0721 -5.0721 -2.9488 -2.9488 -2.4692 -2.4692 -1.9338 -1.9338 -0.0971 -0.0971 0.0389 0.0389 0.6750 0.6750 1.0023 1.0023 2.5974 2.5974 2.8832 2.8832 3.7050 3.7050 3.8344 3.8344 3.8661 3.8661 4.7827 4.7827 5.4164 5.4164 5.5293 5.5293 5.6761 5.6761 5.8124 5.8124 6.4549 6.4549 7.0973 7.0973 7.2383 7.2383 7.4105 7.4105 9.6772 9.6772 9.7317 9.7317 12.6177 12.6177 12.6244 12.6244 13.1696 13.1696 k = 0.5739 0.3693 0.0183 ( 3523 PWs) bands (ev): -8.0047 -8.0047 -6.7634 -6.7634 -5.0275 -5.0275 -2.9357 -2.9357 -2.4406 -2.4406 -1.9605 -1.9605 -0.1730 -0.1730 -0.0001 -0.0001 0.6605 0.6605 0.9708 0.9708 2.6090 2.6090 2.8743 2.8743 3.7393 3.7393 3.8819 3.8819 3.8886 3.8886 4.8490 4.8490 5.4285 5.4285 5.5337 5.5337 5.6595 5.6595 5.7674 5.7674 6.5156 6.5156 7.1221 7.1221 7.2527 7.2527 7.4299 7.4299 9.6554 9.6554 9.7082 9.7082 12.6483 12.6483 12.6566 12.6566 13.1494 13.1494 k = 0.5690 0.3661 0.0330 ( 3525 PWs) bands (ev): -8.0018 -8.0018 -6.7858 -6.7858 -4.9839 -4.9839 -2.9211 -2.9211 -2.4111 -2.4111 -1.9859 -1.9859 -0.2471 -0.2471 -0.0560 -0.0560 0.6608 0.6608 0.9450 0.9450 2.6214 2.6214 2.8642 2.8642 3.7692 3.7692 3.9051 3.9051 3.9269 3.9269 4.9123 4.9123 5.4383 5.4383 5.5396 5.5396 5.6487 5.6487 5.7260 5.7260 6.5745 6.5745 7.1473 7.1473 7.2665 7.2665 7.4497 7.4497 9.6331 9.6331 9.6827 9.6827 12.6816 12.6816 12.6902 12.6902 13.1321 13.1321 k = 0.5640 0.3629 0.0476 ( 3525 PWs) bands (ev): -7.9991 -7.9991 -6.8067 -6.8067 -4.9416 -4.9416 -2.9051 -2.9051 -2.3809 -2.3809 -2.0095 -2.0095 -0.3192 -0.3192 -0.1245 -0.1245 0.6729 0.6729 0.9239 0.9239 2.6343 2.6343 2.8534 2.8534 3.7951 3.7951 3.9162 3.9162 3.9687 3.9687 4.9719 4.9719 5.4442 5.4442 5.5449 5.5449 5.6449 5.6449 5.6908 5.6908 6.6310 6.6310 7.1730 7.1730 7.2806 7.2806 7.4691 7.4691 9.6102 9.6102 9.6556 9.6556 12.7169 12.7169 12.7248 12.7248 13.0753 13.0753 k = 0.5591 0.3598 0.0623 ( 3524 PWs) bands (ev): -7.9967 -7.9967 -6.8262 -6.8262 -4.9009 -4.9009 -2.8882 -2.8882 -2.3502 -2.3502 -2.0311 -2.0311 -0.3889 -0.3889 -0.2010 -0.2010 0.6928 0.6928 0.9065 0.9065 2.6476 2.6476 2.8421 2.8421 3.8170 3.8170 3.9227 3.9227 4.0071 4.0071 5.0275 5.0275 5.4454 5.4454 5.5451 5.5451 5.6488 5.6488 5.6662 5.6662 6.6844 6.6844 7.1992 7.1992 7.2953 7.2953 7.4874 7.4874 9.5872 9.5872 9.6274 9.6274 12.7536 12.7536 12.7602 12.7602 13.0030 13.0030 k = 0.5542 0.3566 0.0769 ( 3522 PWs) bands (ev): -7.9947 -7.9947 -6.8442 -6.8442 -4.8620 -4.8620 -2.8707 -2.8707 -2.3193 -2.3193 -2.0501 -2.0501 -0.4561 -0.4561 -0.2818 -0.2818 0.7176 0.7176 0.8923 0.8923 2.6611 2.6611 2.8308 2.8308 3.8351 3.8351 3.9252 3.9252 4.0420 4.0420 5.0789 5.0789 5.4421 5.4421 5.5351 5.5351 5.6571 5.6571 5.6595 5.6595 6.7341 6.7341 7.2258 7.2258 7.3107 7.3107 7.5041 7.5041 9.5640 9.5640 9.5987 9.5987 12.7906 12.7906 12.7958 12.7958 12.9341 12.9341 k = 0.5493 0.3534 0.0915 ( 3523 PWs) bands (ev): -7.9928 -7.9928 -6.8606 -6.8606 -4.8254 -4.8254 -2.8531 -2.8531 -2.2885 -2.2885 -2.0663 -2.0663 -0.5202 -0.5202 -0.3640 -0.3640 0.7448 0.7448 0.8807 0.8807 2.6746 2.6746 2.8197 2.8197 3.8495 3.8495 3.9243 3.9243 4.0733 4.0733 5.1257 5.1257 5.4355 5.4355 5.5155 5.5155 5.6632 5.6632 5.6748 5.6748 6.7798 6.7798 7.2529 7.2529 7.3267 7.3267 7.5190 7.5190 9.5409 9.5409 9.5701 9.5701 12.8227 12.8227 12.8311 12.8311 12.8737 12.8737 k = 0.5443 0.3503 0.1062 ( 3521 PWs) bands (ev): -7.9912 -7.9912 -6.8756 -6.8756 -4.7911 -4.7911 -2.8359 -2.8359 -2.2580 -2.2580 -2.0793 -2.0793 -0.5810 -0.5810 -0.4452 -0.4452 0.7726 0.7726 0.8713 0.8713 2.6878 2.6878 2.8090 2.8090 3.8605 3.8605 3.9209 3.9209 4.1011 4.1011 5.1679 5.1679 5.4271 5.4271 5.4916 5.4916 5.6781 5.6781 5.6931 5.6931 6.8209 6.8209 7.2803 7.2803 7.3432 7.3432 7.5320 7.5320 9.5182 9.5182 9.5422 9.5422 12.7968 12.7968 12.8658 12.8658 12.8750 12.8750 k = 0.5394 0.3471 0.1208 ( 3513 PWs) bands (ev): -7.9898 -7.9898 -6.8890 -6.8890 -4.7596 -4.7596 -2.8195 -2.8195 -2.2283 -2.2283 -2.0889 -2.0889 -0.6379 -0.6379 -0.5238 -0.5238 0.7998 0.7998 0.8640 0.8640 2.7006 2.7006 2.7989 2.7989 3.8684 3.8684 3.9157 3.9157 4.1256 4.1256 5.2055 5.2055 5.4179 5.4179 5.4674 5.4674 5.6972 5.6972 5.7127 5.7127 6.8573 6.8573 7.3075 7.3075 7.3598 7.3598 7.5432 7.5432 9.4963 9.4963 9.5154 9.5154 12.7416 12.7416 12.8992 12.8992 12.9089 12.9089 k = 0.5345 0.3439 0.1354 ( 3503 PWs) bands (ev): -7.9886 -7.9886 -6.9008 -6.9008 -4.7310 -4.7310 -2.8043 -2.8043 -2.1999 -2.1999 -2.0951 -2.0951 -0.6904 -0.6904 -0.5981 -0.5981 0.8246 0.8246 0.8590 0.8590 2.7126 2.7126 2.7897 2.7897 3.8737 3.8737 3.9094 3.9094 4.1470 4.1470 5.2386 5.2386 5.4088 5.4088 5.4448 5.4448 5.7179 5.7179 5.7321 5.7321 6.8889 6.8889 7.3340 7.3340 7.3761 7.3761 7.5526 7.5526 9.4756 9.4756 9.4902 9.4902 12.6895 12.6895 12.9307 12.9307 12.9431 12.9431 k = 0.5296 0.3408 0.1501 ( 3503 PWs) bands (ev): -7.9876 -7.9876 -6.9111 -6.9111 -4.7057 -4.7057 -2.7909 -2.7909 -2.1733 -2.1733 -2.0981 -2.0981 -0.7380 -0.7380 -0.6667 -0.6667 0.8422 0.8422 0.8605 0.8605 2.7237 2.7237 2.7815 2.7815 3.8766 3.8766 3.9025 3.9025 4.1654 4.1654 5.2670 5.2670 5.4003 5.4003 5.4248 5.4248 5.7385 5.7385 5.7505 5.7505 6.9157 6.9157 7.3592 7.3592 7.3916 7.3916 7.5602 7.5602 9.4563 9.4563 9.4673 9.4673 12.6427 12.6427 12.9597 12.9597 12.9750 12.9750 k = 0.5246 0.3376 0.1647 ( 3492 PWs) bands (ev): -7.9868 -7.9868 -6.9198 -6.9198 -4.6839 -4.6839 -2.7795 -2.7795 -2.1491 -2.1491 -2.0983 -2.0983 -0.7800 -0.7800 -0.7283 -0.7283 0.8446 0.8446 0.8754 0.8754 2.7336 2.7336 2.7744 2.7744 3.8779 3.8779 3.8956 3.8956 4.1808 4.1808 5.2907 5.2907 5.3928 5.3928 5.4078 5.4078 5.7577 5.7577 5.7672 5.7672 6.9378 6.9378 7.3824 7.3824 7.4058 7.4058 7.5664 7.5664 9.4389 9.4389 9.4472 9.4472 12.6020 12.6020 12.9856 12.9856 13.0037 13.0037 k = 0.5197 0.3344 0.1794 ( 3496 PWs) bands (ev): -7.9861 -7.9861 -6.9270 -6.9270 -4.6657 -4.6657 -2.7701 -2.7701 -2.1281 -2.1281 -2.0965 -2.0965 -0.8157 -0.8157 -0.7813 -0.7813 0.8429 0.8429 0.8922 0.8922 2.7420 2.7420 2.7685 2.7685 3.8780 3.8780 3.8893 3.8893 4.1933 4.1933 5.3098 5.3098 5.3864 5.3864 5.3942 5.3942 5.7745 5.7745 5.7815 5.7815 6.9555 6.9555 7.4027 7.4027 7.4182 7.4182 7.5711 7.5711 9.4238 9.4238 9.4301 9.4301 12.5680 12.5680 13.0076 13.0076 13.0283 13.0283 k = 0.5148 0.3312 0.1940 ( 3488 PWs) bands (ev): -7.9856 -7.9856 -6.9325 -6.9325 -4.6513 -4.6513 -2.7630 -2.7630 -2.1107 -2.1107 -2.0934 -2.0934 -0.8444 -0.8444 -0.8244 -0.8244 0.8413 0.8413 0.9061 0.9061 2.7488 2.7488 2.7639 2.7639 3.8774 3.8774 3.8840 3.8840 4.2031 4.2031 5.3239 5.3239 5.3813 5.3813 5.3842 5.3842 5.7882 5.7882 5.7931 5.7931 6.9690 6.9690 7.4194 7.4194 7.4284 7.4284 7.5747 7.5747 9.4114 9.4114 9.4166 9.4166 12.5411 12.5411 13.0253 13.0253 13.0482 13.0482 k = 0.5099 0.3281 0.2086 ( 3480 PWs) bands (ev): -7.9853 -7.9853 -6.9365 -6.9365 -4.6410 -4.6410 -2.7579 -2.7579 -2.0978 -2.0978 -2.0903 -2.0903 -0.8655 -0.8655 -0.8563 -0.8563 0.8400 0.8400 0.9164 0.9164 2.7538 2.7538 2.7605 2.7605 3.8765 3.8765 3.8801 3.8801 4.2101 4.2101 5.3330 5.3330 5.3776 5.3776 5.3781 5.3781 5.7982 5.7982 5.8019 5.8019 6.9785 6.9785 7.4319 7.4319 7.4359 7.4359 7.5771 7.5771 9.4021 9.4021 9.4069 9.4069 12.5216 12.5216 13.0379 13.0379 13.0628 13.0628 k = 0.5049 0.3249 0.2233 ( 3482 PWs) bands (ev): -7.9851 -7.9851 -6.9389 -6.9389 -4.6347 -4.6347 -2.7550 -2.7550 -2.0898 -2.0898 -2.0880 -2.0880 -0.8785 -0.8785 -0.8759 -0.8759 0.8393 0.8393 0.9226 0.9226 2.7568 2.7568 2.7585 2.7585 3.8754 3.8754 3.8780 3.8780 4.2142 4.2142 5.3375 5.3375 5.3752 5.3752 5.3755 5.3755 5.8041 5.8041 5.8074 5.8074 6.9841 6.9841 7.4395 7.4395 7.4406 7.4406 7.5785 7.5785 9.3963 9.3963 9.4011 9.4011 12.5099 12.5099 13.0454 13.0454 13.0717 13.0717 k = 0.5000 0.3217 0.2379 ( 3478 PWs) bands (ev): -7.9850 -7.9850 -6.9397 -6.9397 -4.6326 -4.6326 -2.7540 -2.7540 -2.0871 -2.0871 -2.0871 -2.0871 -0.8833 -0.8833 -0.8820 -0.8820 0.8391 0.8391 0.9247 0.9247 2.7578 2.7578 2.7579 2.7579 3.8749 3.8749 3.8775 3.8775 4.2156 4.2156 5.3387 5.3387 5.3745 5.3745 5.3748 5.3748 5.8060 5.8060 5.8093 5.8093 6.9860 6.9860 7.4420 7.4420 7.4423 7.4423 7.5790 7.5790 9.3944 9.3944 9.3991 9.3991 12.5059 12.5059 13.0478 13.0478 13.0742 13.0743 k = 0.5000-0.2277-0.1683 ( 3552 PWs) bands (ev): -8.2491 -8.2491 -6.3845 -6.3845 -5.3809 -5.3809 -2.5516 -2.5516 -2.1133 -2.1133 -1.7040 -1.7040 -0.1237 -0.1237 -0.0221 -0.0221 0.9042 0.9042 1.6991 1.6991 1.8122 1.8122 2.2758 2.2758 2.8856 2.8856 3.7301 3.7301 4.0643 4.0643 4.9805 4.9805 5.0567 5.0567 5.1037 5.1037 5.5038 5.5038 5.6638 5.6638 6.2618 6.2618 6.2914 6.2914 7.1588 7.1588 8.2358 8.2358 9.1067 9.1067 9.7191 9.7191 12.5245 12.5245 13.7264 13.7264 14.4645 14.4645 k = 0.5081-0.2162-0.1598 ( 3555 PWs) bands (ev): -8.2487 -8.2487 -6.3844 -6.3844 -5.3816 -5.3816 -2.5500 -2.5500 -2.1149 -2.1149 -1.7100 -1.7100 -0.1170 -0.1170 -0.0197 -0.0197 0.9012 0.9012 1.7038 1.7038 1.8111 1.8111 2.2735 2.2735 2.8884 2.8884 3.7216 3.7216 4.0670 4.0670 4.9801 4.9801 5.0301 5.0301 5.1298 5.1298 5.5080 5.5080 5.6649 5.6649 6.2571 6.2571 6.3001 6.3001 7.1583 7.1583 8.2317 8.2317 9.1069 9.1069 9.7189 9.7189 12.5226 12.5226 13.7217 13.7217 14.4670 14.4670 k = 0.5162-0.2047-0.1513 ( 3550 PWs) bands (ev): -8.2474 -8.2474 -6.3841 -6.3841 -5.3838 -5.3838 -2.5451 -2.5451 -2.1196 -2.1196 -1.7277 -1.7277 -0.0975 -0.0975 -0.0127 -0.0127 0.8924 0.8924 1.7179 1.7179 1.8079 1.8079 2.2670 2.2670 2.8970 2.8970 3.6972 3.6972 4.0743 4.0743 4.9791 4.9791 4.9876 4.9876 5.1711 5.1711 5.5201 5.5201 5.6683 5.6683 6.2509 6.2509 6.3185 6.3185 7.1568 7.1568 8.2195 8.2195 9.1074 9.1074 9.7185 9.7185 12.5171 12.5171 13.7079 13.7079 14.4741 14.4741 k = 0.5243-0.1932-0.1429 ( 3542 PWs) bands (ev): -8.2452 -8.2452 -6.3837 -6.3837 -5.3874 -5.3874 -2.5370 -2.5370 -2.1274 -2.1274 -1.7560 -1.7560 -0.0662 -0.0662 -0.0012 -0.0012 0.8785 0.8785 1.7404 1.7404 1.8029 1.8029 2.2566 2.2566 2.9110 2.9110 3.6591 3.6591 4.0842 4.0842 4.9423 4.9423 4.9776 4.9776 5.2158 5.2158 5.5384 5.5384 5.6739 5.6739 6.2486 6.2486 6.3410 6.3410 7.1544 7.1544 8.1992 8.1992 9.1086 9.1086 9.7178 9.7178 12.5083 12.5083 13.6858 13.6858 14.4839 14.4839 k = 0.5324-0.1817-0.1344 ( 3536 PWs) bands (ev): -8.2422 -8.2422 -6.3831 -6.3831 -5.3924 -5.3924 -2.5259 -2.5259 -2.1381 -2.1381 -1.7934 -1.7934 -0.0251 -0.0251 0.0146 0.0146 0.8606 0.8606 1.7703 1.7703 1.7965 1.7965 2.2431 2.2431 2.9300 2.9300 3.6097 3.6097 4.0946 4.0946 4.8958 4.8958 4.9756 4.9756 5.2635 5.2635 5.5607 5.5607 5.6816 5.6816 6.2516 6.2516 6.3658 6.3658 7.1509 7.1509 8.1709 8.1709 9.1107 9.1107 9.7169 9.7169 12.4967 12.4967 13.6564 13.6564 14.4929 14.4929 k = 0.5405-0.1702-0.1259 ( 3538 PWs) bands (ev): -8.2383 -8.2383 -6.3825 -6.3825 -5.3985 -5.3985 -2.5121 -2.5121 -2.1515 -2.1515 -1.8380 -1.8380 0.0238 0.0238 0.0342 0.0342 0.8398 0.8398 1.7893 1.7893 1.8062 1.8062 2.2278 2.2278 2.9536 2.9536 3.5512 3.5512 4.1038 4.1038 4.8491 4.8491 4.9733 4.9733 5.3144 5.3144 5.5852 5.5852 5.6913 5.6913 6.2604 6.2604 6.3921 6.3921 7.1464 7.1464 8.1349 8.1349 9.1141 9.1141 9.7159 9.7159 12.4827 12.4827 13.6212 13.6212 14.4963 14.4963 k = 0.5486-0.1587-0.1174 ( 3534 PWs) bands (ev): -8.2336 -8.2336 -6.3819 -6.3819 -5.4056 -5.4056 -2.4958 -2.4958 -2.1674 -2.1674 -1.8880 -1.8880 0.0573 0.0573 0.0783 0.0783 0.8172 0.8172 1.7818 1.7818 1.8466 1.8466 2.2121 2.2121 2.9811 2.9811 3.4852 3.4852 4.1103 4.1103 4.8029 4.8029 4.9710 4.9710 5.3682 5.3682 5.6107 5.6107 5.7026 5.7026 6.2743 6.2743 6.4195 6.4195 7.1409 7.1409 8.0914 8.0914 9.1192 9.1192 9.7149 9.7149 12.4672 12.4672 13.5815 13.5815 14.4897 14.4897 k = 0.5566-0.1472-0.1089 ( 3540 PWs) bands (ev): -8.2282 -8.2282 -6.3815 -6.3815 -5.4135 -5.4135 -2.4776 -2.4776 -2.1854 -2.1854 -1.9416 -1.9416 0.0833 0.0833 0.1358 0.1358 0.7940 0.7940 1.7748 1.7748 1.8896 1.8896 2.1982 2.1982 3.0120 3.0120 3.4132 3.4132 4.1129 4.1129 4.7581 4.7581 4.9689 4.9689 5.4242 5.4242 5.6371 5.6371 5.7155 5.7155 6.2924 6.2924 6.4479 6.4479 7.1342 7.1342 8.0407 8.0407 9.1267 9.1267 9.7140 9.7140 12.4508 12.4508 13.5386 13.5386 14.4718 14.4718 k = 0.5647-0.1357-0.1004 ( 3534 PWs) bands (ev): -8.2220 -8.2220 -6.3812 -6.3812 -5.4220 -5.4220 -2.4583 -2.4583 -2.2053 -2.2053 -1.9968 -1.9968 0.1117 0.1117 0.1941 0.1941 0.7714 0.7714 1.7691 1.7691 1.9330 1.9330 2.1891 2.1891 3.0457 3.0457 3.3364 3.3364 4.1107 4.1107 4.7155 4.7155 4.9671 4.9671 5.4805 5.4805 5.6658 5.6658 5.7297 5.7297 6.3126 6.3126 6.4778 6.4778 7.1263 7.1263 7.9832 7.9832 9.1371 9.1371 9.7131 9.7131 12.4341 12.4341 13.4939 13.4939 14.4447 14.4447 k = 0.5728-0.1242-0.0919 ( 3534 PWs) bands (ev): -8.2150 -8.2150 -6.3813 -6.3813 -5.4309 -5.4309 -2.4390 -2.4390 -2.2268 -2.2268 -2.0516 -2.0516 0.1419 0.1419 0.2503 0.2503 0.7506 0.7506 1.7652 1.7652 1.9732 1.9732 2.1889 2.1889 3.0815 3.0815 3.2557 3.2557 4.1028 4.1028 4.6757 4.6757 4.9661 4.9661 5.5337 5.5337 5.7000 5.7000 5.7449 5.7449 6.3322 6.3322 6.5098 6.5098 7.1170 7.1170 7.9194 7.9194 9.1509 9.1509 9.7124 9.7124 12.4180 12.4180 13.4483 13.4483 14.4113 14.4113 k = 0.5809-0.1127-0.0834 ( 3530 PWs) bands (ev): -8.2074 -8.2074 -6.3819 -6.3819 -5.4398 -5.4398 -2.4220 -2.4220 -2.2495 -2.2495 -2.1028 -2.1028 0.1732 0.1732 0.3016 0.3016 0.7331 0.7331 1.7639 1.7639 2.0061 2.0061 2.2028 2.2028 3.1189 3.1189 3.1722 3.1722 4.0885 4.0885 4.6392 4.6392 4.9661 4.9661 5.5795 5.5795 5.7440 5.7440 5.7610 5.7610 6.3485 6.3485 6.5451 6.5451 7.1063 7.1063 7.8499 7.8499 9.1685 9.1685 9.7120 9.7120 12.4030 12.4030 13.4026 13.4026 14.3742 14.3742 k = 0.5890-0.1013-0.0749 ( 3529 PWs) bands (ev): -8.1992 -8.1992 -6.3831 -6.3831 -5.4484 -5.4484 -2.4114 -2.4114 -2.2732 -2.2732 -2.1461 -2.1461 0.2049 0.2049 0.3447 0.3447 0.7208 0.7208 1.7660 1.7660 2.0300 2.0300 2.2331 2.2331 3.0868 3.0868 3.1572 3.1572 4.0675 4.0675 4.6062 4.6062 4.9673 4.9673 5.6156 5.6156 5.7777 5.7777 5.8005 5.8005 6.3591 6.3591 6.5842 6.5842 7.0938 7.0938 7.7753 7.7753 9.1902 9.1902 9.7119 9.7119 12.3897 12.3897 13.3575 13.3575 14.3347 14.3347 k = 0.5971-0.0898-0.0664 ( 3533 PWs) bands (ev): -8.1903 -8.1903 -6.3850 -6.3850 -5.4566 -5.4566 -2.4134 -2.4134 -2.2977 -2.2977 -2.1745 -2.1745 0.2364 0.2364 0.3763 0.3763 0.7155 0.7155 1.7719 1.7719 2.0484 2.0484 2.2773 2.2773 3.0005 3.0005 3.1959 3.1959 4.0399 4.0399 4.5766 4.5766 4.9701 4.9701 5.6436 5.6436 5.7948 5.7948 5.8677 5.8677 6.3626 6.3626 6.6270 6.6270 7.0791 7.0791 7.6967 7.6967 9.2163 9.2163 9.7122 9.7122 12.3786 12.3786 13.3134 13.3134 14.2940 14.2940 k = 0.6052-0.0783-0.0579 ( 3531 PWs) bands (ev): -8.1810 -8.1810 -6.3877 -6.3877 -5.4640 -5.4640 -2.4331 -2.4331 -2.3226 -2.3226 -2.1829 -2.1829 0.2670 0.2670 0.3942 0.3942 0.7183 0.7183 1.7825 1.7825 2.0667 2.0667 2.3300 2.3300 2.9150 2.9150 3.2345 3.2345 4.0059 4.0059 4.5499 4.5499 4.9747 4.9747 5.6669 5.6669 5.8120 5.8120 5.9423 5.9423 6.3588 6.3588 6.6727 6.6727 7.0616 7.0616 7.6150 7.6150 9.2467 9.2467 9.7127 9.7127 12.3701 12.3701 13.2705 13.2705 14.2526 14.2526 k = 0.6133-0.0668-0.0494 ( 3526 PWs) bands (ev): -8.1712 -8.1712 -6.3915 -6.3915 -5.4704 -5.4704 -2.4683 -2.4683 -2.3478 -2.3478 -2.1732 -2.1732 0.2963 0.2963 0.3984 0.3984 0.7283 0.7283 1.7981 1.7981 2.0887 2.0887 2.3863 2.3863 2.8324 2.8324 3.2724 3.2724 3.9664 3.9664 4.5256 4.5256 4.9814 4.9814 5.6882 5.6882 5.8291 5.8291 6.0209 6.0209 6.3483 6.3483 6.7203 6.7203 7.0404 7.0404 7.5318 7.5318 9.2813 9.2813 9.7137 9.7137 12.3646 12.3646 13.2288 13.2288 14.1954 14.1954 k = 0.6214-0.0553-0.0409 ( 3522 PWs) bands (ev): -8.1610 -8.1610 -6.3963 -6.3963 -5.4755 -5.4755 -2.5125 -2.5125 -2.3730 -2.3730 -2.1518 -2.1518 0.3236 0.3236 0.3908 0.3908 0.7429 0.7429 1.8192 1.8192 2.1157 2.1157 2.4408 2.4408 2.7576 2.7576 3.3092 3.3092 3.9221 3.9221 4.5030 4.5030 4.9905 4.9905 5.7089 5.7089 5.8459 5.8459 6.1001 6.1001 6.3333 6.3333 6.7686 6.7686 7.0139 7.0139 7.4492 7.4492 9.3197 9.3197 9.7152 9.7152 12.3624 12.3624 13.1880 13.1880 14.0653 14.0653 k = 0.6295-0.0438-0.0324 ( 3526 PWs) bands (ev): -8.1505 -8.1505 -6.4023 -6.4023 -5.4792 -5.4792 -2.5605 -2.5605 -2.3981 -2.3981 -2.1238 -2.1238 0.3485 0.3485 0.3744 0.3744 0.7595 0.7595 1.8461 1.8461 2.1460 2.1460 2.4825 2.4825 2.7033 2.7033 3.3444 3.3444 3.8739 3.8739 4.4816 4.4816 5.0021 5.0021 5.7300 5.7300 5.8622 5.8622 6.1710 6.1710 6.3222 6.3222 6.8169 6.8169 6.9799 6.9799 7.3699 7.3699 9.3613 9.3613 9.7171 9.7171 12.3635 12.3635 13.1474 13.1474 13.9426 13.9426 k = 0.6376-0.0323-0.0239 ( 3524 PWs) bands (ev): -8.1398 -8.1398 -6.4095 -6.4095 -5.4813 -5.4813 -2.6094 -2.6094 -2.4228 -2.4228 -2.0922 -2.0922 0.3515 0.3515 0.3708 0.3708 0.7762 0.7762 1.8790 1.8790 2.1738 2.1738 2.4923 2.4923 2.6942 2.6942 3.3775 3.3775 3.8224 3.8224 4.4608 4.4608 5.0165 5.0165 5.7521 5.7521 5.8777 5.8777 6.2043 6.2043 6.3438 6.3438 6.8642 6.8642 6.9354 6.9354 7.2975 7.2975 9.4055 9.4055 9.7196 9.7196 12.3681 12.3681 13.1063 13.1063 13.8288 13.8288 k = 0.6457-0.0208-0.0154 ( 3526 PWs) bands (ev): -8.1290 -8.1290 -6.4179 -6.4179 -5.4816 -5.4816 -2.6576 -2.6576 -2.4470 -2.4470 -2.0586 -2.0586 0.3237 0.3237 0.3903 0.3903 0.7923 0.7923 1.9179 1.9179 2.1855 2.1855 2.4809 2.4809 2.7317 2.7317 3.4081 3.4081 3.7687 3.7687 4.4405 4.4405 5.0337 5.0337 5.7751 5.7751 5.8923 5.8923 6.1873 6.1873 6.4110 6.4110 6.8780 6.8780 6.9101 6.9101 7.2350 7.2350 9.4514 9.4514 9.7227 9.7227 12.3759 12.3759 13.0632 13.0632 13.7257 13.7257 k = 0.6538-0.0093-0.0069 ( 3533 PWs) bands (ev): -8.1182 -8.1182 -6.4274 -6.4274 -5.4800 -5.4800 -2.7040 -2.7040 -2.4706 -2.4706 -2.0239 -2.0239 0.2920 0.2920 0.4069 0.4069 0.8080 0.8080 1.9626 1.9626 2.1648 2.1648 2.4892 2.4892 2.7900 2.7900 3.4359 3.4359 3.7133 3.7133 4.4203 4.4203 5.0540 5.0540 5.7991 5.7991 5.9058 5.9058 6.1494 6.1494 6.4947 6.4947 6.8068 6.8068 6.9540 6.9540 7.1838 7.1838 9.4983 9.4983 9.7265 9.7265 12.3867 12.3867 13.0169 13.0169 13.6349 13.6349 k = 0.6618 0.0022 0.0016 ( 3527 PWs) bands (ev): -8.1075 -8.1075 -6.4379 -6.4379 -5.4766 -5.4766 -2.7482 -2.7482 -2.4934 -2.4934 -1.9888 -1.9888 0.2571 0.2571 0.4208 0.4208 0.8238 0.8238 2.0129 2.0129 2.1123 2.1123 2.5282 2.5282 2.8557 2.8557 3.4606 3.4606 3.6572 3.6572 4.4005 4.4005 5.0772 5.0772 5.8233 5.8233 5.9180 5.9180 6.1035 6.1035 6.5826 6.5826 6.7239 6.7239 6.9957 6.9957 7.1425 7.1425 9.5450 9.5450 9.7311 9.7311 12.4002 12.4002 12.9658 12.9658 13.5582 13.5582 k = 0.6699 0.0136 0.0101 ( 3533 PWs) bands (ev): -8.0971 -8.0971 -6.4493 -6.4493 -5.4714 -5.4714 -2.7896 -2.7896 -2.5153 -2.5153 -1.9539 -1.9539 0.2196 0.2196 0.4321 0.4321 0.8405 0.8405 2.0416 2.0416 2.0684 2.0684 2.5869 2.5869 2.9238 2.9238 3.4820 3.4820 3.6013 3.6013 4.3810 4.3810 5.1032 5.1032 5.8459 5.8459 5.9286 5.9286 6.0551 6.0551 6.6325 6.6325 6.6711 6.6711 7.0350 7.0350 7.1085 7.1085 9.5905 9.5905 9.7366 9.7366 12.4156 12.4156 12.9093 12.9093 13.4966 13.4966 k = 0.6780 0.0251 0.0186 ( 3532 PWs) bands (ev): -8.0870 -8.0870 -6.4614 -6.4614 -5.4644 -5.4644 -2.8279 -2.8279 -2.5362 -2.5362 -1.9194 -1.9194 0.1799 0.1799 0.4411 0.4411 0.8588 0.8588 1.9627 1.9627 2.1285 2.1285 2.6548 2.6548 2.9922 2.9922 3.4999 3.4999 3.5474 3.5474 4.3621 4.3621 5.1319 5.1319 5.8608 5.8608 5.9375 5.9375 6.0118 6.0118 6.5359 6.5359 6.7582 6.7582 7.0723 7.0723 7.0793 7.0793 9.6340 9.6340 9.7433 9.7433 12.4323 12.4323 12.8476 12.8476 13.4500 13.4500 k = 0.6861 0.0366 0.0271 ( 3532 PWs) bands (ev): -8.0775 -8.0775 -6.4740 -6.4740 -5.4558 -5.4558 -2.8629 -2.8629 -2.5560 -2.5560 -1.8857 -1.8857 0.1384 0.1384 0.4480 0.4480 0.8790 0.8790 1.8804 1.8804 2.1927 2.1927 2.7251 2.7251 3.0593 3.0593 3.4979 3.4979 3.5141 3.5141 4.3441 4.3441 5.1630 5.1630 5.8528 5.8528 5.9443 5.9443 5.9899 5.9899 6.4372 6.4372 6.8419 6.8419 7.0530 7.0530 7.1084 7.1084 9.6743 9.6743 9.7511 9.7511 12.4494 12.4494 12.7821 12.7821 13.4173 13.4173 k = 0.6942 0.0481 0.0356 ( 3532 PWs) bands (ev): -8.0686 -8.0686 -6.4868 -6.4868 -5.4456 -5.4456 -2.8944 -2.8944 -2.5747 -2.5747 -1.8531 -1.8531 0.0957 0.0957 0.4531 0.4531 0.9015 0.9015 1.7974 1.7974 2.2604 2.2604 2.7915 2.7915 3.1232 3.1232 3.4569 3.4569 3.5247 3.5247 4.3273 4.3273 5.1961 5.1961 5.8136 5.8136 5.9483 5.9483 5.9988 5.9988 6.3389 6.3389 6.9193 6.9193 7.0283 7.0283 7.1452 7.1452 9.7107 9.7107 9.7603 9.7603 12.4660 12.4660 12.7146 12.7146 13.3966 13.3966 k = 0.7023 0.0596 0.0441 ( 3527 PWs) bands (ev): -8.0605 -8.0605 -6.4997 -6.4997 -5.4340 -5.4340 -2.9223 -2.9223 -2.5921 -2.5921 -1.8217 -1.8217 0.0521 0.0521 0.4569 0.4569 0.9263 0.9263 1.7150 1.7150 2.3308 2.3308 2.8470 2.8470 3.1816 3.1816 3.4317 3.4317 3.5314 3.5314 4.3119 4.3119 5.2304 5.2304 5.7582 5.7582 5.9478 5.9478 6.0244 6.0244 6.2445 6.2445 6.9861 6.9861 7.0044 7.0044 7.1860 7.1860 9.7421 9.7421 9.7710 9.7710 12.4810 12.4810 12.6472 12.6472 13.3861 13.3861 k = 0.7104 0.0711 0.0526 ( 3529 PWs) bands (ev): -8.0534 -8.0534 -6.5122 -6.5122 -5.4212 -5.4212 -2.9463 -2.9463 -2.6082 -2.6082 -1.7917 -1.7917 0.0081 0.0081 0.4596 0.4596 0.9529 0.9529 1.6348 1.6348 2.4031 2.4031 2.8825 2.8825 3.2324 3.2324 3.4310 3.4310 3.5345 3.5345 4.2984 4.2984 5.2652 5.2652 5.6975 5.6975 5.9387 5.9387 6.0568 6.0568 6.1598 6.1598 6.9807 6.9807 7.0375 7.0375 7.2349 7.2349 9.7680 9.7680 9.7834 9.7834 12.4938 12.4938 12.5815 12.5815 13.3840 13.3840 k = 0.7185 0.0826 0.0611 ( 3531 PWs) bands (ev): -8.0474 -8.0474 -6.5241 -6.5241 -5.4074 -5.4074 -2.9664 -2.9664 -2.6230 -2.6230 -1.7633 -1.7633 -0.0360 -0.0360 0.4614 0.4614 0.9804 0.9804 1.5582 1.5582 2.4765 2.4765 2.8906 2.8906 3.2775 3.2775 3.4584 3.4584 3.5339 3.5339 4.2870 4.2870 5.2995 5.2995 5.6361 5.6361 5.9122 5.9122 6.0924 6.0924 6.0957 6.0957 6.9569 6.9569 7.0716 7.0716 7.2930 7.2930 9.7877 9.7877 9.7974 9.7974 12.5038 12.5038 12.5191 12.5191 13.3891 13.3891 k = 0.7266 0.0941 0.0696 ( 3535 PWs) bands (ev): -8.0426 -8.0426 -6.5352 -6.5352 -5.3928 -5.3928 -2.9825 -2.9825 -2.6364 -2.6364 -1.7366 -1.7366 -0.0797 -0.0797 0.4627 0.4627 1.0068 1.0068 1.4876 1.4876 2.5500 2.5500 2.8715 2.8715 3.3216 3.3216 3.5073 3.5073 3.5295 3.5295 4.2779 4.2779 5.3316 5.3316 5.5766 5.5766 5.8613 5.8613 6.0612 6.0612 6.1300 6.1300 6.9328 6.9328 7.0912 7.0912 7.3568 7.3568 9.8015 9.8015 9.8128 9.8128 12.4609 12.4609 12.5107 12.5107 13.4003 13.4003 Writing output data file B4C.save init_run : 0.14s CPU 0.34s WALL ( 1 calls) electrons : 138.78s CPU 141.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 138.78s CPU 141.96s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 265 calls) cegterg : 119.22s CPU 120.76s WALL ( 370 calls) Called by sum_band: Called by *egterg: h_psi : 81.93s CPU 83.22s WALL ( 5959 calls) s_psi : 4.03s CPU 4.15s WALL ( 5959 calls) g_psi : 0.19s CPU 0.16s WALL ( 5324 calls) cdiaghg : 39.52s CPU 39.89s WALL ( 5589 calls) cegterg:over : 4.11s CPU 4.16s WALL ( 5324 calls) cegterg:upda : 3.18s CPU 3.20s WALL ( 5324 calls) cegterg:last : 2.10s CPU 2.11s WALL ( 900 calls) cdiaghg:chol : 2.18s CPU 2.19s WALL ( 5589 calls) cdiaghg:inve : 1.50s CPU 1.50s WALL ( 5589 calls) cdiaghg:para : 2.44s CPU 2.39s WALL ( 11178 calls) Called by h_psi: h_psi:vloc : 70.63s CPU 71.81s WALL ( 5959 calls) h_psi:vnl : 11.10s CPU 11.23s WALL ( 5959 calls) add_vuspsi : 4.99s CPU 4.90s WALL ( 5959 calls) General routines calbec : 6.08s CPU 6.32s WALL ( 5959 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.03s CPU 67.18s WALL ( 689796 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.17s WALL ( 530 calls) Parallel routines fft_scatter : 21.25s CPU 21.31s WALL ( 689819 calls) PWSCF : 2m31.55s CPU 2m55.58s WALL This run was terminated on: 16:36:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=