Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:46:31 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeCu2GeSe4.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 82 63 17 2010 1355 205 Max 83 64 18 2013 1379 208 Sum 2959 2285 645 72387 49265 7457 bravais-lattice index = 14 lattice parameter (alat) = 12.8545 a.u. unit-cell volume = 1167.3906 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.854492 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.662339 celldm(5)= -0.662339 celldm(6)= 0.324677 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.324677 0.945825 0.000000 ) a(3) = ( -0.662339 -0.472912 0.581086 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.343274 0.860457 ) b(2) = ( 0.000000 1.057278 0.860457 ) b(3) = ( 0.000000 0.000000 1.720914 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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. # 4 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Fe 8.00 55.84500 Fe( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0215114), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0430229), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0645343), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0860457), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.1075571), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.1290686), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.1505800), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.1720914), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1936029), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.2151143), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.2366257), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.2581372), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.2796486), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.3011600), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.3226714), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.3441829), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.3656943), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.3872057), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.4087172), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.4302286), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.4517400), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.4732514), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.4947629), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.5162743), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.5377857), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.5592972), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.5808086), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.6023200), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.6238315), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.6453429), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.6668543), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.6883657), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.7098772), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.7313886), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.7529000), wk = 0.0036101 k( 37) = ( 0.0000000 0.0000000 0.7744115), wk = 0.0036101 k( 38) = ( 0.0000000 0.0000000 0.7959229), wk = 0.0036101 k( 39) = ( 0.0000000 0.0000000 0.8174343), wk = 0.0036101 k( 40) = ( 0.0000000 0.0000000 0.8389457), wk = 0.0036101 k( 41) = ( 0.0000000 0.0000000 0.8604572), wk = 0.0036101 k( 42) = ( 0.0000000 0.0000000 0.8604572), wk = 0.0036101 k( 43) = ( -0.0115864 0.0162274 0.8604572), wk = 0.0036101 k( 44) = ( -0.0231728 0.0324547 0.8604572), wk = 0.0036101 k( 45) = ( -0.0347592 0.0486821 0.8604572), wk = 0.0036101 k( 46) = ( -0.0463456 0.0649095 0.8604572), wk = 0.0036101 k( 47) = ( -0.0579320 0.0811368 0.8604572), wk = 0.0036101 k( 48) = ( -0.0695184 0.0973642 0.8604572), wk = 0.0036101 k( 49) = ( -0.0811049 0.1135916 0.8604572), wk = 0.0036101 k( 50) = ( -0.0926913 0.1298189 0.8604572), wk = 0.0036101 k( 51) = ( -0.1042777 0.1460463 0.8604572), wk = 0.0036101 k( 52) = ( -0.1158641 0.1622737 0.8604572), wk = 0.0036101 k( 53) = ( -0.1274505 0.1785010 0.8604572), wk = 0.0036101 k( 54) = ( -0.1274505 0.1785010 0.8604572), wk = 0.0036101 k( 55) = ( -0.1363207 0.1909242 0.8451923), wk = 0.0036101 k( 56) = ( -0.1451909 0.2033475 0.8299274), wk = 0.0036101 k( 57) = ( -0.1540612 0.2157707 0.8146625), wk = 0.0036101 k( 58) = ( -0.1629314 0.2281939 0.7993976), wk = 0.0036101 k( 59) = ( -0.1718016 0.2406171 0.7841327), wk = 0.0036101 k( 60) = ( -0.1806718 0.2530403 0.7688678), wk = 0.0036101 k( 61) = ( -0.1895421 0.2654635 0.7536029), wk = 0.0036101 k( 62) = ( -0.1984123 0.2778868 0.7383380), wk = 0.0036101 k( 63) = ( -0.2072825 0.2903100 0.7230731), wk = 0.0036101 k( 64) = ( -0.2161527 0.3027332 0.7078082), wk = 0.0036101 k( 65) = ( -0.2250230 0.3151564 0.6925433), wk = 0.0036101 k( 66) = ( -0.2338932 0.3275796 0.6772784), wk = 0.0036101 k( 67) = ( -0.2427634 0.3400028 0.6620135), wk = 0.0036101 k( 68) = ( -0.2516336 0.3524260 0.6467486), wk = 0.0036101 k( 69) = ( -0.2605039 0.3648493 0.6314837), wk = 0.0036101 k( 70) = ( -0.2693741 0.3772725 0.6162188), wk = 0.0036101 k( 71) = ( -0.2782443 0.3896957 0.6009539), wk = 0.0036101 k( 72) = ( -0.2871146 0.4021189 0.5856890), wk = 0.0036101 k( 73) = ( -0.2959848 0.4145421 0.5704241), wk = 0.0036101 k( 74) = ( -0.3048550 0.4269653 0.5551592), wk = 0.0036101 k( 75) = ( -0.3137252 0.4393885 0.5398943), wk = 0.0036101 k( 76) = ( -0.3137252 0.4393885 0.5398943), wk = 0.0036101 k( 77) = ( -0.3050106 0.4271833 0.5248972), wk = 0.0036101 k( 78) = ( -0.2962961 0.4149781 0.5099001), wk = 0.0036101 k( 79) = ( -0.2875815 0.4027728 0.4949031), wk = 0.0036101 k( 80) = ( -0.2788669 0.3905676 0.4799060), wk = 0.0036101 k( 81) = ( -0.2701523 0.3783624 0.4649090), wk = 0.0036101 k( 82) = ( -0.2614377 0.3661571 0.4499119), wk = 0.0036101 k( 83) = ( -0.2527231 0.3539519 0.4349148), wk = 0.0036101 k( 84) = ( -0.2440085 0.3417466 0.4199178), wk = 0.0036101 k( 85) = ( -0.2352939 0.3295414 0.4049207), wk = 0.0036101 k( 86) = ( -0.2265793 0.3173362 0.3899236), wk = 0.0036101 k( 87) = ( -0.2178647 0.3051309 0.3749266), wk = 0.0036101 k( 88) = ( -0.2091502 0.2929257 0.3599295), wk = 0.0036101 k( 89) = ( -0.2004356 0.2807205 0.3449324), wk = 0.0036101 k( 90) = ( -0.1917210 0.2685152 0.3299354), wk = 0.0036101 k( 91) = ( -0.1830064 0.2563100 0.3149383), wk = 0.0036101 k( 92) = ( -0.1742918 0.2441047 0.2999413), wk = 0.0036101 k( 93) = ( -0.1655772 0.2318995 0.2849442), wk = 0.0036101 k( 94) = ( -0.1568626 0.2196943 0.2699471), wk = 0.0036101 k( 95) = ( -0.1481480 0.2074890 0.2549501), wk = 0.0036101 k( 96) = ( -0.1394334 0.1952838 0.2399530), wk = 0.0036101 k( 97) = ( -0.1307188 0.1830786 0.2249559), wk = 0.0036101 k( 98) = ( -0.1220043 0.1708733 0.2099589), wk = 0.0036101 k( 99) = ( -0.1132897 0.1586681 0.1949618), wk = 0.0036101 k( 100) = ( -0.1045751 0.1464628 0.1799648), wk = 0.0036101 k( 101) = ( -0.0958605 0.1342576 0.1649677), wk = 0.0036101 k( 102) = ( -0.0871459 0.1220524 0.1499706), wk = 0.0036101 k( 103) = ( -0.0784313 0.1098471 0.1349736), wk = 0.0036101 k( 104) = ( -0.0697167 0.0976419 0.1199765), wk = 0.0036101 k( 105) = ( -0.0610021 0.0854367 0.1049794), wk = 0.0036101 k( 106) = ( -0.0522875 0.0732314 0.0899824), wk = 0.0036101 k( 107) = ( -0.0435729 0.0610262 0.0749853), wk = 0.0036101 k( 108) = ( -0.0348584 0.0488209 0.0599883), wk = 0.0036101 k( 109) = ( -0.0261438 0.0366157 0.0449912), wk = 0.0036101 k( 110) = ( -0.0174292 0.0244105 0.0299941), wk = 0.0036101 k( 111) = ( -0.0087146 0.0122052 0.0149971), wk = 0.0036101 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 114) = ( 0.0172414 0.0123104 -0.0000000), wk = 0.0036101 k( 115) = ( 0.0344828 0.0246208 -0.0000000), wk = 0.0036101 k( 116) = ( 0.0517241 0.0369312 -0.0000000), wk = 0.0036101 k( 117) = ( 0.0689655 0.0492417 -0.0000000), wk = 0.0036101 k( 118) = ( 0.0862069 0.0615521 -0.0000000), wk = 0.0036101 k( 119) = ( 0.1034483 0.0738625 -0.0000000), wk = 0.0036101 k( 120) = ( 0.1206897 0.0861729 -0.0000000), wk = 0.0036101 k( 121) = ( 0.1379310 0.0984833 -0.0000000), wk = 0.0036101 k( 122) = ( 0.1551724 0.1107937 -0.0000000), wk = 0.0036101 k( 123) = ( 0.1724138 0.1231042 -0.0000000), wk = 0.0036101 k( 124) = ( 0.1896552 0.1354146 -0.0000000), wk = 0.0036101 k( 125) = ( 0.2068966 0.1477250 -0.0000000), wk = 0.0036101 k( 126) = ( 0.2241379 0.1600354 -0.0000000), wk = 0.0036101 k( 127) = ( 0.2413793 0.1723458 -0.0000000), wk = 0.0036101 k( 128) = ( 0.2586207 0.1846562 -0.0000000), wk = 0.0036101 k( 129) = ( 0.2758621 0.1969667 -0.0000000), wk = 0.0036101 k( 130) = ( 0.2931034 0.2092771 -0.0000000), wk = 0.0036101 k( 131) = ( 0.3103448 0.2215875 -0.0000000), wk = 0.0036101 k( 132) = ( 0.3275862 0.2338979 -0.0000000), wk = 0.0036101 k( 133) = ( 0.3448276 0.2462083 -0.0000000), wk = 0.0036101 k( 134) = ( 0.3620690 0.2585187 -0.0000000), wk = 0.0036101 k( 135) = ( 0.3793103 0.2708292 -0.0000000), wk = 0.0036101 k( 136) = ( 0.3965517 0.2831396 -0.0000000), wk = 0.0036101 k( 137) = ( 0.4137931 0.2954500 -0.0000000), wk = 0.0036101 k( 138) = ( 0.4310345 0.3077604 -0.0000000), wk = 0.0036101 k( 139) = ( 0.4482759 0.3200708 -0.0000000), wk = 0.0036101 k( 140) = ( 0.4655172 0.3323812 -0.0000000), wk = 0.0036101 k( 141) = ( 0.4827586 0.3446917 -0.0000000), wk = 0.0036101 k( 142) = ( 0.5000000 0.3570021 -0.0000000), wk = 0.0036101 k( 143) = ( 0.5000000 0.3570021 -0.0000000), wk = 0.0036101 k( 144) = ( 0.4911298 0.3694253 0.0152649), wk = 0.0036101 k( 145) = ( 0.4822595 0.3818485 0.0305298), wk = 0.0036101 k( 146) = ( 0.4733893 0.3942717 0.0457947), wk = 0.0036101 k( 147) = ( 0.4645191 0.4066949 0.0610596), wk = 0.0036101 k( 148) = ( 0.4556489 0.4191181 0.0763245), wk = 0.0036101 k( 149) = ( 0.4467786 0.4315414 0.0915894), wk = 0.0036101 k( 150) = ( 0.4379084 0.4439646 0.1068543), wk = 0.0036101 k( 151) = ( 0.4290382 0.4563878 0.1221192), wk = 0.0036101 k( 152) = ( 0.4201680 0.4688110 0.1373841), wk = 0.0036101 k( 153) = ( 0.4112977 0.4812342 0.1526490), wk = 0.0036101 k( 154) = ( 0.4024275 0.4936574 0.1679139), wk = 0.0036101 k( 155) = ( 0.3935573 0.5060806 0.1831788), wk = 0.0036101 k( 156) = ( 0.3846870 0.5185039 0.1984437), wk = 0.0036101 k( 157) = ( 0.3758168 0.5309271 0.2137086), wk = 0.0036101 k( 158) = ( 0.3669466 0.5433503 0.2289735), wk = 0.0036101 k( 159) = ( 0.3580764 0.5557735 0.2442384), wk = 0.0036101 k( 160) = ( 0.3492061 0.5681967 0.2595033), wk = 0.0036101 k( 161) = ( 0.3403359 0.5806199 0.2747682), wk = 0.0036101 k( 162) = ( 0.3314657 0.5930432 0.2900331), wk = 0.0036101 k( 163) = ( 0.3225955 0.6054664 0.3052980), wk = 0.0036101 k( 164) = ( 0.3137252 0.6178896 0.3205629), wk = 0.0036101 k( 165) = ( 0.3137252 0.6178896 0.3205629), wk = 0.0036101 k( 166) = ( 0.2941174 0.6123114 0.3274170), wk = 0.0036101 k( 167) = ( 0.2745096 0.6067333 0.3342711), wk = 0.0036101 k( 168) = ( 0.2549018 0.6011551 0.3411252), wk = 0.0036101 k( 169) = ( 0.2352939 0.5955769 0.3479793), wk = 0.0036101 k( 170) = ( 0.2156861 0.5899988 0.3548334), wk = 0.0036101 k( 171) = ( 0.1960783 0.5844206 0.3616875), wk = 0.0036101 k( 172) = ( 0.1764705 0.5788425 0.3685416), wk = 0.0036101 k( 173) = ( 0.1568626 0.5732643 0.3753957), wk = 0.0036101 k( 174) = ( 0.1372548 0.5676862 0.3822499), wk = 0.0036101 k( 175) = ( 0.1176470 0.5621080 0.3891040), wk = 0.0036101 k( 176) = ( 0.0980391 0.5565298 0.3959581), wk = 0.0036101 k( 177) = ( 0.0784313 0.5509517 0.4028122), wk = 0.0036101 k( 178) = ( 0.0588235 0.5453735 0.4096663), wk = 0.0036101 k( 179) = ( 0.0392156 0.5397954 0.4165204), wk = 0.0036101 k( 180) = ( 0.0196078 0.5342172 0.4233745), wk = 0.0036101 k( 181) = ( 0.0000000 0.5286391 0.4302286), wk = 0.0036101 k( 182) = ( 0.0000000 0.5286391 0.4302286), wk = 0.0036101 k( 183) = ( 0.0086207 0.5165653 0.4450641), wk = 0.0036101 k( 184) = ( 0.0172414 0.5044916 0.4598995), wk = 0.0036101 k( 185) = ( 0.0258621 0.4924179 0.4747350), wk = 0.0036101 k( 186) = ( 0.0344828 0.4803442 0.4895705), wk = 0.0036101 k( 187) = ( 0.0431035 0.4682704 0.5044059), wk = 0.0036101 k( 188) = ( 0.0517241 0.4561967 0.5192414), wk = 0.0036101 k( 189) = ( 0.0603448 0.4441230 0.5340769), wk = 0.0036101 k( 190) = ( 0.0689655 0.4320493 0.5489123), wk = 0.0036101 k( 191) = ( 0.0775862 0.4199755 0.5637478), wk = 0.0036101 k( 192) = ( 0.0862069 0.4079018 0.5785833), wk = 0.0036101 k( 193) = ( 0.0948276 0.3958281 0.5934187), wk = 0.0036101 k( 194) = ( 0.1034483 0.3837544 0.6082542), wk = 0.0036101 k( 195) = ( 0.1120690 0.3716806 0.6230897), wk = 0.0036101 k( 196) = ( 0.1206897 0.3596069 0.6379252), wk = 0.0036101 k( 197) = ( 0.1293103 0.3475332 0.6527606), wk = 0.0036101 k( 198) = ( 0.1379310 0.3354595 0.6675961), wk = 0.0036101 k( 199) = ( 0.1465517 0.3233857 0.6824315), wk = 0.0036101 k( 200) = ( 0.1551724 0.3113120 0.6972670), wk = 0.0036101 k( 201) = ( 0.1637931 0.2992383 0.7121025), wk = 0.0036101 k( 202) = ( 0.1724138 0.2871646 0.7269380), wk = 0.0036101 k( 203) = ( 0.1810345 0.2750908 0.7417734), wk = 0.0036101 k( 204) = ( 0.1896552 0.2630171 0.7566089), wk = 0.0036101 k( 205) = ( 0.1982759 0.2509434 0.7714444), wk = 0.0036101 k( 206) = ( 0.2068966 0.2388697 0.7862798), wk = 0.0036101 k( 207) = ( 0.2155172 0.2267959 0.8011153), wk = 0.0036101 k( 208) = ( 0.2241379 0.2147222 0.8159508), wk = 0.0036101 k( 209) = ( 0.2327586 0.2026485 0.8307862), wk = 0.0036101 k( 210) = ( 0.2413793 0.1905748 0.8456217), wk = 0.0036101 k( 211) = ( 0.2500000 0.1785010 0.8604572), wk = 0.0036101 k( 212) = ( 0.2500000 0.1785010 0.8604572), wk = 0.0036101 k( 213) = ( 0.2638889 0.1884178 0.8482721), wk = 0.0036101 k( 214) = ( 0.2777778 0.1983345 0.8360870), wk = 0.0036101 k( 215) = ( 0.2916667 0.2082512 0.8239020), wk = 0.0036101 k( 216) = ( 0.3055556 0.2181679 0.8117169), wk = 0.0036101 k( 217) = ( 0.3194444 0.2280847 0.7995318), wk = 0.0036101 k( 218) = ( 0.3333333 0.2380014 0.7873467), wk = 0.0036101 k( 219) = ( 0.3472222 0.2479181 0.7751616), wk = 0.0036101 k( 220) = ( 0.3611111 0.2578348 0.7629766), wk = 0.0036101 k( 221) = ( 0.3750000 0.2677516 0.7507915), wk = 0.0036101 k( 222) = ( 0.3888889 0.2776683 0.7386064), wk = 0.0036101 k( 223) = ( 0.4027778 0.2875850 0.7264214), wk = 0.0036101 k( 224) = ( 0.4166667 0.2975017 0.7142363), wk = 0.0036101 k( 225) = ( 0.4305556 0.3074185 0.7020512), wk = 0.0036101 k( 226) = ( 0.4444444 0.3173352 0.6898661), wk = 0.0036101 k( 227) = ( 0.4583333 0.3272519 0.6776810), wk = 0.0036101 k( 228) = ( 0.4722222 0.3371686 0.6654960), wk = 0.0036101 k( 229) = ( 0.4861111 0.3470853 0.6533109), wk = 0.0036101 k( 230) = ( 0.5000000 0.3570021 0.6411258), wk = 0.0036101 k( 231) = ( 0.5000000 0.3570021 0.6411258), wk = 0.0036101 k( 232) = ( 0.5000000 0.3570021 0.6197550), wk = 0.0036101 k( 233) = ( 0.5000000 0.3570021 0.5983841), wk = 0.0036101 k( 234) = ( 0.5000000 0.3570021 0.5770132), wk = 0.0036101 k( 235) = ( 0.5000000 0.3570021 0.5556424), wk = 0.0036101 k( 236) = ( 0.5000000 0.3570021 0.5342715), wk = 0.0036101 k( 237) = ( 0.5000000 0.3570021 0.5129007), wk = 0.0036101 k( 238) = ( 0.5000000 0.3570021 0.4915298), wk = 0.0036101 k( 239) = ( 0.5000000 0.3570021 0.4701589), wk = 0.0036101 k( 240) = ( 0.5000000 0.3570021 0.4487881), wk = 0.0036101 k( 241) = ( 0.5000000 0.3570021 0.4274172), wk = 0.0036101 k( 242) = ( 0.5000000 0.3570021 0.4060464), wk = 0.0036101 k( 243) = ( 0.5000000 0.3570021 0.3846755), wk = 0.0036101 k( 244) = ( 0.5000000 0.3570021 0.3633046), wk = 0.0036101 k( 245) = ( 0.5000000 0.3570021 0.3419338), wk = 0.0036101 k( 246) = ( 0.5000000 0.3570021 0.3205629), wk = 0.0036101 k( 247) = ( 0.5000000 0.3570021 0.2991920), wk = 0.0036101 k( 248) = ( 0.5000000 0.3570021 0.2778212), wk = 0.0036101 k( 249) = ( 0.5000000 0.3570021 0.2564503), wk = 0.0036101 k( 250) = ( 0.5000000 0.3570021 0.2350795), wk = 0.0036101 k( 251) = ( 0.5000000 0.3570021 0.2137086), wk = 0.0036101 k( 252) = ( 0.5000000 0.3570021 0.1923378), wk = 0.0036101 k( 253) = ( 0.5000000 0.3570021 0.1709669), wk = 0.0036101 k( 254) = ( 0.5000000 0.3570021 0.1495960), wk = 0.0036101 k( 255) = ( 0.5000000 0.3570021 0.1282252), wk = 0.0036101 k( 256) = ( 0.5000000 0.3570021 0.1068543), wk = 0.0036101 k( 257) = ( 0.5000000 0.3570021 0.0854834), wk = 0.0036101 k( 258) = ( 0.5000000 0.3570021 0.0641126), wk = 0.0036101 k( 259) = ( 0.5000000 0.3570021 0.0427417), wk = 0.0036101 k( 260) = ( 0.5000000 0.3570021 0.0213709), wk = 0.0036101 k( 261) = ( 0.5000000 0.3570021 -0.0000000), wk = 0.0036101 k( 262) = ( 0.0000000 0.0000000 0.8604572), wk = 0.0036101 k( 263) = ( 0.0166667 0.0119001 0.8604572), wk = 0.0036101 k( 264) = ( 0.0333333 0.0238001 0.8604572), wk = 0.0036101 k( 265) = ( 0.0500000 0.0357002 0.8604572), wk = 0.0036101 k( 266) = ( 0.0666667 0.0476003 0.8604572), wk = 0.0036101 k( 267) = ( 0.0833333 0.0595003 0.8604572), wk = 0.0036101 k( 268) = ( 0.1000000 0.0714004 0.8604572), wk = 0.0036101 k( 269) = ( 0.1166667 0.0833005 0.8604572), wk = 0.0036101 k( 270) = ( 0.1333333 0.0952005 0.8604572), wk = 0.0036101 k( 271) = ( 0.1500000 0.1071006 0.8604572), wk = 0.0036101 k( 272) = ( 0.1666667 0.1190007 0.8604572), wk = 0.0036101 k( 273) = ( 0.1833333 0.1309008 0.8604572), wk = 0.0036101 k( 274) = ( 0.2000000 0.1428008 0.8604572), wk = 0.0036101 k( 275) = ( 0.2166667 0.1547009 0.8604572), wk = 0.0036101 k( 276) = ( 0.2333333 0.1666010 0.8604572), wk = 0.0036101 k( 277) = ( 0.2500000 0.1785010 0.8604572), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036101 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036101 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036101 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036101 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036101 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 43) = ( -0.0115864 0.0115864 0.5000000), wk = 0.0036101 k( 44) = ( -0.0231728 0.0231728 0.5000000), wk = 0.0036101 k( 45) = ( -0.0347592 0.0347592 0.5000000), wk = 0.0036101 k( 46) = ( -0.0463456 0.0463456 0.5000000), wk = 0.0036101 k( 47) = ( -0.0579320 0.0579320 0.5000000), wk = 0.0036101 k( 48) = ( -0.0695184 0.0695184 0.5000000), wk = 0.0036101 k( 49) = ( -0.0811049 0.0811049 0.5000000), wk = 0.0036101 k( 50) = ( -0.0926913 0.0926913 0.5000000), wk = 0.0036101 k( 51) = ( -0.1042777 0.1042777 0.5000000), wk = 0.0036101 k( 52) = ( -0.1158641 0.1158641 0.5000000), wk = 0.0036101 k( 53) = ( -0.1274505 0.1274505 0.5000000), wk = 0.0036101 k( 54) = ( -0.1274505 0.1274505 0.5000000), wk = 0.0036101 k( 55) = ( -0.1363207 0.1363207 0.4911298), wk = 0.0036101 k( 56) = ( -0.1451909 0.1451909 0.4822595), wk = 0.0036101 k( 57) = ( -0.1540612 0.1540612 0.4733893), wk = 0.0036101 k( 58) = ( -0.1629314 0.1629314 0.4645191), wk = 0.0036101 k( 59) = ( -0.1718016 0.1718016 0.4556489), wk = 0.0036101 k( 60) = ( -0.1806718 0.1806718 0.4467786), wk = 0.0036101 k( 61) = ( -0.1895421 0.1895421 0.4379084), wk = 0.0036101 k( 62) = ( -0.1984123 0.1984123 0.4290382), wk = 0.0036101 k( 63) = ( -0.2072825 0.2072825 0.4201680), wk = 0.0036101 k( 64) = ( -0.2161527 0.2161527 0.4112977), wk = 0.0036101 k( 65) = ( -0.2250230 0.2250230 0.4024275), wk = 0.0036101 k( 66) = ( -0.2338932 0.2338932 0.3935573), wk = 0.0036101 k( 67) = ( -0.2427634 0.2427634 0.3846870), wk = 0.0036101 k( 68) = ( -0.2516336 0.2516337 0.3758168), wk = 0.0036101 k( 69) = ( -0.2605039 0.2605039 0.3669466), wk = 0.0036101 k( 70) = ( -0.2693741 0.2693741 0.3580764), wk = 0.0036101 k( 71) = ( -0.2782443 0.2782443 0.3492061), wk = 0.0036101 k( 72) = ( -0.2871146 0.2871146 0.3403359), wk = 0.0036101 k( 73) = ( -0.2959848 0.2959848 0.3314657), wk = 0.0036101 k( 74) = ( -0.3048550 0.3048550 0.3225955), wk = 0.0036101 k( 75) = ( -0.3137252 0.3137252 0.3137252), wk = 0.0036101 k( 76) = ( -0.3137252 0.3137252 0.3137252), wk = 0.0036101 k( 77) = ( -0.3050106 0.3050106 0.3050107), wk = 0.0036101 k( 78) = ( -0.2962961 0.2962961 0.2962961), wk = 0.0036101 k( 79) = ( -0.2875815 0.2875815 0.2875815), wk = 0.0036101 k( 80) = ( -0.2788669 0.2788669 0.2788669), wk = 0.0036101 k( 81) = ( -0.2701523 0.2701523 0.2701523), wk = 0.0036101 k( 82) = ( -0.2614377 0.2614377 0.2614377), wk = 0.0036101 k( 83) = ( -0.2527231 0.2527231 0.2527231), wk = 0.0036101 k( 84) = ( -0.2440085 0.2440085 0.2440085), wk = 0.0036101 k( 85) = ( -0.2352939 0.2352939 0.2352939), wk = 0.0036101 k( 86) = ( -0.2265793 0.2265793 0.2265793), wk = 0.0036101 k( 87) = ( -0.2178647 0.2178647 0.2178647), wk = 0.0036101 k( 88) = ( -0.2091502 0.2091502 0.2091502), wk = 0.0036101 k( 89) = ( -0.2004356 0.2004356 0.2004356), wk = 0.0036101 k( 90) = ( -0.1917210 0.1917210 0.1917210), wk = 0.0036101 k( 91) = ( -0.1830064 0.1830064 0.1830064), wk = 0.0036101 k( 92) = ( -0.1742918 0.1742918 0.1742918), wk = 0.0036101 k( 93) = ( -0.1655772 0.1655772 0.1655772), wk = 0.0036101 k( 94) = ( -0.1568626 0.1568626 0.1568626), wk = 0.0036101 k( 95) = ( -0.1481480 0.1481480 0.1481480), wk = 0.0036101 k( 96) = ( -0.1394334 0.1394334 0.1394334), wk = 0.0036101 k( 97) = ( -0.1307188 0.1307189 0.1307188), wk = 0.0036101 k( 98) = ( -0.1220043 0.1220043 0.1220043), wk = 0.0036101 k( 99) = ( -0.1132897 0.1132897 0.1132897), wk = 0.0036101 k( 100) = ( -0.1045751 0.1045751 0.1045751), wk = 0.0036101 k( 101) = ( -0.0958605 0.0958605 0.0958605), wk = 0.0036101 k( 102) = ( -0.0871459 0.0871459 0.0871459), wk = 0.0036101 k( 103) = ( -0.0784313 0.0784313 0.0784313), wk = 0.0036101 k( 104) = ( -0.0697167 0.0697167 0.0697167), wk = 0.0036101 k( 105) = ( -0.0610021 0.0610021 0.0610021), wk = 0.0036101 k( 106) = ( -0.0522875 0.0522875 0.0522875), wk = 0.0036101 k( 107) = ( -0.0435729 0.0435729 0.0435729), wk = 0.0036101 k( 108) = ( -0.0348584 0.0348584 0.0348584), wk = 0.0036101 k( 109) = ( -0.0261438 0.0261438 0.0261438), wk = 0.0036101 k( 110) = ( -0.0174292 0.0174292 0.0174292), wk = 0.0036101 k( 111) = ( -0.0087146 0.0087146 0.0087146), wk = 0.0036101 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 114) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0036101 k( 115) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0036101 k( 116) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0036101 k( 117) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0036101 k( 118) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0036101 k( 119) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0036101 k( 120) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0036101 k( 121) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0036101 k( 122) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0036101 k( 123) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0036101 k( 124) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0036101 k( 125) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0036101 k( 126) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0036101 k( 127) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0036101 k( 128) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0036101 k( 129) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0036101 k( 130) = ( 0.2931034 0.2931034 -0.2931035), wk = 0.0036101 k( 131) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0036101 k( 132) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0036101 k( 133) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0036101 k( 134) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0036101 k( 135) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0036101 k( 136) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0036101 k( 137) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0036101 k( 138) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0036101 k( 139) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0036101 k( 140) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0036101 k( 141) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0036101 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 144) = ( 0.4911298 0.5088702 -0.4911298), wk = 0.0036101 k( 145) = ( 0.4822595 0.5177405 -0.4822596), wk = 0.0036101 k( 146) = ( 0.4733893 0.5266107 -0.4733893), wk = 0.0036101 k( 147) = ( 0.4645191 0.5354809 -0.4645191), wk = 0.0036101 k( 148) = ( 0.4556489 0.5443511 -0.4556489), wk = 0.0036101 k( 149) = ( 0.4467786 0.5532214 -0.4467786), wk = 0.0036101 k( 150) = ( 0.4379084 0.5620916 -0.4379084), wk = 0.0036101 k( 151) = ( 0.4290382 0.5709618 -0.4290382), wk = 0.0036101 k( 152) = ( 0.4201680 0.5798320 -0.4201680), wk = 0.0036101 k( 153) = ( 0.4112977 0.5887023 -0.4112977), wk = 0.0036101 k( 154) = ( 0.4024275 0.5975725 -0.4024275), wk = 0.0036101 k( 155) = ( 0.3935573 0.6064427 -0.3935573), wk = 0.0036101 k( 156) = ( 0.3846870 0.6153130 -0.3846871), wk = 0.0036101 k( 157) = ( 0.3758168 0.6241832 -0.3758168), wk = 0.0036101 k( 158) = ( 0.3669466 0.6330534 -0.3669466), wk = 0.0036101 k( 159) = ( 0.3580764 0.6419236 -0.3580764), wk = 0.0036101 k( 160) = ( 0.3492061 0.6507939 -0.3492062), wk = 0.0036101 k( 161) = ( 0.3403359 0.6596641 -0.3403359), wk = 0.0036101 k( 162) = ( 0.3314657 0.6685343 -0.3314657), wk = 0.0036101 k( 163) = ( 0.3225955 0.6774045 -0.3225955), wk = 0.0036101 k( 164) = ( 0.3137252 0.6862748 -0.3137252), wk = 0.0036101 k( 165) = ( 0.3137252 0.6862748 -0.3137252), wk = 0.0036101 k( 166) = ( 0.2941174 0.6746326 -0.2941174), wk = 0.0036101 k( 167) = ( 0.2745096 0.6629904 -0.2745096), wk = 0.0036101 k( 168) = ( 0.2549018 0.6513482 -0.2549018), wk = 0.0036101 k( 169) = ( 0.2352939 0.6397061 -0.2352939), wk = 0.0036101 k( 170) = ( 0.2156861 0.6280639 -0.2156861), wk = 0.0036101 k( 171) = ( 0.1960783 0.6164217 -0.1960783), wk = 0.0036101 k( 172) = ( 0.1764705 0.6047796 -0.1764705), wk = 0.0036101 k( 173) = ( 0.1568626 0.5931374 -0.1568626), wk = 0.0036101 k( 174) = ( 0.1372548 0.5814952 -0.1372548), wk = 0.0036101 k( 175) = ( 0.1176470 0.5698530 -0.1176470), wk = 0.0036101 k( 176) = ( 0.0980391 0.5582109 -0.0980391), wk = 0.0036101 k( 177) = ( 0.0784313 0.5465687 -0.0784313), wk = 0.0036101 k( 178) = ( 0.0588235 0.5349265 -0.0588235), wk = 0.0036101 k( 179) = ( 0.0392156 0.5232843 -0.0392157), wk = 0.0036101 k( 180) = ( 0.0196078 0.5116422 -0.0196078), wk = 0.0036101 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036101 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036101 k( 183) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0036101 k( 184) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0036101 k( 185) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0036101 k( 186) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0036101 k( 187) = ( 0.0431035 0.4568966 0.0431035), wk = 0.0036101 k( 188) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0036101 k( 189) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0036101 k( 190) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0036101 k( 191) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0036101 k( 192) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0036101 k( 193) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0036101 k( 194) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0036101 k( 195) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0036101 k( 196) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0036101 k( 197) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0036101 k( 198) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0036101 k( 199) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0036101 k( 200) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0036101 k( 201) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0036101 k( 202) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0036101 k( 203) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0036101 k( 204) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0036101 k( 205) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0036101 k( 206) = ( 0.2068966 0.2931035 0.2068965), wk = 0.0036101 k( 207) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0036101 k( 208) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0036101 k( 209) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0036101 k( 210) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0036101 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 213) = ( 0.2638889 0.2638889 0.2290305), wk = 0.0036101 k( 214) = ( 0.2777778 0.2777778 0.2080611), wk = 0.0036101 k( 215) = ( 0.2916667 0.2916667 0.1870916), wk = 0.0036101 k( 216) = ( 0.3055556 0.3055556 0.1661221), wk = 0.0036101 k( 217) = ( 0.3194444 0.3194444 0.1451526), wk = 0.0036101 k( 218) = ( 0.3333333 0.3333333 0.1241832), wk = 0.0036101 k( 219) = ( 0.3472222 0.3472222 0.1032137), wk = 0.0036101 k( 220) = ( 0.3611111 0.3611111 0.0822442), wk = 0.0036101 k( 221) = ( 0.3750000 0.3750000 0.0612748), wk = 0.0036101 k( 222) = ( 0.3888889 0.3888889 0.0403053), wk = 0.0036101 k( 223) = ( 0.4027778 0.4027778 0.0193358), wk = 0.0036101 k( 224) = ( 0.4166667 0.4166667 -0.0016337), wk = 0.0036101 k( 225) = ( 0.4305556 0.4305556 -0.0226031), wk = 0.0036101 k( 226) = ( 0.4444444 0.4444444 -0.0435726), wk = 0.0036101 k( 227) = ( 0.4583333 0.4583333 -0.0645421), wk = 0.0036101 k( 228) = ( 0.4722222 0.4722222 -0.0855115), wk = 0.0036101 k( 229) = ( 0.4861111 0.4861111 -0.1064810), wk = 0.0036101 k( 230) = ( 0.5000000 0.5000000 -0.1274505), wk = 0.0036101 k( 231) = ( 0.5000000 0.5000000 -0.1274505), wk = 0.0036101 k( 232) = ( 0.5000000 0.5000000 -0.1398688), wk = 0.0036101 k( 233) = ( 0.5000000 0.5000000 -0.1522871), wk = 0.0036101 k( 234) = ( 0.5000000 0.5000000 -0.1647054), wk = 0.0036101 k( 235) = ( 0.5000000 0.5000000 -0.1771237), wk = 0.0036101 k( 236) = ( 0.5000000 0.5000000 -0.1895421), wk = 0.0036101 k( 237) = ( 0.5000000 0.5000000 -0.2019604), wk = 0.0036101 k( 238) = ( 0.5000000 0.5000000 -0.2143787), wk = 0.0036101 k( 239) = ( 0.5000000 0.5000000 -0.2267970), wk = 0.0036101 k( 240) = ( 0.5000000 0.5000000 -0.2392153), wk = 0.0036101 k( 241) = ( 0.5000000 0.5000000 -0.2516336), wk = 0.0036101 k( 242) = ( 0.5000000 0.5000000 -0.2640520), wk = 0.0036101 k( 243) = ( 0.5000000 0.5000000 -0.2764703), wk = 0.0036101 k( 244) = ( 0.5000000 0.5000000 -0.2888886), wk = 0.0036101 k( 245) = ( 0.5000000 0.5000000 -0.3013069), wk = 0.0036101 k( 246) = ( 0.5000000 0.5000000 -0.3137252), wk = 0.0036101 k( 247) = ( 0.5000000 0.5000000 -0.3261436), wk = 0.0036101 k( 248) = ( 0.5000000 0.5000000 -0.3385619), wk = 0.0036101 k( 249) = ( 0.5000000 0.5000000 -0.3509802), wk = 0.0036101 k( 250) = ( 0.5000000 0.5000000 -0.3633985), wk = 0.0036101 k( 251) = ( 0.5000000 0.5000000 -0.3758168), wk = 0.0036101 k( 252) = ( 0.5000000 0.5000000 -0.3882351), wk = 0.0036101 k( 253) = ( 0.5000000 0.5000000 -0.4006535), wk = 0.0036101 k( 254) = ( 0.5000000 0.5000000 -0.4130718), wk = 0.0036101 k( 255) = ( 0.5000000 0.5000000 -0.4254901), wk = 0.0036101 k( 256) = ( 0.5000000 0.5000000 -0.4379084), wk = 0.0036101 k( 257) = ( 0.5000000 0.5000000 -0.4503267), wk = 0.0036101 k( 258) = ( 0.5000000 0.5000000 -0.4627450), wk = 0.0036101 k( 259) = ( 0.5000000 0.5000000 -0.4751634), wk = 0.0036101 k( 260) = ( 0.5000000 0.5000000 -0.4875817), wk = 0.0036101 k( 261) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 263) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036101 k( 264) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036101 k( 265) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036101 k( 266) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036101 k( 267) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036101 k( 268) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036101 k( 269) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036101 k( 270) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036101 k( 271) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036101 k( 272) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036101 k( 273) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036101 k( 274) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036101 k( 275) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036101 k( 276) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036101 k( 277) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 Dense grid: 72387 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 49265 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 358, 70) NL pseudopotentials 0.47 Mb ( 179, 172) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2011) G-vector shells 0.01 Mb ( 928) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.53 Mb ( 358, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.37 Mb ( 172, 2, 70) The potential is recalculated from file : ./FeCu2GeSe4.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.8 secs Computing kpt #: 7 total cpu time spent up to now is 10.9 secs Computing kpt #: 8 total cpu time spent up to now is 12.0 secs Computing kpt #: 9 total cpu time spent up to now is 13.1 secs Computing kpt #: 10 total cpu time spent up to now is 14.2 secs Computing kpt #: 11 total cpu time spent up to now is 15.2 secs Computing kpt #: 12 total cpu time spent up to now is 16.3 secs Computing kpt #: 13 total cpu time spent up to now is 17.4 secs Computing kpt #: 14 total cpu time spent up to now is 18.4 secs Computing kpt #: 15 total cpu time spent up to now is 19.8 secs Computing kpt #: 16 total cpu time spent up to now is 20.8 secs Computing kpt #: 17 total cpu time spent up to now is 21.9 secs Computing kpt #: 18 total cpu time spent up to now is 23.0 secs Computing kpt #: 19 total cpu time spent up to now is 24.1 secs Computing kpt #: 20 total cpu time spent up to now is 25.2 secs Computing kpt #: 21 total cpu time spent up to now is 26.2 secs Computing kpt #: 22 total cpu time spent up to now is 27.2 secs Computing kpt #: 23 total cpu time spent up to now is 28.3 secs Computing kpt #: 24 total cpu time spent up to now is 29.4 secs Computing kpt #: 25 total cpu time spent up to now is 30.4 secs Computing kpt #: 26 total cpu time spent up to now is 31.5 secs Computing kpt #: 27 total cpu time spent up to now is 32.5 secs Computing kpt #: 28 total cpu time spent up to now is 33.6 secs Computing kpt #: 29 total cpu time spent up to now is 34.6 secs Computing kpt #: 30 total cpu time spent up to now is 35.7 secs Computing kpt #: 31 total cpu time spent up to now is 36.8 secs Computing kpt #: 32 total cpu time spent up to now is 37.9 secs Computing kpt #: 33 total cpu time spent up to now is 39.1 secs Computing kpt #: 34 total cpu time spent up to now is 40.3 secs Computing kpt #: 35 total cpu time spent up to now is 41.5 secs Computing kpt #: 36 total cpu time spent up to now is 42.7 secs Computing kpt #: 37 total cpu time spent up to now is 43.9 secs Computing kpt #: 38 total cpu time spent up to now is 45.1 secs Computing kpt #: 39 total cpu time spent up to now is 46.2 secs Computing kpt #: 40 total cpu time spent up to now is 47.3 secs Computing kpt #: 41 total cpu time spent up to now is 48.5 secs Computing kpt #: 42 total cpu time spent up to now is 49.6 secs Computing kpt #: 43 total cpu time spent up to now is 50.8 secs Computing kpt #: 44 total cpu time spent up to now is 51.9 secs Computing kpt #: 45 total cpu time spent up to now is 53.1 secs Computing kpt #: 46 total cpu time spent up to now is 54.1 secs Computing kpt #: 47 total cpu time spent up to now is 55.2 secs Computing kpt #: 48 total cpu time spent up to now is 56.3 secs Computing kpt #: 49 total cpu time spent up to now is 57.4 secs Computing kpt #: 50 total cpu time spent up to now is 58.4 secs Computing kpt #: 51 total cpu time spent up to now is 59.4 secs Computing kpt #: 52 total cpu time spent up to now is 60.3 secs Computing kpt #: 53 total cpu time spent up to now is 61.4 secs Computing kpt #: 54 total cpu time spent up to now is 62.3 secs Computing kpt #: 55 total cpu time spent up to now is 63.4 secs Computing kpt #: 56 total cpu time spent up to now is 64.4 secs Computing kpt #: 57 total cpu time spent up to now is 65.4 secs Computing kpt #: 58 total cpu time spent up to now is 66.4 secs Computing kpt #: 59 total cpu time spent up to now is 67.4 secs Computing kpt #: 60 total cpu time spent up to now is 68.4 secs Computing kpt #: 61 total cpu time spent up to now is 69.4 secs Computing kpt #: 62 total cpu time spent up to now is 70.4 secs Computing kpt #: 63 total cpu time spent up to now is 71.4 secs Computing kpt #: 64 total cpu time spent up to now is 72.4 secs Computing kpt #: 65 total cpu time spent up to now is 73.4 secs Computing kpt #: 66 total cpu time spent up to now is 74.4 secs Computing kpt #: 67 total cpu time spent up to now is 75.4 secs Computing kpt #: 68 total cpu time spent up to now is 76.4 secs Computing kpt #: 69 total cpu time spent up to now is 77.4 secs Computing kpt #: 70 total cpu time spent up to now is 78.4 secs Computing kpt #: 71 total cpu time spent up to now is 79.5 secs Computing kpt #: 72 total cpu time spent up to now is 80.5 secs Computing kpt #: 73 total cpu time spent up to now is 81.5 secs Computing kpt #: 74 total cpu time spent up to now is 82.5 secs Computing kpt #: 75 total cpu time spent up to now is 83.6 secs Computing kpt #: 76 total cpu time spent up to now is 84.6 secs Computing kpt #: 77 total cpu time spent up to now is 85.6 secs Computing kpt #: 78 total cpu time spent up to now is 86.6 secs Computing kpt #: 79 total cpu time spent up to now is 87.6 secs Computing kpt #: 80 total cpu time spent up to now is 88.8 secs Computing kpt #: 81 total cpu time spent up to now is 89.8 secs Computing kpt #: 82 total cpu time spent up to now is 90.8 secs Computing kpt #: 83 total cpu time spent up to now is 92.0 secs Computing kpt #: 84 total cpu time spent up to now is 93.0 secs Computing kpt #: 85 total cpu time spent up to now is 94.0 secs Computing kpt #: 86 total cpu time spent up to now is 95.0 secs Computing kpt #: 87 total cpu time spent up to now is 96.1 secs Computing kpt #: 88 total cpu time spent up to now is 97.2 secs Computing kpt #: 89 total cpu time spent up to now is 98.2 secs Computing kpt #: 90 total cpu time spent up to now is 99.2 secs Computing kpt #: 91 total cpu time spent up to now is 100.2 secs Computing kpt #: 92 total cpu time spent up to now is 101.2 secs Computing kpt #: 93 total cpu time spent up to now is 102.2 secs Computing kpt #: 94 total cpu time spent up to now is 103.2 secs Computing kpt #: 95 total cpu time spent up to now is 104.3 secs Computing kpt #: 96 total cpu time spent up to now is 105.4 secs Computing kpt #: 97 total cpu time spent up to now is 106.4 secs Computing kpt #: 98 total cpu time spent up to now is 107.4 secs Computing kpt #: 99 total cpu time spent up to now is 108.4 secs Computing kpt #: 100 total cpu time spent up to now is 109.6 secs Computing kpt #: 101 total cpu time spent up to now is 110.7 secs Computing kpt #: 102 total cpu time spent up to now is 111.8 secs Computing kpt #: 103 total cpu time spent up to now is 112.9 secs Computing kpt #: 104 total cpu time spent up to now is 114.0 secs Computing kpt #: 105 total cpu time spent up to now is 115.1 secs Computing kpt #: 106 total cpu time spent up to now is 116.2 secs Computing kpt #: 107 total cpu time spent up to now is 117.3 secs Computing kpt #: 108 total cpu time spent up to now is 118.4 secs Computing kpt #: 109 total cpu time spent up to now is 119.5 secs Computing kpt #: 110 total cpu time spent up to now is 120.6 secs Computing kpt #: 111 total cpu time spent up to now is 121.6 secs Computing kpt #: 112 total cpu time spent up to now is 122.7 secs Computing kpt #: 113 total cpu time spent up to now is 123.8 secs Computing kpt #: 114 total cpu time spent up to now is 124.8 secs Computing kpt #: 115 total cpu time spent up to now is 125.9 secs Computing kpt #: 116 total cpu time spent up to now is 127.0 secs Computing kpt #: 117 total cpu time spent up to now is 128.1 secs Computing kpt #: 118 total cpu time spent up to now is 129.2 secs Computing kpt #: 119 total cpu time spent up to now is 130.2 secs Computing kpt #: 120 total cpu time spent up to now is 131.3 secs Computing kpt #: 121 total cpu time spent up to now is 132.4 secs Computing kpt #: 122 total cpu time spent up to now is 133.5 secs Computing kpt #: 123 total cpu time spent up to now is 134.6 secs Computing kpt #: 124 total cpu time spent up to now is 135.8 secs Computing kpt #: 125 total cpu time spent up to now is 136.9 secs Computing kpt #: 126 total cpu time spent up to now is 138.0 secs Computing kpt #: 127 total cpu time spent up to now is 139.1 secs Computing kpt #: 128 total cpu time spent up to now is 140.3 secs Computing kpt #: 129 total cpu time spent up to now is 141.5 secs Computing kpt #: 130 total cpu time spent up to now is 142.5 secs Computing kpt #: 131 total cpu time spent up to now is 143.6 secs Computing kpt #: 132 total cpu time spent up to now is 144.6 secs Computing kpt #: 133 total cpu time spent up to now is 145.7 secs Computing kpt #: 134 total cpu time spent up to now is 146.7 secs Computing kpt #: 135 total cpu time spent up to now is 147.7 secs Computing kpt #: 136 total cpu time spent up to now is 148.7 secs Computing kpt #: 137 total cpu time spent up to now is 149.7 secs Computing kpt #: 138 total cpu time spent up to now is 150.7 secs Computing kpt #: 139 total cpu time spent up to now is 151.7 secs Computing kpt #: 140 total cpu time spent up to now is 152.7 secs Computing kpt #: 141 total cpu time spent up to now is 153.7 secs Computing kpt #: 142 total cpu time spent up to now is 154.7 secs Computing kpt #: 143 total cpu time spent up to now is 155.7 secs Computing kpt #: 144 total cpu time spent up to now is 156.7 secs Computing kpt #: 145 total cpu time spent up to now is 157.6 secs Computing kpt #: 146 total cpu time spent up to now is 158.6 secs Computing kpt #: 147 total cpu time spent up to now is 159.6 secs Computing kpt #: 148 total cpu time spent up to now is 160.6 secs Computing kpt #: 149 total cpu time spent up to now is 161.6 secs Computing kpt #: 150 total cpu time spent up to now is 162.5 secs Computing kpt #: 151 total cpu time spent up to now is 163.6 secs Computing kpt #: 152 total cpu time spent up to now is 164.6 secs Computing kpt #: 153 total cpu time spent up to now is 165.5 secs Computing kpt #: 154 total cpu time spent up to now is 166.6 secs Computing kpt #: 155 total cpu time spent up to now is 167.8 secs Computing kpt #: 156 total cpu time spent up to now is 169.1 secs Computing kpt #: 157 total cpu time spent up to now is 170.1 secs Computing kpt #: 158 total cpu time spent up to now is 171.1 secs Computing kpt #: 159 total cpu time spent up to now is 172.1 secs Computing kpt #: 160 total cpu time spent up to now is 173.2 secs Computing kpt #: 161 total cpu time spent up to now is 174.2 secs Computing kpt #: 162 total cpu time spent up to now is 175.2 secs Computing kpt #: 163 total cpu time spent up to now is 176.2 secs Computing kpt #: 164 total cpu time spent up to now is 177.2 secs Computing kpt #: 165 total cpu time spent up to now is 178.2 secs Computing kpt #: 166 total cpu time spent up to now is 179.3 secs Computing kpt #: 167 total cpu time spent up to now is 180.3 secs Computing kpt #: 168 total cpu time spent up to now is 181.3 secs Computing kpt #: 169 total cpu time spent up to now is 182.3 secs Computing kpt #: 170 total cpu time spent up to now is 183.4 secs Computing kpt #: 171 total cpu time spent up to now is 184.4 secs Computing kpt #: 172 total cpu time spent up to now is 185.5 secs Computing kpt #: 173 total cpu time spent up to now is 186.5 secs Computing kpt #: 174 total cpu time spent up to now is 187.6 secs Computing kpt #: 175 total cpu time spent up to now is 188.7 secs Computing kpt #: 176 total cpu time spent up to now is 189.7 secs Computing kpt #: 177 total cpu time spent up to now is 190.8 secs Computing kpt #: 178 total cpu time spent up to now is 191.8 secs Computing kpt #: 179 total cpu time spent up to now is 192.9 secs Computing kpt #: 180 total cpu time spent up to now is 194.0 secs Computing kpt #: 181 total cpu time spent up to now is 195.0 secs Computing kpt #: 182 total cpu time spent up to now is 196.1 secs Computing kpt #: 183 total cpu time spent up to now is 197.1 secs Computing kpt #: 184 total cpu time spent up to now is 198.1 secs Computing kpt #: 185 total cpu time spent up to now is 199.1 secs Computing kpt #: 186 total cpu time spent up to now is 200.2 secs Computing kpt #: 187 total cpu time spent up to now is 201.2 secs Computing kpt #: 188 total cpu time spent up to now is 202.2 secs Computing kpt #: 189 total cpu time spent up to now is 203.3 secs Computing kpt #: 190 total cpu time spent up to now is 204.3 secs Computing kpt #: 191 total cpu time spent up to now is 205.3 secs Computing kpt #: 192 total cpu time spent up to now is 206.4 secs Computing kpt #: 193 total cpu time spent up to now is 207.4 secs Computing kpt #: 194 total cpu time spent up to now is 208.4 secs Computing kpt #: 195 total cpu time spent up to now is 209.4 secs Computing kpt #: 196 total cpu time spent up to now is 210.4 secs Computing kpt #: 197 total cpu time spent up to now is 211.4 secs Computing kpt #: 198 total cpu time spent up to now is 212.4 secs Computing kpt #: 199 total cpu time spent up to now is 213.3 secs Computing kpt #: 200 total cpu time spent up to now is 214.4 secs Computing kpt #: 201 total cpu time spent up to now is 215.4 secs Computing kpt #: 202 total cpu time spent up to now is 216.4 secs Computing kpt #: 203 total cpu time spent up to now is 217.4 secs Computing kpt #: 204 total cpu time spent up to now is 218.4 secs Computing kpt #: 205 total cpu time spent up to now is 219.4 secs Computing kpt #: 206 total cpu time spent up to now is 220.4 secs Computing kpt #: 207 total cpu time spent up to now is 221.3 secs Computing kpt #: 208 total cpu time spent up to now is 222.4 secs Computing kpt #: 209 total cpu time spent up to now is 223.4 secs Computing kpt #: 210 total cpu time spent up to now is 224.4 secs Computing kpt #: 211 total cpu time spent up to now is 225.3 secs Computing kpt #: 212 total cpu time spent up to now is 226.3 secs Computing kpt #: 213 total cpu time spent up to now is 227.2 secs Computing kpt #: 214 total cpu time spent up to now is 228.2 secs Computing kpt #: 215 total cpu time spent up to now is 229.2 secs Computing kpt #: 216 total cpu time spent up to now is 230.2 secs Computing kpt #: 217 total cpu time spent up to now is 231.2 secs Computing kpt #: 218 total cpu time spent up to now is 232.2 secs Computing kpt #: 219 total cpu time spent up to now is 233.2 secs Computing kpt #: 220 total cpu time spent up to now is 234.2 secs Computing kpt #: 221 total cpu time spent up to now is 235.3 secs Computing kpt #: 222 total cpu time spent up to now is 236.3 secs Computing kpt #: 223 total cpu time spent up to now is 237.3 secs Computing kpt #: 224 total cpu time spent up to now is 238.4 secs Computing kpt #: 225 total cpu time spent up to now is 239.4 secs Computing kpt #: 226 total cpu time spent up to now is 240.4 secs Computing kpt #: 227 total cpu time spent up to now is 241.5 secs Computing kpt #: 228 total cpu time spent up to now is 242.4 secs Computing kpt #: 229 total cpu time spent up to now is 243.4 secs Computing kpt #: 230 total cpu time spent up to now is 244.4 secs Computing kpt #: 231 total cpu time spent up to now is 245.4 secs Computing kpt #: 232 total cpu time spent up to now is 246.4 secs Computing kpt #: 233 total cpu time spent up to now is 247.4 secs Computing kpt #: 234 total cpu time spent up to now is 248.4 secs Computing kpt #: 235 total cpu time spent up to now is 249.5 secs Computing kpt #: 236 total cpu time spent up to now is 250.5 secs Computing kpt #: 237 total cpu time spent up to now is 251.5 secs Computing kpt #: 238 total cpu time spent up to now is 252.5 secs Computing kpt #: 239 total cpu time spent up to now is 253.5 secs Computing kpt #: 240 total cpu time spent up to now is 254.5 secs Computing kpt #: 241 total cpu time spent up to now is 255.5 secs Computing kpt #: 242 total cpu time spent up to now is 256.5 secs Computing kpt #: 243 total cpu time spent up to now is 257.5 secs Computing kpt #: 244 total cpu time spent up to now is 258.6 secs Computing kpt #: 245 total cpu time spent up to now is 259.6 secs Computing kpt #: 246 total cpu time spent up to now is 260.6 secs Computing kpt #: 247 total cpu time spent up to now is 261.7 secs Computing kpt #: 248 total cpu time spent up to now is 262.7 secs Computing kpt #: 249 total cpu time spent up to now is 263.7 secs Computing kpt #: 250 total cpu time spent up to now is 264.6 secs Computing kpt #: 251 total cpu time spent up to now is 265.7 secs Computing kpt #: 252 total cpu time spent up to now is 266.7 secs Computing kpt #: 253 total cpu time spent up to now is 267.7 secs Computing kpt #: 254 total cpu time spent up to now is 268.7 secs Computing kpt #: 255 total cpu time spent up to now is 269.6 secs Computing kpt #: 256 total cpu time spent up to now is 270.6 secs Computing kpt #: 257 total cpu time spent up to now is 271.5 secs Computing kpt #: 258 total cpu time spent up to now is 272.5 secs Computing kpt #: 259 total cpu time spent up to now is 273.5 secs Computing kpt #: 260 total cpu time spent up to now is 274.5 secs Computing kpt #: 261 total cpu time spent up to now is 275.6 secs Computing kpt #: 262 total cpu time spent up to now is 276.8 secs Computing kpt #: 263 total cpu time spent up to now is 277.9 secs Computing kpt #: 264 total cpu time spent up to now is 279.0 secs Computing kpt #: 265 total cpu time spent up to now is 280.2 secs Computing kpt #: 266 total cpu time spent up to now is 281.3 secs Computing kpt #: 267 total cpu time spent up to now is 282.4 secs Computing kpt #: 268 total cpu time spent up to now is 283.4 secs Computing kpt #: 269 total cpu time spent up to now is 284.5 secs Computing kpt #: 270 total cpu time spent up to now is 285.5 secs Computing kpt #: 271 total cpu time spent up to now is 286.5 secs Computing kpt #: 272 total cpu time spent up to now is 287.5 secs Computing kpt #: 273 total cpu time spent up to now is 288.4 secs Computing kpt #: 274 total cpu time spent up to now is 289.4 secs Computing kpt #: 275 total cpu time spent up to now is 290.4 secs Computing kpt #: 276 total cpu time spent up to now is 291.4 secs Computing kpt #: 277 total cpu time spent up to now is 292.4 secs ethr = 1.72E-08, avg # of iterations = 17.7 total cpu time spent up to now is 292.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6163 PWs) bands (ev): -8.3111 -8.3111 -6.8113 -6.8113 -6.8066 -6.8066 -6.8021 -6.8021 -2.3698 -2.3698 1.2604 1.2604 1.4295 1.4295 1.6189 1.6189 1.8843 1.8843 1.9090 1.9090 2.1405 2.1405 2.8102 2.8102 2.8457 2.8457 2.8981 2.8981 3.2294 3.2294 3.2850 3.2850 4.1306 4.1306 4.1712 4.1712 4.1940 4.1940 4.2267 4.2267 4.3850 4.3850 4.3892 4.3892 4.4589 4.4589 5.1650 5.1650 5.5871 5.5871 5.6348 5.6348 5.6542 5.6542 6.3457 6.3457 7.1718 7.1718 7.2034 7.2034 7.3022 7.3022 7.3683 7.3683 8.6081 8.6081 9.6594 9.6594 10.1946 10.1946 k = 0.0000 0.0000 0.0215 ( 6147 PWs) bands (ev): -8.3104 -8.3104 -6.8122 -6.8112 -6.8073 -6.8062 -6.8027 -6.8025 -2.3691 -2.3691 1.2585 1.2620 1.4248 1.4323 1.6068 1.6221 1.8719 1.8898 1.9142 1.9185 2.1349 2.1527 2.8089 2.8103 2.8442 2.8463 2.8980 2.8981 3.2258 3.2300 3.2828 3.2841 4.1177 4.1422 4.1709 4.1720 4.1823 4.2068 4.2255 4.2306 4.3702 4.3850 4.3900 4.4061 4.4597 4.4609 5.1644 5.1652 5.5850 5.5876 5.6319 5.6348 5.6531 5.6561 6.3456 6.3470 7.1205 7.1387 7.2199 7.2300 7.3077 7.3322 7.3682 7.3697 8.6118 8.6145 9.6601 9.6637 10.1937 10.1944 k = 0.0000 0.0000 0.0430 ( 6139 PWs) bands (ev): -8.3083 -8.3083 -6.8140 -6.8123 -6.8084 -6.8065 -6.8041 -6.8037 -2.3671 -2.3670 1.2562 1.2631 1.4189 1.4328 1.5885 1.6146 1.8632 1.8905 1.9261 1.9374 2.1370 2.1701 2.8061 2.8088 2.8418 2.8461 2.8978 2.8981 3.2185 3.2277 3.2773 3.2806 4.1050 4.1511 4.1682 4.1731 4.1743 4.2206 4.2259 4.2376 4.3567 4.3836 4.3933 4.4267 4.4630 4.4664 5.1631 5.1648 5.5805 5.5863 5.6263 5.6318 5.6525 5.6591 6.3465 6.3493 7.0556 7.0799 7.2273 7.2413 7.3385 7.3474 7.3819 7.4008 8.6253 8.6307 9.6657 9.6731 10.1917 10.1934 k = 0.0000 0.0000 0.0645 ( 6141 PWs) bands (ev): -8.3048 -8.3048 -6.8170 -6.8148 -6.8099 -6.8082 -6.8059 -6.8046 -2.3638 -2.3636 1.2532 1.2631 1.4130 1.4307 1.5666 1.5961 1.8622 1.8927 1.9412 1.9568 2.1471 2.1917 2.8016 2.8051 2.8390 2.8455 2.8975 2.8981 3.2071 3.2227 3.2688 3.2756 4.0932 4.1565 4.1597 4.1736 4.1746 4.2272 4.2350 4.2475 4.3462 4.3846 4.3963 4.4471 4.4686 4.4771 5.1610 5.1637 5.5724 5.5826 5.6192 5.6262 5.6530 5.6635 6.3484 6.3526 6.9899 7.0179 7.2274 7.2415 7.3376 7.3410 7.4318 7.4617 8.6485 8.6563 9.6761 9.6873 10.1889 10.1915 k = 0.0000 0.0000 0.0860 ( 6145 PWs) bands (ev): -8.2999 -8.2999 -6.8213 -6.8188 -6.8128 -6.8113 -6.8070 -6.8049 -2.3592 -2.3590 1.2489 1.2613 1.4085 1.4250 1.5443 1.5685 1.8688 1.8969 1.9582 1.9750 2.1647 2.2164 2.7946 2.7987 2.8362 2.8451 2.8972 2.8983 3.1914 3.2145 3.2584 3.2697 4.0828 4.1514 4.1594 4.1746 4.1763 4.2290 4.2488 4.2589 4.3392 4.3890 4.3992 4.4636 4.4765 4.4963 5.1578 5.1618 5.5597 5.5751 5.6119 5.6197 5.6548 5.6695 6.3514 6.3568 6.9253 6.9563 7.2237 7.2383 7.3223 7.3295 7.4937 7.5262 8.6808 8.6909 9.6908 9.7060 10.1854 10.1891 k = 0.0000 0.0000 0.1076 ( 6153 PWs) bands (ev): -8.2937 -8.2936 -6.8270 -6.8244 -6.8168 -6.8154 -6.8076 -6.8050 -2.3534 -2.3532 1.2430 1.2567 1.4066 1.4135 1.5260 1.5344 1.8816 1.9023 1.9759 1.9923 2.1882 2.2433 2.7847 2.7889 2.8338 2.8452 2.8969 2.8986 3.1718 3.2027 3.2474 3.2635 4.0741 4.1446 4.1605 4.1760 4.1783 4.2311 4.2612 4.2694 4.3363 4.3985 4.4021 4.4760 4.4868 4.5235 5.1533 5.1588 5.5424 5.5626 5.6051 5.6139 5.6582 5.6773 6.3554 6.3619 6.8627 6.8965 7.2164 7.2326 7.3041 7.3131 7.5560 7.5902 8.7216 8.7337 9.7093 9.7287 10.1813 10.1866 k = 0.0000 0.0000 0.1291 ( 6150 PWs) bands (ev): -8.2861 -8.2860 -6.8342 -6.8315 -6.8216 -6.8202 -6.8080 -6.8050 -2.3466 -2.3462 1.2351 1.2490 1.3935 1.4073 1.4971 1.5159 1.8989 1.9080 1.9933 2.0099 2.2158 2.2716 2.7716 2.7756 2.8321 2.8462 2.8967 2.8991 3.1493 3.1870 3.2370 3.2570 4.0669 4.1396 4.1609 4.1777 4.1808 4.2332 4.2700 4.2784 4.3375 4.4053 4.4137 4.4871 4.5003 4.5558 5.1471 5.1544 5.5213 5.5453 5.5988 5.6090 5.6631 5.6867 6.3605 6.3679 6.8026 6.8394 7.2047 7.2235 7.2850 7.2942 7.6162 7.6521 8.7702 8.7840 9.7310 9.7547 10.1766 10.1840 k = 0.0000 0.0000 0.1506 ( 6158 PWs) bands (ev): -8.2771 -8.2771 -6.8427 -6.8400 -6.8271 -6.8257 -6.8084 -6.8051 -2.3388 -2.3383 1.2253 1.2385 1.3650 1.4067 1.4622 1.5151 1.9131 1.9197 2.0098 2.0288 2.2458 2.3008 2.7554 2.7589 2.8309 2.8478 2.8966 2.8996 3.1253 3.1684 3.2273 3.2501 4.0610 4.1366 4.1609 4.1798 4.1839 4.2354 4.2726 4.2889 4.3413 4.4090 4.4330 4.4979 4.5182 4.5914 5.1387 5.1484 5.4979 5.5246 5.5926 5.6046 5.6697 5.6976 6.3665 6.3747 6.7454 6.7852 7.1866 7.2091 7.2674 7.2756 7.6731 7.7109 8.8256 8.8408 9.7549 9.7829 10.1713 10.1814 k = 0.0000 0.0000 0.1721 ( 6146 PWs) bands (ev): -8.2669 -8.2669 -6.8524 -6.8496 -6.8332 -6.8317 -6.8088 -6.8053 -2.3301 -2.3295 1.2139 1.2259 1.3303 1.3884 1.4465 1.5218 1.9169 1.9428 2.0251 2.0496 2.2770 2.3303 2.7361 2.7389 2.8302 2.8500 2.8966 2.9000 3.1010 3.1482 3.2182 3.2430 4.0565 4.1357 4.1610 4.1822 4.1877 4.2375 4.2718 4.3000 4.3471 4.4134 4.4537 4.5087 4.5421 4.6300 5.1277 5.1404 5.4733 5.5019 5.5862 5.6002 5.6781 5.7101 6.3736 6.3823 6.6914 6.7342 7.1613 7.1869 7.2527 7.2601 7.7261 7.7661 8.8869 8.9032 9.7801 9.8121 10.1647 10.1784 k = 0.0000 0.0000 0.1936 ( 6146 PWs) bands (ev): -8.2554 -8.2554 -6.8633 -6.8604 -6.8399 -6.8384 -6.8094 -6.8056 -2.3208 -2.3200 1.2013 1.2121 1.2920 1.3502 1.4522 1.5336 1.9191 1.9671 2.0393 2.0726 2.3084 2.3598 2.7141 2.7158 2.8297 2.8527 2.8967 2.9001 3.0779 3.1277 3.2093 3.2356 4.0531 4.1367 4.1612 4.1847 4.1920 4.2396 4.2694 4.3105 4.3545 4.4186 4.4726 4.5194 4.5732 4.6709 5.1137 5.1301 5.4488 5.4783 5.5795 5.5953 5.6880 5.7238 6.3816 6.3904 6.6407 6.6865 7.1294 7.1571 7.2409 7.2481 7.7748 7.8170 8.9528 8.9700 9.8053 9.8411 10.1561 10.1742 k = 0.0000 0.0000 0.2151 ( 6150 PWs) bands (ev): -8.2426 -8.2426 -6.8750 -6.8721 -6.8471 -6.8456 -6.8101 -6.8060 -2.3109 -2.3099 1.1881 1.1979 1.2515 1.3065 1.4643 1.5485 1.9194 1.9906 2.0540 2.0979 2.3396 2.3888 2.6895 2.6897 2.8294 2.8556 2.8968 2.8997 3.0574 3.1081 3.2006 3.2279 4.0506 4.1395 4.1618 4.1874 4.1970 4.2417 4.2664 4.3198 4.3643 4.4250 4.4892 4.5299 4.6110 4.7139 5.0964 5.1172 5.4250 5.4548 5.5725 5.5899 5.6995 5.7387 6.3904 6.3990 6.5936 6.6421 7.0927 7.1214 7.2307 7.2384 7.8189 7.8634 9.0225 9.0404 9.8296 9.8687 10.1452 10.1678 k = 0.0000 0.0000 0.2366 ( 6148 PWs) bands (ev): -8.2287 -8.2287 -6.8877 -6.8847 -6.8550 -6.8534 -6.8110 -6.8067 -2.3005 -2.2994 1.1745 1.1838 1.2102 1.2616 1.4780 1.5648 1.9184 2.0100 2.0722 2.1253 2.3701 2.4172 2.6612 2.6627 2.8292 2.8589 2.8970 2.8985 3.0403 3.0904 3.1919 3.2200 4.0489 4.1438 4.1628 4.1901 4.2026 4.2438 4.2633 4.3275 4.3770 4.4326 4.5039 4.5404 4.6540 4.7589 5.0759 5.1018 5.4025 5.4319 5.5651 5.5840 5.7123 5.7547 6.4000 6.4075 6.5503 6.6010 7.0526 7.0817 7.2215 7.2298 7.8584 7.9052 9.0947 9.1132 9.8522 9.8939 10.1319 10.1588 k = 0.0000 0.0000 0.2581 ( 6148 PWs) bands (ev): -8.2137 -8.2136 -6.9010 -6.8979 -6.8633 -6.8616 -6.8122 -6.8076 -2.2900 -2.2886 1.1582 1.1694 1.1715 1.2177 1.4910 1.5807 1.9168 2.0229 2.0966 2.1548 2.3994 2.4444 2.6307 2.6342 2.8289 2.8622 2.8967 2.8972 3.0275 3.0751 3.1833 3.2119 4.0480 4.1494 4.1641 4.1927 4.2087 4.2460 4.2600 4.3336 4.3926 4.4417 4.5174 4.5508 4.7010 4.8057 5.0525 5.0841 5.3811 5.4098 5.5574 5.5776 5.7265 5.7716 6.4102 6.4150 6.5119 6.5633 7.0106 7.0395 7.2125 7.2215 7.8933 7.9422 9.1684 9.1874 9.8727 9.9165 10.1163 10.1468 k = 0.0000 0.0000 0.2796 ( 6140 PWs) bands (ev): -8.1975 -8.1975 -6.9149 -6.9118 -6.8720 -6.8703 -6.8136 -6.8088 -2.2793 -2.2776 1.1222 1.1499 1.1530 1.1804 1.5019 1.5940 1.9160 2.0306 2.1266 2.1860 2.4271 2.4697 2.5993 2.6051 2.8285 2.8654 2.8944 2.8974 3.0190 3.0626 3.1748 3.2038 4.0478 4.1557 4.1659 4.1953 4.2153 4.2485 4.2568 4.3384 4.4108 4.4526 4.5303 4.5611 4.7508 4.8539 5.0269 5.0644 5.3607 5.3884 5.5495 5.5708 5.7420 5.7893 6.4183 6.4210 6.4814 6.5288 6.9677 6.9958 7.2036 7.2133 7.9236 7.9746 9.2427 9.2623 9.8908 9.9367 10.0985 10.1322 k = 0.0000 0.0000 0.3012 ( 6146 PWs) bands (ev): -8.1804 -8.1803 -6.9293 -6.9261 -6.8811 -6.8793 -6.8154 -6.8104 -2.2686 -2.2667 1.0803 1.1148 1.1418 1.1609 1.5090 1.6026 1.9178 2.0358 2.1601 2.2187 2.4519 2.4909 2.5700 2.5770 2.8278 2.8684 2.8919 2.8976 3.0144 3.0530 3.1664 3.1957 4.0482 4.1622 4.1679 4.1977 4.2224 4.2513 4.2536 4.3420 4.4311 4.4655 4.5434 4.5716 4.8027 4.9031 4.9995 5.0434 5.3406 5.3672 5.5414 5.5636 5.7586 5.8076 6.4087 6.4320 6.4674 6.4978 6.9247 6.9516 7.1946 7.2049 7.9496 8.0024 9.3164 9.3368 9.9069 9.9548 10.0786 10.1150 k = 0.0000 0.0000 0.3227 ( 6140 PWs) bands (ev): -8.1622 -8.1621 -6.9440 -6.9408 -6.8905 -6.8887 -6.8176 -6.8123 -2.2582 -2.2560 1.0384 1.0725 1.1323 1.1513 1.5110 1.6045 1.9235 2.0409 2.1958 2.2527 2.4704 2.4975 2.5540 2.5543 2.8269 2.8707 2.8899 2.8978 3.0134 3.0462 3.1582 3.1876 4.0492 4.1682 4.1703 4.2003 4.2298 4.2506 4.2546 4.3447 4.4531 4.4806 4.5571 4.5825 4.8560 4.9532 4.9714 5.0217 5.3202 5.3457 5.5332 5.5561 5.7761 5.8265 6.3865 6.4418 6.4697 6.4715 6.8827 6.9079 7.1855 7.1963 7.9714 8.0257 9.3888 9.4102 9.9214 9.9718 10.0567 10.0956 k = 0.0000 0.0000 0.3442 ( 6146 PWs) bands (ev): -8.1432 -8.1431 -6.9589 -6.9556 -6.9001 -6.8983 -6.8202 -6.8148 -2.2480 -2.2456 0.9969 1.0294 1.1243 1.1453 1.5070 1.5990 1.9335 2.0470 2.2326 2.2877 2.4737 2.4788 2.5470 2.5633 2.8254 2.8718 2.8889 2.8980 3.0151 3.0419 3.1501 3.1796 4.0507 4.1726 4.1729 4.2034 4.2371 4.2481 4.2584 4.3464 4.4758 4.4978 4.5723 4.5940 4.9104 4.9431 4.9959 5.0077 5.2987 5.3233 5.5249 5.5484 5.7946 5.8456 6.3615 6.4372 6.4629 6.4783 6.8424 6.8655 7.1763 7.1876 7.9891 8.0448 9.4588 9.4815 9.9346 9.9882 10.0327 10.0741 k = 0.0000 0.0000 0.3657 ( 6142 PWs) bands (ev): -8.1234 -8.1233 -6.9738 -6.9705 -6.9100 -6.9081 -6.8232 -6.8177 -2.2383 -2.2356 0.9561 0.9867 1.1176 1.1419 1.4966 1.5865 1.9467 2.0543 2.2695 2.3232 2.4521 2.4602 2.5584 2.5824 2.8235 2.8717 2.8891 2.8983 3.0189 3.0398 3.1424 3.1718 4.0528 4.1748 4.1758 4.2075 4.2409 4.2495 4.2630 4.3471 4.4982 4.5169 4.5902 4.6069 4.9154 4.9652 4.9771 5.0559 5.2755 5.2995 5.5168 5.5406 5.8137 5.8648 6.3380 6.4176 6.4726 6.4890 6.8048 6.8253 7.1669 7.1788 8.0029 8.0598 9.5255 9.5498 9.9468 10.0025 10.0092 10.0512 k = 0.0000 0.0000 0.3872 ( 6146 PWs) bands (ev): -8.1029 -8.1027 -6.9887 -6.9854 -6.9199 -6.9181 -6.8268 -6.8211 -2.2291 -2.2261 0.9163 0.9450 1.1119 1.1406 1.4804 1.5685 1.9605 2.0611 2.3055 2.3589 2.4287 2.4432 2.5773 2.6030 2.8210 2.8705 2.8903 2.8986 3.0244 3.0396 3.1349 3.1642 4.0553 4.1745 4.1787 4.2124 4.2390 4.2568 4.2684 4.3469 4.5188 4.5370 4.6122 4.6219 4.8886 4.9561 5.0202 5.1068 5.2502 5.2738 5.5089 5.5329 5.8334 5.8838 6.3173 6.3988 6.4847 6.5006 6.7703 6.7880 7.1576 7.1698 8.0129 8.0706 9.5876 9.6135 9.9571 9.9775 10.0244 10.0288 k = 0.0000 0.0000 0.4087 ( 6150 PWs) bands (ev): -8.0817 -8.0815 -7.0034 -7.0001 -6.9300 -6.9281 -6.8310 -6.8251 -2.2204 -2.2172 0.8776 0.9043 1.1068 1.1409 1.4595 1.5471 1.9715 2.0649 2.3377 2.3938 2.4155 2.4315 2.5980 2.6234 2.8177 2.8685 2.8920 2.8990 3.0311 3.0408 3.1277 3.1569 4.0582 4.1722 4.1817 4.2177 4.2361 4.2655 4.2745 4.3457 4.5369 4.5568 4.6391 4.6406 4.8630 4.9358 5.0747 5.1572 5.2226 5.2459 5.5016 5.5253 5.8534 5.9024 6.3001 6.3827 6.4971 6.5124 6.7396 6.7544 7.1482 7.1608 8.0190 8.0776 9.6435 9.6707 9.9467 9.9589 10.0153 10.0456 k = 0.0000 0.0000 0.4302 ( 6150 PWs) bands (ev): -8.0601 -8.0598 -7.0178 -7.0144 -6.9400 -6.9382 -6.8358 -6.8298 -2.2125 -2.2090 0.8400 0.8650 1.1017 1.1421 1.4357 1.5245 1.9764 2.0622 2.3607 2.4200 2.4213 2.4371 2.6188 2.6432 2.8135 2.8659 2.8937 2.8995 3.0387 3.0432 3.1209 3.1499 4.0615 4.1684 4.1847 4.2229 4.2329 4.2746 4.2815 4.3437 4.5522 4.5749 4.6642 4.6710 4.8389 4.9164 5.1277 5.1932 5.2033 5.2193 5.4950 5.5183 5.8734 5.9203 6.2866 6.3698 6.5095 6.5243 6.7131 6.7248 7.1390 7.1519 8.0215 8.0805 9.6917 9.7189 9.9134 9.9409 10.0241 10.0710 k = 0.0000 0.0000 0.4517 ( 6156 PWs) bands (ev): -8.0380 -8.0376 -7.0316 -7.0283 -6.9500 -6.9482 -6.8412 -6.8351 -2.2052 -2.2015 0.8038 0.8271 1.0959 1.1431 1.4112 1.5028 1.9729 2.0506 2.3759 2.4307 2.4463 2.4683 2.6390 2.6622 2.8085 2.8629 2.8953 2.8999 3.0463 3.0467 3.1144 3.1431 4.0652 4.1634 4.1876 4.2279 4.2296 4.2838 4.2892 4.3409 4.5653 4.5903 4.6935 4.7071 4.8163 4.8977 5.1553 5.1817 5.1855 5.2568 5.4897 5.5122 5.8932 5.9371 6.2771 6.3600 6.5216 6.5362 6.6910 6.6998 7.1301 7.1432 8.0200 8.0795 9.7302 9.7551 9.8778 9.9107 10.0503 10.1020 k = 0.0000 0.0000 0.4733 ( 6148 PWs) bands (ev): -8.0156 -8.0152 -7.0449 -7.0416 -6.9599 -6.9581 -6.8473 -6.8412 -2.1986 -2.1948 0.7690 0.7906 1.0885 1.1424 1.3888 1.4838 1.9605 2.0301 2.3938 2.4490 2.4791 2.5020 2.6584 2.6805 2.8025 2.8593 2.8967 2.9004 3.0501 3.0550 3.1084 3.1367 4.0691 4.1577 4.1904 4.2263 4.2324 4.2928 4.2977 4.3375 4.5768 4.6032 4.7280 4.7460 4.7956 4.8796 5.1240 5.1480 5.2325 5.3025 5.4865 5.5079 5.9125 5.9526 6.2719 6.3538 6.5332 6.5477 6.6737 6.6797 7.1214 7.1347 8.0147 8.0745 9.7569 9.7768 9.8409 9.8764 10.0879 10.1392 k = 0.0000 0.0000 0.4948 ( 6148 PWs) bands (ev): -7.9931 -7.9926 -7.0575 -7.0542 -6.9695 -6.9678 -6.8541 -6.8479 -2.1928 -2.1888 0.7356 0.7557 1.0786 1.1377 1.3713 1.4692 1.9405 2.0027 2.4175 2.4762 2.5137 2.5349 2.6769 2.6981 2.7957 2.8554 2.8979 2.9009 3.0542 3.0634 3.1028 3.1307 4.0731 4.1518 4.1931 4.2229 4.2366 4.3012 4.3067 4.3343 4.5870 4.6139 4.7667 4.7682 4.7950 4.8617 5.0893 5.1130 5.2778 5.3444 5.4869 5.5069 5.9308 5.9665 6.2711 6.3512 6.5441 6.5589 6.6610 6.6647 7.1132 7.1266 8.0053 8.0652 9.7646 9.7801 9.8101 9.8447 10.1340 10.1823 k = 0.0000 0.0000 0.5163 ( 6156 PWs) bands (ev): -7.9705 -7.9700 -7.0692 -7.0659 -6.9790 -6.9773 -6.8616 -6.8554 -2.1877 -2.1836 0.7039 0.7225 1.0657 1.1272 1.3614 1.4600 1.9149 1.9707 2.4452 2.5100 2.5485 2.5665 2.6942 2.7150 2.7885 2.8511 2.8989 2.9014 3.0584 3.0717 3.0976 3.1250 4.0772 4.1458 4.1954 4.2195 4.2405 4.3074 4.3161 4.3326 4.5963 4.6228 4.7505 4.8079 4.8369 4.8442 5.0545 5.0781 5.3166 5.3790 5.4933 5.5123 5.9478 5.9784 6.2748 6.3526 6.5542 6.5697 6.6528 6.6546 7.1056 7.1190 7.9917 8.0516 9.7365 9.7573 9.8028 9.8258 10.1857 10.2300 k = 0.0000 0.0000 0.5378 ( 6158 PWs) bands (ev): -7.9481 -7.9476 -7.0800 -7.0767 -6.9881 -6.9865 -6.8699 -6.8637 -2.1833 -2.1791 0.6738 0.6910 1.0496 1.1102 1.3603 1.4568 1.8860 1.9365 2.4744 2.5476 2.5826 2.5966 2.7097 2.7314 2.7820 2.8469 2.8997 2.9019 3.0626 3.0798 3.0928 3.1196 4.0811 4.1402 4.1974 4.2160 4.2442 4.3090 4.3257 4.3349 4.6044 4.6300 4.7302 4.8208 4.8560 4.8828 5.0209 5.0447 5.3456 5.4024 5.5088 5.5279 5.9632 5.9883 6.2830 6.3582 6.5635 6.5800 6.6490 6.6493 7.0986 7.1119 7.9738 8.0335 9.6910 9.7151 9.8022 9.8155 10.2403 10.2807 k = 0.0000 0.0000 0.5593 ( 6154 PWs) bands (ev): -7.9260 -7.9254 -7.0896 -7.0864 -6.9970 -6.9954 -6.8789 -6.8727 -2.1795 -2.1754 0.6454 0.6612 1.0306 1.0875 1.3673 1.4593 1.8556 1.9018 2.5027 2.5859 2.6156 2.6250 2.7219 2.7475 2.7788 2.8435 2.9005 2.9024 3.0667 3.0876 3.0885 3.1146 4.0845 4.1354 4.1990 4.2126 4.2477 4.3062 4.3356 4.3412 4.6109 4.6352 4.7095 4.8009 4.9004 4.9300 4.9899 5.0148 5.3634 5.4137 5.5346 5.5546 5.9766 5.9962 6.2958 6.3683 6.5722 6.5901 6.6484 6.6490 7.0924 7.1056 7.9513 8.0108 9.6399 9.6643 9.7979 9.8050 10.2956 10.3321 k = 0.0000 0.0000 0.5808 ( 6150 PWs) bands (ev): -7.9043 -7.9038 -7.0981 -7.0948 -7.0054 -7.0039 -6.8886 -6.8825 -2.1764 -2.1723 0.6187 0.6332 1.0093 1.0611 1.3805 1.4667 1.8253 1.8680 2.5278 2.6207 2.6469 2.6514 2.7296 2.7633 2.7829 2.8418 2.9011 2.9030 3.0705 3.0848 3.0948 3.1101 4.0873 4.1320 4.2001 4.2093 4.2513 4.3013 4.3455 4.3492 4.6141 4.6374 4.6896 4.7787 4.9433 4.9625 4.9776 4.9921 5.3722 5.4169 5.5682 5.5881 5.9878 6.0022 6.3130 6.3829 6.5806 6.6000 6.6511 6.6525 7.0869 7.0998 7.9242 7.9832 9.5852 9.6088 9.7895 9.7922 10.3494 10.3821 k = 0.0000 0.0000 0.6023 ( 6134 PWs) bands (ev): -7.8833 -7.8827 -7.1052 -7.1020 -7.0134 -7.0120 -6.8990 -6.8930 -2.1738 -2.1698 0.5939 0.6072 0.9867 1.0329 1.3978 1.4776 1.7967 1.8362 2.5480 2.6451 2.6750 2.6758 2.7374 2.7785 2.7960 2.8435 2.9019 2.9036 3.0737 3.0819 3.1006 3.1071 4.0889 4.1304 4.2005 4.2061 4.2549 4.2959 4.3554 4.3576 4.6106 4.6352 4.6741 4.7566 4.9396 4.9557 5.0047 5.0247 5.3758 5.4163 5.6059 5.6243 5.9967 6.0064 6.3341 6.4020 6.5893 6.6101 6.6568 6.6589 7.0822 7.0948 7.8925 7.9507 9.5276 9.5499 9.7770 9.7776 10.3999 10.4282 k = 0.0000 0.0000 0.6238 ( 6138 PWs) bands (ev): -7.8632 -7.8625 -7.1109 -7.1077 -7.0209 -7.0196 -6.9101 -6.9042 -2.1717 -2.1678 0.5710 0.5830 0.9635 1.0042 1.4171 1.4903 1.7713 1.8077 2.5619 2.6523 2.6951 2.7016 2.7530 2.7918 2.8168 2.8506 2.9028 2.9044 3.0751 3.0809 3.0999 3.1103 4.0894 4.1307 4.1998 4.2033 4.2587 4.2903 4.3650 4.3656 4.5965 4.6260 4.6671 4.7374 4.9212 4.9420 5.0472 5.0705 5.3769 5.4142 5.6447 5.6605 6.0035 6.0091 6.3587 6.4253 6.5987 6.6206 6.6648 6.6677 7.0783 7.0905 7.8561 7.9134 9.4680 9.4886 9.7601 9.7630 10.4452 10.4680 k = 0.0000 0.0000 0.6453 ( 6134 PWs) bands (ev): -7.8440 -7.8434 -7.1151 -7.1119 -7.0279 -7.0266 -6.9218 -6.9160 -2.1701 -2.1663 0.5500 0.5608 0.9406 0.9761 1.4367 1.5027 1.7511 1.7837 2.5687 2.6444 2.7130 2.7237 2.7730 2.8022 2.8440 2.8642 2.9045 2.9055 3.0739 3.0826 3.0965 3.1161 4.0890 4.1327 4.1977 4.2009 4.2627 4.2851 4.3731 4.3743 4.5742 4.6081 4.6670 4.7242 4.9073 4.9294 5.0910 5.1142 5.3775 5.4122 5.6826 5.6954 6.0083 6.0107 6.3862 6.4521 6.6093 6.6319 6.6748 6.6788 7.0752 7.0869 7.8153 7.8713 9.4070 9.4258 9.7422 9.7466 10.4838 10.5003 k = 0.0000 0.0000 0.6669 ( 6120 PWs) bands (ev): -7.8260 -7.8254 -7.1177 -7.1145 -7.0343 -7.0332 -6.9341 -6.9284 -2.1688 -2.1653 0.5309 0.5405 0.9187 0.9494 1.4545 1.5124 1.7379 1.7657 2.5687 2.6285 2.7291 2.7423 2.7916 2.8104 2.8747 2.8813 2.9081 2.9086 3.0721 3.0849 3.0930 3.1218 4.0883 4.1360 4.1949 4.1983 4.2671 4.2806 4.3797 4.3833 4.5485 4.5825 4.6700 4.7169 4.8974 4.9196 5.1325 5.1545 5.3789 5.4110 5.7186 5.7281 6.0115 6.0115 6.4160 6.4813 6.6214 6.6441 6.6868 6.6921 7.0729 7.0839 7.7704 7.8247 9.3457 9.3626 9.7238 9.7292 10.5154 10.5257 k = 0.0000 0.0000 0.6884 ( 6136 PWs) bands (ev): -7.8095 -7.8088 -7.1187 -7.1155 -7.0402 -7.0391 -6.9467 -6.9412 -2.1678 -2.1645 0.5138 0.5223 0.8981 0.9244 1.4687 1.5171 1.7334 1.7550 2.5628 2.6087 2.7431 2.7576 2.8073 2.8177 2.8935 2.8974 2.9204 2.9205 3.0704 3.0871 3.0897 3.1270 4.0877 4.1399 4.1917 4.1947 4.2717 4.2772 4.3850 4.3916 4.5229 4.5525 4.6739 4.7132 4.8907 4.9122 5.1700 5.1901 5.3823 5.4116 5.7517 5.7581 6.0116 6.0133 6.4468 6.5110 6.6356 6.6573 6.7008 6.7076 7.0711 7.0814 7.7220 7.7742 9.2851 9.3001 9.7058 9.7116 10.5405 10.5455 k = 0.0000 0.0000 0.7099 ( 6140 PWs) bands (ev): -7.7944 -7.7938 -7.1181 -7.1148 -7.0454 -7.0444 -6.9596 -6.9543 -2.1671 -2.1641 0.4987 0.5060 0.8793 0.9017 1.4779 1.5162 1.7378 1.7523 2.5521 2.5869 2.7551 2.7700 2.8205 2.8248 2.8984 2.9029 2.9406 2.9495 3.0691 3.0866 3.0893 3.1318 4.0878 4.1442 4.1872 4.1907 4.2754 4.2767 4.3884 4.3991 4.4993 4.5212 4.6780 4.7113 4.8867 4.9068 5.2025 5.2199 5.3885 5.4144 5.7813 5.7850 6.0113 6.0141 6.4777 6.5390 6.6525 6.6712 6.7177 6.7260 7.0700 7.0794 7.6709 7.7205 9.2266 9.2396 9.6886 9.6944 10.5602 10.5614 k = 0.0000 0.0000 0.7314 ( 6140 PWs) bands (ev): -7.7811 -7.7805 -7.1159 -7.1126 -7.0500 -7.0491 -6.9727 -6.9676 -2.1665 -2.1639 0.4856 0.4919 0.8628 0.8814 1.4820 1.5106 1.7494 1.7572 2.5384 2.5643 2.7655 2.7797 2.8315 2.8318 2.9007 2.9047 2.9623 2.9796 3.0682 3.0837 3.0915 3.1359 4.0887 4.1487 4.1803 4.1876 4.2754 4.2822 4.3893 4.4054 4.4794 4.4906 4.6819 4.7101 4.8847 4.9028 5.2288 5.2428 5.3982 5.4201 5.8069 5.8084 6.0109 6.0141 6.5072 6.5627 6.6719 6.6855 6.7386 6.7477 7.0693 7.0777 7.6182 7.6646 9.1715 9.1826 9.6728 9.6783 10.5744 10.5757 k = 0.0000 0.0000 0.7529 ( 6148 PWs) bands (ev): -7.7696 -7.7691 -7.1122 -7.1090 -7.0538 -7.0531 -6.9857 -6.9809 -2.1661 -2.1639 0.4746 0.4798 0.8486 0.8638 1.4819 1.5024 1.7651 1.7680 2.5230 2.5420 2.7741 2.7871 2.8385 2.8404 2.9025 2.9059 2.9828 3.0062 3.0678 3.0812 3.0942 3.1391 4.0907 4.1531 4.1715 4.1849 4.2773 4.2880 4.3867 4.4093 4.4630 4.4644 4.6856 4.7090 4.8842 4.8999 5.2486 5.2589 5.4109 5.4282 5.8283 5.8284 6.0104 6.0137 6.5339 6.5808 6.6917 6.6997 6.7646 6.7728 7.0689 7.0763 7.5656 7.6080 9.1215 9.1307 9.6589 9.6639 10.5852 10.5879 k = 0.0000 0.0000 0.7744 ( 6132 PWs) bands (ev): -7.7600 -7.7596 -7.1073 -7.1042 -7.0571 -7.0565 -6.9982 -6.9937 -2.1658 -2.1640 0.4656 0.4698 0.8370 0.8490 1.4794 1.4936 1.7821 1.7822 2.5076 2.5211 2.7814 2.7924 2.8444 2.8473 2.9041 2.9070 3.0009 3.0272 3.0681 3.0789 3.0982 3.1411 4.0940 4.1573 4.1616 4.1824 4.2814 4.2943 4.3808 4.4072 4.4432 4.4547 4.6891 4.7079 4.8848 4.8976 5.2625 5.2694 5.4251 5.4379 5.8444 5.8455 6.0100 6.0130 6.5567 6.5934 6.7094 6.7131 6.7957 6.8010 7.0689 7.0750 7.5151 7.5525 9.0779 9.0853 9.6472 9.6514 10.5942 10.5974 k = 0.0000 0.0000 0.7959 ( 6138 PWs) bands (ev): -7.7524 -7.7521 -7.1015 -7.0986 -7.0596 -7.0591 -7.0098 -7.0059 -2.1655 -2.1641 0.4588 0.4619 0.8282 0.8370 1.4759 1.4854 1.7966 1.7981 2.4937 2.5028 2.7872 2.7958 2.8495 2.8523 2.9057 2.9079 3.0161 3.0408 3.0691 3.0769 3.1045 3.1416 4.0986 4.1509 4.1613 4.1798 4.2874 4.3005 4.3726 4.3938 4.4366 4.4490 4.6922 4.7064 4.8859 4.8958 5.2715 5.2756 5.4386 5.4475 5.8569 5.8584 6.0097 6.0122 6.5749 6.6015 6.7236 6.7248 6.8286 6.8302 7.0691 7.0738 7.4698 7.5007 9.0424 9.0479 9.6380 9.6413 10.6015 10.6044 k = 0.0000 0.0000 0.8174 ( 6142 PWs) bands (ev): -7.7470 -7.7468 -7.0955 -7.0930 -7.0613 -7.0610 -7.0196 -7.0165 -2.1653 -2.1643 0.4540 0.4561 0.8222 0.8280 1.4729 1.4787 1.8091 1.8108 2.4827 2.4883 2.7918 2.7977 2.8533 2.8556 2.9070 2.9085 3.0284 3.0468 3.0705 3.0752 3.1132 3.1402 4.1045 4.1401 4.1650 4.1772 4.2950 4.3063 4.3640 4.3763 4.4372 4.4457 4.6952 4.7046 4.8875 4.8941 5.2769 5.2792 5.4499 5.4554 5.8659 5.8672 6.0096 6.0114 6.5887 6.6058 6.7338 6.7340 6.8573 6.8581 7.0695 7.0726 7.4337 7.4563 9.0161 9.0198 9.6315 9.6337 10.6070 10.6092 k = 0.0000 0.0000 0.8389 ( 6144 PWs) bands (ev): -7.7437 -7.7436 -7.0903 -7.0888 -7.0623 -7.0622 -7.0263 -7.0245 -2.1650 -2.1646 0.4513 0.4524 0.8191 0.8221 1.4713 1.4740 1.8178 1.8189 2.4760 2.4787 2.7951 2.7982 2.8559 2.8571 2.9080 2.9088 3.0377 3.0473 3.0717 3.0738 3.1225 3.1366 4.1117 4.1298 4.1684 4.1745 4.3031 4.3101 4.3572 4.3621 4.4392 4.4434 4.6979 4.7026 4.8892 4.8925 5.2799 5.2809 5.4576 5.4602 5.8714 5.8722 6.0097 6.0106 6.5984 6.6067 6.7399 6.7400 6.8773 6.8786 7.0700 7.0716 7.4117 7.4238 9.0003 9.0022 9.6278 9.6289 10.6106 10.6118 k = 0.0000 0.0000 0.8605 ( 6152 PWs) bands (ev): -7.7425 -7.7425 -7.0876 -7.0876 -7.0626 -7.0626 -7.0282 -7.0282 -2.1648 -2.1648 0.4508 0.4508 0.8191 0.8191 1.4716 1.4716 1.8213 1.8213 2.4745 2.4745 2.7973 2.7973 2.8571 2.8571 2.9086 2.9086 3.0441 3.0441 3.0727 3.0727 3.1306 3.1306 4.1202 4.1202 4.1716 4.1716 4.3093 4.3093 4.3554 4.3554 4.4414 4.4414 4.7003 4.7003 4.8908 4.8908 5.2811 5.2811 5.4611 5.4611 5.8735 5.8735 6.0101 6.0101 6.6043 6.6043 6.7420 6.7420 6.8854 6.8854 7.0707 7.0707 7.4080 7.4080 8.9956 8.9956 9.6269 9.6269 10.6122 10.6122 k = 0.0000 0.0000 0.8605 ( 6152 PWs) bands (ev): -7.7425 -7.7425 -7.0876 -7.0876 -7.0626 -7.0626 -7.0282 -7.0282 -2.1648 -2.1648 0.4508 0.4508 0.8191 0.8191 1.4716 1.4716 1.8213 1.8213 2.4745 2.4745 2.7973 2.7973 2.8571 2.8571 2.9086 2.9086 3.0441 3.0441 3.0727 3.0727 3.1306 3.1306 4.1202 4.1202 4.1716 4.1716 4.3093 4.3093 4.3554 4.3554 4.4414 4.4414 4.7003 4.7003 4.8908 4.8908 5.2811 5.2811 5.4611 5.4611 5.8735 5.8735 6.0101 6.0101 6.6043 6.6043 6.7420 6.7420 6.8854 6.8854 7.0707 7.0707 7.4080 7.4080 8.9956 8.9956 9.6269 9.6269 10.6122 10.6122 k =-0.0116 0.0162 0.8605 ( 6152 PWs) bands (ev): -7.7426 -7.7426 -7.0874 -7.0873 -7.0632 -7.0628 -7.0284 -7.0281 -2.1643 -2.1641 0.4519 0.4523 0.8194 0.8210 1.4710 1.4718 1.8194 1.8237 2.4716 2.4777 2.7924 2.8016 2.8569 2.8570 2.9073 2.9093 3.0390 3.0455 3.0697 3.0743 3.1298 3.1335 4.1169 4.1220 4.1650 4.1784 4.3075 4.3103 4.3522 4.3585 4.4394 4.4430 4.6952 4.7070 4.8900 4.8909 5.2789 5.2818 5.4582 5.4584 5.8723 5.8724 6.0125 6.0142 6.6033 6.6049 6.7386 6.7407 6.8850 6.8870 7.0665 7.0691 7.4079 7.4114 8.9967 8.9979 9.6311 9.6323 10.6107 10.6129 k =-0.0232 0.0325 0.8605 ( 6144 PWs) bands (ev): -7.7429 -7.7429 -7.0864 -7.0862 -7.0647 -7.0638 -7.0288 -7.0282 -2.1625 -2.1623 0.4556 0.4564 0.8221 0.8253 1.4700 1.4717 1.8181 1.8267 2.4690 2.4813 2.7872 2.8056 2.8563 2.8565 2.9054 2.9094 3.0309 3.0409 3.0678 3.0745 3.1307 3.1378 4.1121 4.1228 4.1590 4.1850 4.3053 4.3102 4.3494 4.3612 4.4371 4.4442 4.6918 4.7152 4.8885 4.8903 5.2753 5.2810 5.4502 5.4503 5.8688 5.8689 6.0212 6.0246 6.6021 6.6050 6.7307 6.7346 6.8857 6.8895 7.0569 7.0618 7.4112 7.4180 9.0013 9.0037 9.6448 9.6471 10.6083 10.6125 k =-0.0348 0.0487 0.8605 ( 6148 PWs) bands (ev): -7.7434 -7.7434 -7.0848 -7.0845 -7.0669 -7.0656 -7.0292 -7.0283 -2.1596 -2.1593 0.4618 0.4630 0.8271 0.8319 1.4687 1.4712 1.8173 1.8301 2.4667 2.4851 2.7813 2.8090 2.8553 2.8556 2.9027 2.9090 3.0197 3.0293 3.0686 3.0746 3.1326 3.1423 4.1057 4.1224 4.1539 4.1910 4.3025 4.3089 4.3473 4.3631 4.4346 4.4450 4.6901 4.7247 4.8863 4.8889 5.2702 5.2789 5.4377 5.4377 5.8630 5.8631 6.0352 6.0400 6.6008 6.6047 6.7189 6.7242 6.8874 6.8925 7.0423 7.0493 7.4180 7.4273 9.0096 9.0128 9.6673 9.6704 10.6048 10.6107 k =-0.0463 0.0649 0.8605 ( 6138 PWs) bands (ev): -7.7441 -7.7441 -7.0826 -7.0821 -7.0698 -7.0682 -7.0297 -7.0285 -2.1556 -2.1551 0.4705 0.4722 0.8343 0.8408 1.4669 1.4702 1.8172 1.8342 2.4648 2.4893 2.7749 2.8120 2.8540 2.8544 2.8996 2.9083 3.0057 3.0130 3.0710 3.0752 3.1348 3.1463 4.0981 4.1213 4.1497 4.1965 4.2995 4.3063 4.3458 4.3639 4.4320 4.4455 4.6902 4.7355 4.8834 4.8868 5.2634 5.2752 5.4214 5.4219 5.8553 5.8553 6.0534 6.0592 6.5995 6.6039 6.7038 6.7099 6.8896 6.8957 7.0234 7.0323 7.4280 7.4393 9.0213 9.0252 9.6977 9.7014 10.5997 10.6069 k =-0.0579 0.0811 0.8605 ( 6132 PWs) bands (ev): -7.7451 -7.7451 -7.0799 -7.0791 -7.0733 -7.0716 -7.0302 -7.0288 -2.1506 -2.1500 0.4817 0.4838 0.8438 0.8520 1.4647 1.4687 1.8176 1.8387 2.4631 2.4937 2.7677 2.8145 2.8522 2.8527 2.8960 2.9072 2.9893 2.9937 3.0739 3.0765 3.1367 3.1495 4.0898 4.1193 4.1462 4.2013 4.2961 4.3027 4.3448 4.3633 4.4297 4.4459 4.6920 4.7474 4.8799 4.8840 5.2551 5.2701 5.4025 5.4038 5.8458 5.8458 6.0741 6.0806 6.5985 6.6024 6.6861 6.6924 6.8920 6.8987 7.0011 7.0118 7.4413 7.4537 9.0366 9.0408 9.7347 9.7385 10.5924 10.6005 k =-0.0695 0.0974 0.8605 ( 6136 PWs) bands (ev): -7.7464 -7.7463 -7.0791 -7.0763 -7.0751 -7.0749 -7.0306 -7.0290 -2.1446 -2.1439 0.4953 0.4979 0.8556 0.8656 1.4621 1.4666 1.8186 1.8437 2.4618 2.4982 2.7596 2.8161 2.8501 2.8506 2.8922 2.9053 2.9709 2.9725 3.0768 3.0786 3.1383 3.1516 4.0812 4.1165 4.1431 4.2055 4.2924 4.2982 4.3439 4.3611 4.4276 4.4460 4.6957 4.7603 4.8757 4.8805 5.2449 5.2634 5.3820 5.3843 5.8349 5.8349 6.0957 6.1027 6.5978 6.6001 6.6666 6.6722 6.8944 6.9012 6.9761 6.9888 7.4577 7.4705 9.0551 9.0593 9.7766 9.7802 10.5823 10.5908 k =-0.0811 0.1136 0.8605 ( 6134 PWs) bands (ev): -7.7479 -7.7479 -7.0837 -7.0808 -7.0715 -7.0711 -7.0308 -7.0291 -2.1377 -2.1371 0.5113 0.5143 0.8697 0.8814 1.4588 1.4639 1.8202 1.8492 2.4607 2.5029 2.7502 2.8166 2.8479 2.8480 2.8885 2.9018 2.9513 2.9514 3.0793 3.0813 3.1397 3.1527 4.0728 4.1129 4.1402 4.2092 4.2883 4.2933 4.3427 4.3574 4.4260 4.4460 4.7012 4.7741 4.8710 4.8762 5.2330 5.2551 5.3607 5.3642 5.8229 5.8230 6.1171 6.1243 6.5960 6.5978 6.6462 6.6499 6.8964 6.9031 6.9492 6.9645 7.4773 7.4898 9.0765 9.0805 9.8214 9.8246 10.5687 10.5773 k =-0.0927 0.1298 0.8605 ( 6130 PWs) bands (ev): -7.7498 -7.7498 -7.0895 -7.0864 -7.0669 -7.0663 -7.0309 -7.0290 -2.1302 -2.1295 0.5295 0.5330 0.8860 0.8995 1.4549 1.4604 1.8224 1.8551 2.4598 2.5077 2.7393 2.8154 2.8446 2.8457 2.8850 2.8936 2.9313 2.9342 3.0813 3.0843 3.1412 3.1528 4.0650 4.1088 4.1374 4.2126 4.2839 4.2880 4.3409 4.3524 4.4248 4.4459 4.7084 4.7886 4.8658 4.8714 5.2192 5.2451 5.3391 5.3440 5.8102 5.8105 6.1369 6.1442 6.5885 6.5983 6.6259 6.6273 6.8979 6.9038 6.9214 6.9401 7.5002 7.5117 9.1006 9.1039 9.8673 9.8697 10.5510 10.5592 k =-0.1043 0.1460 0.8605 ( 6130 PWs) bands (ev): -7.7521 -7.7521 -7.0961 -7.0928 -7.0615 -7.0609 -7.0306 -7.0286 -2.1221 -2.1214 0.5499 0.5539 0.9046 0.9199 1.4504 1.4561 1.8252 1.8615 2.4592 2.5124 2.7263 2.8112 2.8407 2.8430 2.8785 2.8819 2.9115 2.9252 3.0824 3.0875 3.1429 3.1522 4.0579 4.1041 4.1344 4.2159 4.2790 4.2826 4.3387 4.3462 4.4239 4.4457 4.7171 4.8037 4.8602 4.8661 5.2036 5.2335 5.3177 5.3241 5.7972 5.7976 6.1542 6.1614 6.5743 6.5992 6.6007 6.6130 6.8911 6.9006 6.9010 6.9195 7.5263 7.5364 9.1266 9.1292 9.9120 9.9135 10.5286 10.5361 k =-0.1159 0.1623 0.8605 ( 6128 PWs) bands (ev): -7.7549 -7.7548 -7.1032 -7.0998 -7.0557 -7.0549 -7.0300 -7.0279 -2.1136 -2.1130 0.5725 0.5769 0.9253 0.9425 1.4450 1.4508 1.8286 1.8683 2.4587 2.5169 2.7108 2.8012 2.8362 2.8382 2.8634 2.8794 2.8929 2.9221 3.0826 3.0907 3.1451 3.1510 4.0518 4.0988 4.1313 4.2191 4.2735 4.2771 4.3358 4.3392 4.4232 4.4453 4.7272 4.8190 4.8544 4.8606 5.1860 5.2202 5.2968 5.3049 5.7843 5.7848 6.1682 6.1754 6.5533 6.5740 6.6008 6.6035 6.8644 6.8854 6.9007 6.9115 7.5559 7.5639 9.1538 9.1555 9.9533 9.9537 10.5009 10.5075 k =-0.1275 0.1785 0.8605 ( 6136 PWs) bands (ev): -7.7580 -7.7580 -7.1110 -7.1074 -7.0492 -7.0485 -7.0289 -7.0267 -2.1048 -2.1043 0.5970 0.6020 0.9481 0.9673 1.4388 1.4446 1.8327 1.8754 2.4583 2.5211 2.6924 2.7820 2.8307 2.8312 2.8561 2.8757 2.8778 2.9217 3.0819 3.0935 3.1480 3.1497 4.0467 4.0932 4.1279 4.2224 4.2674 4.2716 4.3317 4.3323 4.4226 4.4447 4.7385 4.8331 4.8484 4.8563 5.1667 5.2053 5.2767 5.2865 5.7717 5.7724 6.1786 6.1857 6.5285 6.5468 6.5954 6.6016 6.8383 6.8655 6.9006 6.9096 7.5887 7.5942 9.1816 9.1821 9.9885 9.9893 10.4676 10.4731 k =-0.1275 0.1785 0.8605 ( 6136 PWs) bands (ev): -7.7580 -7.7580 -7.1110 -7.1074 -7.0492 -7.0485 -7.0289 -7.0267 -2.1048 -2.1043 0.5970 0.6020 0.9481 0.9673 1.4388 1.4446 1.8327 1.8754 2.4583 2.5211 2.6924 2.7820 2.8307 2.8312 2.8561 2.8757 2.8778 2.9217 3.0819 3.0935 3.1480 3.1497 4.0467 4.0932 4.1279 4.2224 4.2674 4.2716 4.3317 4.3323 4.4226 4.4447 4.7385 4.8331 4.8484 4.8563 5.1667 5.2053 5.2767 5.2865 5.7717 5.7724 6.1786 6.1857 6.5285 6.5468 6.5954 6.6016 6.8383 6.8655 6.9006 6.9096 7.5887 7.5942 9.1816 9.1821 9.9885 9.9893 10.4676 10.4731 k =-0.1363 0.1909 0.8452 ( 6140 PWs) bands (ev): -7.7612 -7.7611 -7.1171 -7.1134 -7.0503 -7.0468 -7.0235 -7.0194 -2.0981 -2.0976 0.6176 0.6229 0.9678 0.9885 1.4341 1.4398 1.8345 1.8792 2.4592 2.5251 2.6760 2.7613 2.8244 2.8266 2.8539 2.8643 2.8767 2.9222 3.0808 3.0949 3.1462 3.1525 4.0436 4.0888 4.1253 4.2250 4.2615 4.2680 4.3264 4.3293 4.4220 4.4458 4.7473 4.8374 4.8445 4.8591 5.1507 5.1928 5.2616 5.2725 5.7604 5.7630 6.1833 6.1913 6.5070 6.5242 6.5885 6.6015 6.8200 6.8512 6.8984 6.9068 7.6177 7.6246 9.2036 9.2042 10.0081 10.0152 10.4357 10.4425 k =-0.1452 0.2033 0.8299 ( 6140 PWs) bands (ev): -7.7651 -7.7649 -7.1231 -7.1193 -7.0557 -7.0516 -7.0112 -7.0063 -2.0915 -2.0907 0.6400 0.6458 0.9901 1.0124 1.4303 1.4360 1.8334 1.8794 2.4623 2.5307 2.6575 2.7368 2.8174 2.8209 2.8512 2.8540 2.8767 2.9233 3.0792 3.0954 3.1429 3.1556 4.0414 4.0849 4.1223 4.2276 4.2538 4.2658 4.3219 4.3257 4.4210 4.4505 4.7553 4.8339 4.8412 4.8697 5.1340 5.1792 5.2466 5.2582 5.7467 5.7520 6.1845 6.1953 6.4819 6.4987 6.5807 6.6002 6.8042 6.8389 6.8925 6.9012 7.6528 7.6640 9.2268 9.2285 10.0211 10.0380 10.3954 10.4098 k =-0.1541 0.2158 0.8147 ( 6142 PWs) bands (ev): -7.7697 -7.7695 -7.1290 -7.1252 -7.0620 -7.0580 -6.9967 -6.9916 -2.0849 -2.0838 0.6643 0.6704 1.0151 1.0390 1.4273 1.4330 1.8294 1.8762 2.4668 2.5370 2.6373 2.7098 2.8095 2.8142 2.8417 2.8505 2.8772 2.9249 3.0776 3.0952 3.1393 3.1581 4.0400 4.0813 4.1189 4.2302 4.2449 4.2645 4.3177 4.3217 4.4202 4.4583 4.7617 4.8287 4.8390 4.8824 5.1167 5.1648 5.2318 5.2438 5.7310 5.7392 6.1825 6.1973 6.4541 6.4708 6.5717 6.5970 6.7918 6.8293 6.8839 6.8940 7.6938 7.7094 9.2500 9.2531 10.0254 10.0553 10.3505 10.3775 k =-0.1629 0.2282 0.7994 ( 6140 PWs) bands (ev): -7.7749 -7.7746 -7.1348 -7.1309 -7.0685 -7.0645 -6.9815 -6.9762 -2.0784 -2.0769 0.6903 0.6968 1.0428 1.0683 1.4253 1.4309 1.8227 1.8697 2.4717 2.5424 2.6165 2.6814 2.8005 2.8067 2.8309 2.8482 2.8779 2.9271 3.0762 3.0948 3.1353 3.1598 4.0396 4.0783 4.1151 4.2324 4.2355 4.2640 4.3132 4.3179 4.4205 4.4688 4.7660 4.8234 4.8388 4.8952 5.0991 5.1498 5.2174 5.2294 5.7136 5.7250 6.1778 6.1973 6.4240 6.4409 6.5614 6.5910 6.7838 6.8229 6.8736 6.8860 7.7391 7.7587 9.2717 9.2765 10.0182 10.0631 10.3079 10.3505 k =-0.1718 0.2406 0.7841 ( 6143 PWs) bands (ev): -7.7804 -7.7802 -7.1404 -7.1364 -7.0748 -7.0711 -6.9659 -6.9605 -2.0720 -2.0702 0.7177 0.7247 1.0729 1.1000 1.4241 1.4297 1.8136 1.8602 2.4758 2.5429 2.5988 2.6525 2.7900 2.7984 2.8200 2.8462 2.8787 2.9299 3.0752 3.0943 3.1313 3.1609 4.0402 4.0758 4.1107 4.2249 4.2349 4.2638 4.3084 4.3146 4.4224 4.4812 4.7679 4.8183 4.8409 4.9072 5.0816 5.1343 5.2037 5.2151 5.6946 5.7094 6.1706 6.1951 6.3926 6.4098 6.5497 6.5820 6.7808 6.8200 6.8623 6.8777 7.7873 7.8105 9.2904 9.2969 9.9981 10.0551 10.2771 10.3328 k =-0.1807 0.2530 0.7689 ( 6149 PWs) bands (ev): -7.7863 -7.7860 -7.1458 -7.1418 -7.0810 -7.0774 -6.9503 -6.9447 -2.0658 -2.0636 0.7466 0.7538 1.1055 1.1340 1.4238 1.4293 1.8024 1.8483 2.4767 2.5321 2.5904 2.6245 2.7777 2.7892 2.8096 2.8446 2.8794 2.9335 3.0747 3.0938 3.1273 3.1615 4.0417 4.0739 4.1060 4.2142 4.2366 4.2637 4.3035 4.3115 4.4261 4.4951 4.7678 4.8139 4.8450 4.9179 5.0645 5.1186 5.1908 5.2011 5.6744 5.6927 6.1614 6.1909 6.3606 6.3781 6.5367 6.5701 6.7827 6.8203 6.8510 6.8696 7.8369 7.8632 9.3048 9.3132 9.9664 10.0272 10.2650 10.3258 k =-0.1895 0.2655 0.7536 ( 6146 PWs) bands (ev): -7.7923 -7.7919 -7.1509 -7.1469 -7.0869 -7.0835 -6.9348 -6.9291 -2.0599 -2.0572 0.7767 0.7842 1.1404 1.1702 1.4244 1.4296 1.7893 1.8343 2.4710 2.5106 2.5906 2.5997 2.7637 2.7785 2.8006 2.8436 2.8800 2.9378 3.0747 3.0935 3.1235 3.1618 4.0442 4.0724 4.1009 4.2032 4.2380 4.2633 4.2992 4.3086 4.4318 4.5102 4.7666 4.8103 4.8501 4.9263 5.0488 5.1029 5.1787 5.1877 5.6533 5.6754 6.1505 6.1848 6.3287 6.3463 6.5229 6.5561 6.7886 6.8226 6.8408 6.8619 7.8865 7.9157 9.3137 9.3240 9.9272 9.9842 10.2691 10.3280 k =-0.1984 0.2779 0.7383 ( 6152 PWs) bands (ev): -7.7983 -7.7979 -7.1559 -7.1518 -7.0925 -7.0893 -6.9196 -6.9138 -2.0541 -2.0511 0.8078 0.8155 1.1773 1.2082 1.4259 1.4308 1.7747 1.8186 2.4541 2.4853 2.5798 2.5944 2.7481 2.7659 2.7937 2.8433 2.8804 2.9430 3.0754 3.0933 3.1201 3.1618 4.0475 4.0713 4.0954 4.1920 4.2393 4.2622 4.2955 4.3059 4.4392 4.5261 4.7653 4.8079 4.8551 4.9311 5.0354 5.0874 5.1674 5.1748 5.6319 5.6576 6.1381 6.1769 6.2977 6.3152 6.5086 6.5406 6.7975 6.8218 6.8364 6.8553 7.9352 7.9668 9.3162 9.3285 9.8850 9.9344 10.2830 10.3371 k =-0.2073 0.2903 0.7231 ( 6162 PWs) bands (ev): -7.8042 -7.8038 -7.1606 -7.1565 -7.0978 -7.0948 -6.9050 -6.8990 -2.0487 -2.0453 0.8397 0.8475 1.2159 1.2477 1.4286 1.4328 1.7588 1.8016 2.4258 2.4574 2.5678 2.5971 2.7313 2.7517 2.7889 2.8436 2.8808 2.9490 3.0766 3.0932 3.1173 3.1616 4.0513 4.0707 4.0897 4.1807 4.2405 4.2602 4.2925 4.3034 4.4481 4.5425 4.7645 4.8071 4.8592 4.9308 5.0258 5.0727 5.1567 5.1629 5.6104 5.6399 6.1245 6.1671 6.2684 6.2851 6.4943 6.5246 6.8078 6.8137 6.8397 6.8521 7.9818 8.0156 9.3121 9.3264 9.8436 9.8843 10.3023 10.3509 k =-0.2162 0.3027 0.7078 ( 6158 PWs) bands (ev): -7.8100 -7.8096 -7.1650 -7.1609 -7.1027 -7.0999 -6.8910 -6.8849 -2.0436 -2.0399 0.8721 0.8799 1.2559 1.2880 1.4326 1.4361 1.7419 1.7838 2.3905 2.4253 2.5609 2.5984 2.7138 2.7363 2.7860 2.8446 2.8814 2.9556 3.0784 3.0931 3.1152 3.1613 4.0554 4.0708 4.0840 4.1696 4.2417 4.2573 4.2905 4.3014 4.4581 4.5590 4.7648 4.8081 4.8616 4.9247 5.0207 5.0590 5.1462 5.1522 5.5896 5.6228 6.1097 6.1552 6.2417 6.2568 6.4805 6.5085 6.8041 6.8164 6.8422 6.8572 8.0255 8.0611 9.3014 9.3177 9.8056 9.8374 10.3247 10.3684 k =-0.2250 0.3152 0.6925 ( 6155 PWs) bands (ev): -7.8156 -7.8151 -7.1690 -7.1650 -7.1073 -7.1047 -6.8777 -6.8715 -2.0388 -2.0348 0.9048 0.9125 1.2962 1.3276 1.4373 1.4427 1.7241 1.7656 2.3513 2.3890 2.5565 2.5982 2.6958 2.7202 2.7845 2.8459 2.8822 2.9626 3.0806 3.0931 3.1139 3.1610 4.0588 4.0717 4.0787 4.1589 4.2429 4.2536 4.2891 4.2998 4.4688 4.5754 4.7665 4.8110 4.8619 4.9137 5.0190 5.0468 5.1356 5.1430 5.5698 5.6065 6.0941 6.1411 6.2183 6.2308 6.4674 6.4930 6.7948 6.8181 6.8493 6.8675 8.0656 8.1027 9.2851 9.3032 9.7722 9.7955 10.3492 10.3886 k =-0.2339 0.3276 0.6773 ( 6155 PWs) bands (ev): -7.8208 -7.8204 -7.1728 -7.1687 -7.1115 -7.1092 -6.8654 -6.8591 -2.0345 -2.0301 0.9374 0.9450 1.3349 1.3643 1.4430 1.4561 1.7059 1.7477 2.3092 2.3496 2.5529 2.5965 2.6778 2.7039 2.7841 2.8473 2.8834 2.9699 3.0830 3.0931 3.1134 3.1607 4.0604 4.0711 4.0775 4.1487 4.2441 4.2494 4.2882 4.2987 4.4799 4.5913 4.7696 4.8154 4.8602 4.8998 5.0188 5.0362 5.1253 5.1349 5.5516 5.5917 6.0778 6.1246 6.1987 6.2074 6.4552 6.4782 6.7859 6.8143 6.8618 6.8794 8.1014 8.1396 9.2647 9.2841 9.7440 9.7595 10.3756 10.4113 k =-0.2428 0.3400 0.6620 ( 6164 PWs) bands (ev): -7.8257 -7.8252 -7.1762 -7.1721 -7.1153 -7.1132 -6.8540 -6.8476 -2.0305 -2.0258 0.9695 0.9768 1.3671 1.3953 1.4526 1.4800 1.6873 1.7306 2.2650 2.3076 2.5492 2.5938 2.6600 2.6878 2.7845 2.8485 2.8849 2.9772 3.0855 3.0932 3.1136 3.1603 4.0595 4.0676 4.0821 4.1394 4.2436 4.2463 4.2877 4.2978 4.4909 4.6066 4.7740 4.8200 4.8576 4.8853 5.0180 5.0275 5.1153 5.1274 5.5354 5.5785 6.0611 6.1064 6.1827 6.1868 6.4442 6.4644 6.7778 6.8090 6.8761 6.8918 8.1326 8.1715 9.2420 9.2621 9.7206 9.7294 10.4033 10.4360 k =-0.2516 0.3524 0.6467 ( 6161 PWs) bands (ev): -7.8301 -7.8296 -7.1792 -7.1752 -7.1187 -7.1168 -6.8438 -6.8373 -2.0269 -2.0219 1.0007 1.0077 1.3871 1.4177 1.4725 1.5147 1.6688 1.7157 2.2190 2.2634 2.5456 2.5907 2.6428 2.6722 2.7855 2.8496 2.8868 2.9841 3.0877 3.0940 3.1144 3.1599 4.0564 4.0652 4.0883 4.1311 4.2389 4.2472 4.2874 4.2972 4.5018 4.6211 4.7791 4.8205 4.8581 4.8723 5.0152 5.0211 5.1061 5.1201 5.5217 5.5674 6.0447 6.0873 6.1691 6.1697 6.4345 6.4520 6.7703 6.8035 6.8905 6.9041 8.1588 8.1982 9.2189 9.2388 9.7012 9.7050 10.4322 10.4622 k =-0.2605 0.3648 0.6315 ( 6163 PWs) bands (ev): -7.8340 -7.8335 -7.1819 -7.1778 -7.1216 -7.1199 -6.8347 -6.8282 -2.0238 -2.0186 1.0304 1.0370 1.3974 1.4295 1.5044 1.5558 1.6508 1.7050 2.1716 2.2175 2.5421 2.5876 2.6265 2.6575 2.7866 2.8504 2.8889 2.9905 3.0892 3.0955 3.1155 3.1596 4.0524 4.0637 4.0950 4.1240 4.2336 4.2484 4.2873 4.2969 4.5122 4.6349 4.7838 4.8133 4.8624 4.8657 5.0099 5.0161 5.0977 5.1126 5.5106 5.5584 6.0289 6.0686 6.1542 6.1591 6.4262 6.4410 6.7637 6.7982 6.9043 6.9158 8.1802 8.2196 9.1971 9.2160 9.6836 9.6872 10.4617 10.4896 k =-0.2694 0.3773 0.6162 ( 6173 PWs) bands (ev): -7.8374 -7.8369 -7.1842 -7.1801 -7.1241 -7.1226 -6.8269 -6.8203 -2.0212 -2.0157 1.0579 1.0642 1.4026 1.4356 1.5383 1.5981 1.6348 1.7026 2.1233 2.1701 2.5391 2.5847 2.6115 2.6440 2.7877 2.8509 2.8910 2.9961 3.0901 3.0976 3.1167 3.1592 4.0483 4.0623 4.1013 4.1186 4.2282 4.2495 4.2873 4.2967 4.5220 4.6481 4.7861 4.8006 4.8589 4.8774 5.0037 5.0104 5.0904 5.1050 5.5021 5.5515 6.0144 6.0509 6.1420 6.1503 6.4193 6.4314 6.7580 6.7934 6.9170 6.9265 8.1969 8.2361 9.1777 9.1950 9.6680 9.6747 10.4909 10.5171 k =-0.2782 0.3897 0.6010 ( 6173 PWs) bands (ev): -7.8402 -7.8397 -7.1861 -7.1820 -7.1262 -7.1249 -6.8205 -6.8138 -2.0190 -2.0133 1.0824 1.0884 1.4053 1.4395 1.5637 1.6150 1.6462 1.7147 2.0746 2.1217 2.5370 2.5819 2.5987 2.6319 2.7888 2.8512 2.8929 3.0008 3.0908 3.0999 3.1180 3.1589 4.0447 4.0609 4.1057 4.1160 4.2231 4.2506 4.2873 4.2966 4.5310 4.6610 4.7827 4.7874 4.8614 4.8919 4.9964 5.0037 5.0844 5.0973 5.4961 5.5465 6.0017 6.0353 6.1322 6.1433 6.4138 6.4233 6.7532 6.7892 6.9281 6.9359 8.2094 8.2483 9.1617 9.1769 9.6557 9.6651 10.5187 10.5437 k =-0.2871 0.4021 0.5857 ( 6168 PWs) bands (ev): -7.8425 -7.8419 -7.1875 -7.1834 -7.1278 -7.1267 -6.8154 -6.8087 -2.0172 -2.0115 1.1030 1.1088 1.4064 1.4421 1.5743 1.6047 1.6881 1.7432 2.0267 2.0730 2.5359 2.5774 2.5904 2.6213 2.7897 2.8513 2.8946 3.0045 3.0915 3.1019 3.1191 3.1586 4.0418 4.0596 4.1061 4.1181 4.2184 4.2514 4.2874 4.2966 4.5387 4.6737 4.7683 4.7818 4.8687 4.9073 4.9871 4.9969 5.0799 5.0901 5.4922 5.5433 5.9914 6.0222 6.1248 6.1379 6.4098 6.4169 6.7494 6.7859 6.9371 6.9436 8.2183 8.2567 9.1493 9.1622 9.6464 9.6580 10.5436 10.5677 k =-0.2960 0.4145 0.5704 ( 6162 PWs) bands (ev): -7.8441 -7.8435 -7.1886 -7.1845 -7.1289 -7.1279 -6.8118 -6.8050 -2.0160 -2.0101 1.1188 1.1244 1.4067 1.4439 1.5741 1.5974 1.7316 1.7799 1.9820 2.0253 2.5360 2.5703 2.5880 2.6127 2.7904 2.8514 2.8958 3.0071 3.0920 3.1034 3.1199 3.1583 4.0397 4.0585 4.1046 4.1219 4.2146 4.2521 4.2876 4.2966 4.5448 4.6862 4.7530 4.7770 4.8781 4.9226 4.9761 4.9906 5.0767 5.0840 5.4898 5.5413 5.9837 6.0124 6.1196 6.1340 6.4073 6.4120 6.7467 6.7834 6.9439 6.9493 8.2240 8.2621 9.1407 9.1513 9.6399 9.6530 10.5638 10.5873 k =-0.3049 0.4270 0.5552 ( 6162 PWs) bands (ev): -7.8450 -7.8445 -7.1892 -7.1851 -7.1296 -7.1287 -6.8096 -6.8028 -2.0153 -2.0093 1.1287 1.1343 1.4066 1.4450 1.5708 1.5935 1.7717 1.8117 1.9480 1.9823 2.5369 2.5643 2.5884 2.6066 2.7908 2.8514 2.8966 3.0086 3.0924 3.1044 3.1205 3.1582 4.0383 4.0578 4.1036 4.1248 4.2120 4.2524 4.2876 4.2966 4.5486 4.6978 4.7394 4.7734 4.8861 4.9367 4.9644 4.9855 5.0748 5.0799 5.4886 5.5403 5.9791 6.0062 6.1165 6.1316 6.4062 6.4086 6.7450 6.7818 6.9480 6.9528 8.2272 8.2651 9.1357 9.1446 9.6361 9.6501 10.5770 10.6003 k =-0.3137 0.4394 0.5399 ( 6168 PWs) bands (ev): -7.8454 -7.8448 -7.1894 -7.1853 -7.1298 -7.1290 -6.8088 -6.8020 -2.0150 -2.0091 1.1321 1.1378 1.4065 1.4453 1.5692 1.5922 1.7926 1.8224 1.9385 1.9587 2.5374 2.5619 2.5890 2.6042 2.7909 2.8514 2.8968 3.0091 3.0925 3.1048 3.1206 3.1581 4.0379 4.0575 4.1032 4.1258 4.2111 4.2525 4.2877 4.2966 4.5500 4.7040 4.7325 4.7721 4.8893 4.9463 4.9556 4.9833 5.0743 5.0784 5.4882 5.5400 5.9775 6.0041 6.1154 6.1309 6.4061 6.4073 6.7444 6.7813 6.9494 6.9540 8.2282 8.2660 9.1341 9.1423 9.6348 9.6491 10.5817 10.6049 k =-0.3137 0.4394 0.5399 ( 6168 PWs) bands (ev): -7.8454 -7.8448 -7.1894 -7.1853 -7.1298 -7.1290 -6.8088 -6.8020 -2.0150 -2.0091 1.1321 1.1378 1.4065 1.4453 1.5692 1.5922 1.7926 1.8224 1.9385 1.9587 2.5374 2.5619 2.5890 2.6042 2.7909 2.8514 2.8968 3.0091 3.0925 3.1048 3.1206 3.1581 4.0379 4.0575 4.1032 4.1258 4.2111 4.2525 4.2877 4.2966 4.5500 4.7040 4.7325 4.7721 4.8893 4.9463 4.9556 4.9833 5.0743 5.0784 5.4882 5.5400 5.9775 6.0041 6.1154 6.1309 6.4061 6.4073 6.7444 6.7813 6.9494 6.9540 8.2282 8.2660 9.1341 9.1423 9.6348 9.6491 10.5817 10.6049 k =-0.3050 0.4272 0.5249 ( 6152 PWs) bands (ev): -7.8457 -7.8452 -7.1754 -7.1711 -7.1420 -7.1410 -6.8083 -6.8013 -2.0152 -2.0093 1.1082 1.1146 1.4193 1.4780 1.5508 1.6031 1.8051 1.8293 1.9214 1.9445 2.5158 2.5392 2.5724 2.5884 2.7958 2.8615 2.8968 3.0086 3.0881 3.0957 3.1099 3.1456 4.0401 4.0610 4.1063 4.1352 4.2113 4.2588 4.2974 4.3030 4.5526 4.6938 4.7507 4.7828 4.9191 4.9376 4.9406 4.9985 5.0676 5.0714 5.4738 5.5268 5.9965 6.0185 6.1217 6.1404 6.4031 6.4051 6.7380 6.7747 6.9550 6.9589 8.2247 8.2617 9.1586 9.1687 9.6477 9.6605 10.6961 10.7144 k =-0.2963 0.4150 0.5099 ( 6159 PWs) bands (ev): -7.8482 -7.8477 -7.1614 -7.1568 -7.1517 -7.1503 -6.8078 -6.8007 -2.0167 -2.0109 1.0859 1.0932 1.4225 1.4921 1.5526 1.6239 1.8177 1.8398 1.9041 1.9322 2.4907 2.5143 2.5571 2.5725 2.8005 2.8685 2.9000 3.0072 3.0852 3.0875 3.0997 3.1337 4.0428 4.0643 4.1038 4.1495 4.2109 4.2651 4.3008 4.3155 4.5529 4.6796 4.7684 4.7929 4.9174 4.9341 4.9535 5.0193 5.0593 5.0697 5.4591 5.5132 6.0151 6.0312 6.1272 6.1495 6.4023 6.4047 6.7287 6.7645 6.9584 6.9618 8.2235 8.2593 9.1844 9.1962 9.6574 9.6689 10.7997 10.8124 k =-0.2876 0.4028 0.4949 ( 6157 PWs) bands (ev): -7.8529 -7.8525 -7.1588 -7.1581 -7.1460 -7.1420 -6.8073 -6.8001 -2.0196 -2.0138 1.0656 1.0738 1.4180 1.4807 1.5810 1.6525 1.8283 1.8540 1.8867 1.9242 2.4636 2.4883 2.5424 2.5560 2.8048 2.8711 2.9074 3.0049 3.0800 3.0834 3.0903 3.1230 4.0460 4.0676 4.1001 4.1642 4.2099 4.2716 4.3043 4.3276 4.5504 4.6618 4.7853 4.8028 4.9007 4.9340 4.9850 5.0393 5.0529 5.0703 5.4444 5.4993 6.0332 6.0421 6.1319 6.1582 6.4038 6.4065 6.7170 6.7509 6.9595 6.9624 8.2247 8.2591 9.2113 9.2243 9.6652 9.6756 10.8848 10.8909 k =-0.2789 0.3906 0.4799 ( 6157 PWs) bands (ev): -7.8599 -7.8595 -7.1629 -7.1620 -7.1315 -7.1272 -6.8069 -6.7995 -2.0238 -2.0182 1.0471 1.0564 1.4089 1.4625 1.6169 1.6857 1.8340 1.8696 1.8717 1.9241 2.4355 2.4616 2.5278 2.5391 2.8085 2.8707 2.9167 3.0015 3.0726 3.0811 3.0824 3.1148 4.0496 4.0710 4.0961 4.1784 4.2086 4.2783 4.3081 4.3384 4.5451 4.6413 4.8014 4.8126 4.8890 4.9358 5.0157 5.0493 5.0503 5.0799 5.4298 5.4851 6.0506 6.0508 6.1357 6.1664 6.4078 6.4105 6.7032 6.7341 6.9583 6.9609 8.2286 8.2613 9.2390 9.2530 9.6724 9.6818 10.9418 10.9431 k =-0.2702 0.3784 0.4649 ( 6151 PWs) bands (ev): -7.8691 -7.8688 -7.1643 -7.1632 -7.1167 -7.1122 -6.8064 -6.7991 -2.0294 -2.0239 1.0308 1.0410 1.3972 1.4438 1.6527 1.7202 1.8331 1.8541 1.8927 1.9344 2.4070 2.4348 2.5135 2.5219 2.8116 2.8691 2.9259 2.9973 3.0643 3.0757 3.0772 3.1112 4.0535 4.0744 4.0922 4.1918 4.2069 4.2850 4.3123 4.3476 4.5367 4.6190 4.8167 4.8225 4.8828 4.9395 5.0331 5.0499 5.0595 5.0997 5.4156 5.4707 6.0569 6.0668 6.1388 6.1743 6.4143 6.4168 6.6880 6.7148 6.9549 6.9575 8.2350 8.2659 9.2672 9.2818 9.6802 9.6885 10.9620 10.9699 k =-0.2614 0.3662 0.4499 ( 6151 PWs) bands (ev): -7.8806 -7.8803 -7.1629 -7.1617 -7.1017 -7.0972 -6.8061 -6.7986 -2.0363 -2.0310 1.0166 1.0278 1.3843 1.4259 1.6848 1.7512 1.8293 1.8433 1.9172 1.9536 2.3787 2.4080 2.4993 2.5046 2.8142 2.8670 2.9338 2.9925 3.0551 3.0666 3.0749 3.1124 4.0574 4.0780 4.0885 4.2043 4.2048 4.2917 4.3167 4.3549 4.5258 4.5957 4.8311 4.8322 4.8819 4.9440 5.0329 5.0452 5.0874 5.1218 5.4021 5.4563 6.0597 6.0810 6.1418 6.1819 6.4234 6.4254 6.6723 6.6935 6.9496 6.9523 8.2439 8.2730 9.2957 9.3106 9.6894 9.6967 10.9534 10.9660 k =-0.2527 0.3540 0.4349 ( 6151 PWs) bands (ev): -7.8941 -7.8939 -7.1588 -7.1575 -7.0867 -7.0821 -6.8058 -6.7983 -2.0445 -2.0394 1.0046 1.0168 1.3712 1.4093 1.7085 1.7680 1.8292 1.8466 1.9452 1.9790 2.3511 2.3818 2.4856 2.4874 2.8162 2.8646 2.9399 2.9872 3.0454 3.0550 3.0753 3.1167 4.0611 4.0818 4.0854 4.2026 4.2157 4.2983 4.3213 4.3600 4.5128 4.5721 4.8418 4.8448 4.8858 4.9479 5.0314 5.0384 5.1168 5.1430 5.3899 5.4423 6.0588 6.0912 6.1462 6.1897 6.4351 6.4363 6.6569 6.6713 6.9428 6.9459 8.2551 8.2822 9.3241 9.3388 9.7007 9.7071 10.9201 10.9353 k =-0.2440 0.3417 0.4199 ( 6143 PWs) bands (ev): -7.9094 -7.9093 -7.1523 -7.1509 -7.0717 -7.0670 -6.8055 -6.7980 -2.0539 -2.0491 0.9949 1.0079 1.3584 1.3943 1.7182 1.7643 1.8394 1.8697 1.9766 2.0089 2.3246 2.3563 2.4704 2.4722 2.8179 2.8623 2.9439 2.9817 3.0355 3.0423 3.0779 3.1226 4.0638 4.0836 4.0857 4.2001 4.2259 4.3049 4.3260 4.3627 4.4989 4.5489 4.8512 4.8581 4.8934 4.9493 5.0299 5.0324 5.1442 5.1615 5.3801 5.4292 6.0537 6.0953 6.1539 6.1978 6.4494 6.4497 6.6425 6.6489 6.9349 6.9386 8.2682 8.2932 9.3520 9.3664 9.7145 9.7201 10.8663 10.8827 k =-0.2353 0.3295 0.4049 ( 6149 PWs) bands (ev): -7.9263 -7.9262 -7.1435 -7.1420 -7.0566 -7.0519 -6.8053 -6.7978 -2.0644 -2.0599 0.9875 1.0014 1.3463 1.3808 1.7141 1.7501 1.8598 1.9015 2.0114 2.0422 2.3000 2.3321 2.4537 2.4593 2.8192 2.8599 2.9459 2.9760 3.0253 3.0288 3.0825 3.1292 4.0646 4.0840 4.0895 4.1973 4.2350 4.3112 4.3306 4.3628 4.4847 4.5264 4.8601 4.8708 4.9038 4.9464 5.0200 5.0376 5.1682 5.1756 5.3738 5.4177 6.0442 6.0923 6.1655 6.2064 6.4653 6.4665 6.6273 6.6299 6.9265 6.9311 8.2826 8.3057 9.3793 9.3928 9.7311 9.7360 10.7962 10.8129 k =-0.2266 0.3173 0.3899 ( 6157 PWs) bands (ev): -7.9446 -7.9445 -7.1327 -7.1312 -7.0417 -7.0370 -6.8051 -6.7976 -2.0760 -2.0717 0.9824 0.9971 1.3351 1.3691 1.7018 1.7324 1.8844 1.9346 2.0492 2.0784 2.2782 2.3099 2.4374 2.4469 2.8204 2.8577 2.9464 2.9702 3.0148 3.0150 3.0885 3.1362 4.0632 4.0868 4.0936 4.1944 4.2429 4.3173 4.3351 4.3601 4.4712 4.5049 4.8686 4.8821 4.9161 4.9387 5.0093 5.0471 5.1836 5.1871 5.3723 5.4091 6.0304 6.0833 6.1797 6.2156 6.4833 6.4861 6.6075 6.6196 6.9183 6.9241 8.2978 8.3189 9.4055 9.4180 9.7505 9.7548 10.7136 10.7302 k =-0.2179 0.3051 0.3749 ( 6165 PWs) bands (ev): -7.9639 -7.9638 -7.1202 -7.1187 -7.0269 -7.0222 -6.8049 -6.7975 -2.0885 -2.0845 0.9798 0.9951 1.3251 1.3591 1.6854 1.7133 1.9081 1.9659 2.0894 2.1169 2.2603 2.2905 2.4214 2.4351 2.8213 2.8556 2.9456 2.9645 3.0006 3.0048 3.0955 3.1433 4.0606 4.0910 4.0977 4.1913 4.2494 4.3232 4.3393 4.3549 4.4591 4.4847 4.8760 4.8913 4.9269 4.9282 4.9998 5.0604 5.1851 5.1994 5.3764 5.4048 6.0128 6.0696 6.1954 6.2254 6.5035 6.5080 6.5901 6.6119 6.9108 6.9181 8.3131 8.3323 9.4305 9.4418 9.7724 9.7765 10.6217 10.6376 k =-0.2092 0.2929 0.3599 ( 6157 PWs) bands (ev): -7.9840 -7.9840 -7.1063 -7.1047 -7.0123 -7.0075 -6.8048 -6.7975 -2.1019 -2.0981 0.9795 0.9954 1.3164 1.3509 1.6669 1.6937 1.9278 1.9938 2.1309 2.1567 2.2480 2.2755 2.4061 2.4238 2.8222 2.8536 2.9441 2.9589 2.9863 2.9946 3.1032 3.1504 4.0575 4.0961 4.1019 4.1881 4.2546 4.3288 4.3419 4.3483 4.4486 4.4660 4.8815 4.8977 4.9122 4.9345 4.9968 5.0766 5.1806 5.2040 5.3856 5.4059 5.9921 6.0521 6.2117 6.2359 6.5253 6.5320 6.5763 6.6074 6.9048 6.9140 8.3277 8.3450 9.4543 9.4640 9.7965 9.8006 10.5233 10.5380 k =-0.2004 0.2807 0.3449 ( 6169 PWs) bands (ev): -8.0046 -8.0046 -7.0911 -7.0895 -6.9979 -6.9932 -6.8048 -6.7975 -2.1159 -2.1125 0.9816 0.9981 1.3091 1.3446 1.6474 1.6740 1.9412 2.0162 2.1723 2.1961 2.2440 2.2671 2.3914 2.4132 2.8232 2.8518 2.9420 2.9531 2.9721 2.9848 3.1113 3.1572 4.0541 4.1015 4.1060 4.1846 4.2582 4.3341 4.3353 4.3485 4.4395 4.4488 4.8809 4.8991 4.9007 4.9284 5.0065 5.0950 5.1721 5.2012 5.3983 5.4123 5.9690 6.0315 6.2282 6.2467 6.5448 6.5567 6.5699 6.6070 6.9009 6.9122 8.3406 8.3561 9.4767 9.4848 9.8217 9.8266 10.4213 10.4339 k =-0.1917 0.2685 0.3299 ( 6155 PWs) bands (ev): -8.0256 -8.0256 -7.0751 -7.0734 -6.9837 -6.9790 -6.8048 -6.7976 -2.1306 -2.1274 0.9862 1.0029 1.3032 1.3401 1.6275 1.6543 1.9470 2.0313 2.2104 2.2261 2.2567 2.2690 2.3780 2.4036 2.8242 2.8501 2.9396 2.9469 2.9588 2.9754 3.1195 3.1640 4.0508 4.1071 4.1100 4.1812 4.2604 4.3243 4.3390 4.3514 4.4316 4.4334 4.8650 4.8965 4.8995 4.9128 5.0259 5.1150 5.1618 5.1927 5.4131 5.4229 5.9443 6.0086 6.2448 6.2580 6.5472 6.5777 6.5858 6.6150 6.8995 6.9133 8.3507 8.3646 9.4978 9.5043 9.8465 9.8534 10.3187 10.3277 k =-0.1830 0.2563 0.3149 ( 6147 PWs) bands (ev): -8.0467 -8.0467 -7.0582 -7.0566 -6.9699 -6.9652 -6.8048 -6.7978 -2.1457 -2.1428 0.9931 1.0100 1.2989 1.3375 1.6075 1.6349 1.9453 2.0379 2.2399 2.2404 2.2845 2.2906 2.3683 2.3961 2.8253 2.8485 2.9371 2.9385 2.9484 2.9670 3.1277 3.1705 4.0476 4.1128 4.1138 4.1777 4.2609 4.3124 4.3436 4.3541 4.4198 4.4243 4.8419 4.8889 4.8961 4.8968 5.0498 5.1356 5.1520 5.1816 5.4288 5.4358 5.9189 5.9841 6.2614 6.2696 6.5427 6.5886 6.6135 6.6372 6.9011 6.9176 8.3569 8.3694 9.5180 9.5229 9.8670 9.8787 10.2201 10.2227 k =-0.1743 0.2441 0.2999 ( 6149 PWs) bands (ev): -8.0677 -8.0676 -7.0409 -7.0393 -6.9564 -6.9518 -6.8048 -6.7980 -2.1612 -2.1585 1.0023 1.0193 1.2961 1.3367 1.5877 1.6161 1.9374 2.0367 2.2531 2.2618 2.3026 2.3254 2.3706 2.3943 2.8267 2.8469 2.9272 2.9344 2.9418 2.9600 3.1358 3.1769 4.0445 4.1174 4.1186 4.1742 4.2599 4.3002 4.3478 4.3562 4.4079 4.4173 4.8157 4.8655 4.8853 4.8933 5.0753 5.1448 5.1511 5.1755 5.4446 5.4498 5.8933 5.9587 6.2777 6.2813 6.5392 6.5941 6.6446 6.6687 6.9060 6.9255 8.3582 8.3695 9.5375 9.5412 9.8743 9.8958 10.1262 10.1354 k =-0.1656 0.2319 0.2849 ( 6135 PWs) bands (ev): -8.0884 -8.0884 -7.0233 -7.0217 -6.9433 -6.9388 -6.8049 -6.7982 -2.1769 -2.1745 1.0138 1.0306 1.2949 1.3376 1.5685 1.5979 1.9250 2.0296 2.2659 2.2822 2.3032 2.3464 2.3956 2.4085 2.8284 2.8453 2.9159 2.9315 2.9370 2.9553 3.1438 3.1830 4.0418 4.1205 4.1243 4.1710 4.2575 4.2885 4.3515 4.3577 4.3977 4.4103 4.7875 4.8389 4.8693 4.8863 5.0989 5.1441 5.1468 5.1913 5.4601 5.4640 5.8681 5.9329 6.2931 6.2937 6.5380 6.5990 6.6780 6.7044 6.9143 6.9370 8.3534 8.3638 9.5565 9.5597 9.8492 9.8832 10.0603 10.0844 k =-0.1569 0.2197 0.2699 ( 6145 PWs) bands (ev): -8.1088 -8.1087 -7.0055 -7.0039 -6.9306 -6.9262 -6.8050 -6.7985 -2.1926 -2.1905 1.0275 1.0438 1.2952 1.3402 1.5499 1.5805 1.9098 2.0189 2.2758 2.2919 2.3023 2.3518 2.4330 2.4406 2.8304 2.8436 2.9062 2.9281 2.9330 2.9536 3.1516 3.1890 4.0394 4.1230 4.1299 4.1680 4.2539 4.2773 4.3546 4.3585 4.3890 4.4031 4.7576 4.8106 4.8484 4.8745 5.1129 5.1371 5.1572 5.2157 5.4749 5.4778 5.8437 5.9072 6.3047 6.3088 6.5390 6.6046 6.7130 6.7425 6.9262 6.9522 8.3415 8.3514 9.5746 9.5790 9.7843 9.8174 10.0487 10.0757 k =-0.1481 0.2075 0.2550 ( 6137 PWs) bands (ev): -8.1286 -8.1286 -6.9878 -6.9862 -6.9184 -6.9141 -6.8052 -6.7989 -2.2083 -2.2064 1.0434 1.0589 1.2970 1.3443 1.5324 1.5642 1.8931 2.0065 2.2762 2.2793 2.3206 2.3546 2.4734 2.4784 2.8327 2.8418 2.8991 2.9246 2.9298 2.9555 3.1594 3.1949 4.0374 4.1249 4.1356 4.1656 4.2493 4.2670 4.3571 4.3586 4.3817 4.3957 4.7267 4.7811 4.8233 4.8575 5.1177 5.1294 5.1834 5.2424 5.4890 5.4910 5.8205 5.8822 6.3160 6.3231 6.5426 6.6115 6.7495 6.7824 6.9415 6.9709 8.3219 8.3315 9.5877 9.5997 9.7026 9.7232 10.0667 10.0907 k =-0.1394 0.1953 0.2400 ( 6133 PWs) bands (ev): -8.1478 -8.1478 -6.9702 -6.9688 -6.9066 -6.9024 -6.8053 -6.7992 -2.2239 -2.2222 1.0611 1.0755 1.3003 1.3497 1.5161 1.5492 1.8758 1.9936 2.2583 2.2752 2.3356 2.3593 2.5136 2.5165 2.8350 2.8401 2.8957 2.9210 2.9277 2.9614 3.1671 3.2007 4.0359 4.1258 4.1411 4.1640 4.2440 4.2575 4.3581 4.3590 4.3754 4.3879 4.6951 4.7509 4.7949 4.8356 5.1204 5.1246 5.2145 5.2703 5.5025 5.5034 5.7985 5.8580 6.3268 6.3359 6.5491 6.6200 6.7870 6.8235 6.9601 6.9929 8.2942 8.3039 9.5623 9.6179 9.6259 9.6528 10.0930 10.1141 k =-0.1307 0.1831 0.2250 ( 6145 PWs) bands (ev): -8.1663 -8.1662 -6.9530 -6.9516 -6.8954 -6.8914 -6.8055 -6.7996 -2.2392 -2.2377 1.0807 1.0935 1.3049 1.3560 1.5015 1.5358 1.8588 1.9808 2.2386 2.2649 2.3459 2.3645 2.5522 2.5532 2.8367 2.8383 2.8962 2.9177 2.9277 2.9716 3.1746 3.2064 4.0348 4.1257 4.1465 4.1633 4.2383 4.2490 4.3568 4.3600 4.3699 4.3796 4.6633 4.7204 4.7642 4.8096 5.1226 5.1234 5.2476 5.2990 5.5151 5.5152 5.7780 5.8347 6.3368 6.3470 6.5588 6.6305 6.8254 6.8652 6.9817 7.0178 8.2582 8.2684 9.4788 9.5195 9.6463 9.6608 10.1209 10.1393 k =-0.1220 0.1709 0.2100 ( 6145 PWs) bands (ev): -8.1839 -8.1838 -6.9363 -6.9350 -6.8848 -6.8809 -6.8057 -6.8000 -2.2540 -2.2528 1.1018 1.1124 1.3108 1.3629 1.4890 1.5242 1.8425 1.9689 2.2174 2.2503 2.3504 2.3675 2.5879 2.5884 2.8367 2.8376 2.8992 2.9148 2.9323 2.9862 3.1822 3.2121 4.0345 4.1248 4.1518 4.1636 4.2323 4.2413 4.3549 4.3603 4.3650 4.3709 4.6318 4.6900 4.7321 4.7805 5.1230 5.1270 5.2816 5.3285 5.5261 5.5273 5.7589 5.8127 6.3457 6.3559 6.5723 6.6433 6.8643 6.9069 7.0064 7.0451 8.2143 8.2253 9.3848 9.4194 9.6715 9.6812 10.1476 10.1631 k =-0.1133 0.1587 0.1950 ( 6149 PWs) bands (ev): -8.2006 -8.2005 -6.9202 -6.9189 -6.8747 -6.8710 -6.8059 -6.8005 -2.2684 -2.2673 1.1242 1.1320 1.3178 1.3698 1.4793 1.5149 1.8275 1.9582 2.1948 2.2326 2.3487 2.3669 2.6202 2.6219 2.8354 2.8378 2.9014 2.9121 2.9447 3.0051 3.1897 3.2178 4.0348 4.1234 4.1569 4.1645 4.2264 4.2345 4.3525 4.3592 4.3609 4.3616 4.6010 4.6603 4.6995 4.7493 5.1251 5.1311 5.3160 5.3583 5.5364 5.5387 5.7413 5.7920 6.3532 6.3625 6.5899 6.6590 6.9032 6.9481 7.0337 7.0745 8.1630 8.1750 9.2913 9.3224 9.6968 9.7033 10.1718 10.1827 k =-0.1046 0.1465 0.1800 ( 6151 PWs) bands (ev): -8.2163 -8.2162 -6.9048 -6.9036 -6.8653 -6.8617 -6.8060 -6.8009 -2.2821 -2.2812 1.1473 1.1516 1.3258 1.3759 1.4733 1.5083 1.8142 1.9490 2.1706 2.2124 2.3410 2.3619 2.6500 2.6524 2.8342 2.8377 2.9016 2.9097 2.9650 3.0278 3.1972 3.2234 4.0359 4.1218 4.1618 4.1659 4.2207 4.2285 4.3494 4.3521 4.3559 4.3584 4.5716 4.6316 4.6671 4.7170 5.1283 5.1354 5.3502 5.3881 5.5462 5.5497 5.7252 5.7725 6.3591 6.3666 6.6119 6.6780 6.9420 6.9879 7.0636 7.1052 8.1052 8.1183 9.2008 9.2292 9.7210 9.7240 10.1919 10.1948 k =-0.0959 0.1343 0.1650 ( 6151 PWs) bands (ev): -8.2309 -8.2309 -6.8902 -6.8891 -6.8565 -6.8530 -6.8062 -6.8013 -2.2951 -2.2943 1.1706 1.1708 1.3346 1.3806 1.4716 1.5049 1.8030 1.9414 2.1449 2.1899 2.3276 2.3525 2.6775 2.6801 2.8333 2.8377 2.9009 2.9075 2.9910 3.0533 3.2047 3.2291 4.0380 4.1204 4.1665 4.1675 4.2154 4.2231 4.3408 4.3471 4.3518 4.3555 4.5440 4.6044 4.6353 4.6843 5.1322 5.1397 5.3839 5.4178 5.5554 5.5601 5.7106 5.7544 6.3634 6.3685 6.6382 6.7006 6.9802 7.0257 7.0957 7.1367 8.0416 8.0560 9.1144 9.1405 9.7409 9.7420 10.1947 10.2051 k =-0.0871 0.1221 0.1500 ( 6151 PWs) bands (ev): -8.2445 -8.2445 -6.8766 -6.8756 -6.8483 -6.8451 -6.8064 -6.8018 -2.3074 -2.3067 1.1887 1.1934 1.3440 1.3840 1.4743 1.5051 1.7945 1.9356 2.1178 2.1655 2.3096 2.3390 2.7027 2.7049 2.8327 2.8378 2.8998 2.9054 3.0206 3.0806 3.2122 3.2347 4.0409 4.1196 4.1691 4.1707 4.2107 4.2183 4.3295 4.3443 4.3468 4.3521 4.5189 4.5790 4.6046 4.6519 5.1366 5.1439 5.4167 5.4468 5.5641 5.5700 5.6975 5.7377 6.3659 6.3685 6.6689 6.7271 7.0173 7.0610 7.1295 7.1685 7.9733 7.9891 9.0329 9.0569 9.7518 9.7574 10.1833 10.2043 k =-0.0784 0.1098 0.1350 ( 6149 PWs) bands (ev): -8.2569 -8.2569 -6.8640 -6.8632 -6.8408 -6.8378 -6.8065 -6.8022 -2.3187 -2.3181 1.2049 1.2143 1.3539 1.3873 1.4809 1.5094 1.7890 1.9317 2.0895 2.1392 2.2879 2.3221 2.7254 2.7270 2.8323 2.8381 2.8988 2.9037 3.0520 3.1084 3.2198 3.2402 4.0449 4.1197 4.1705 4.1743 4.2069 4.2138 4.3172 4.3396 4.3421 4.3492 4.4968 4.5558 4.5751 4.6203 5.1410 5.1479 5.4479 5.4748 5.5723 5.5795 5.6860 5.7224 6.3668 6.3671 6.7039 6.7578 7.0530 7.0937 7.1640 7.1998 7.9012 7.9184 8.9569 8.9788 9.7548 9.7651 10.1708 10.1896 k =-0.0697 0.0976 0.1200 ( 6145 PWs) bands (ev): -8.2681 -8.2681 -6.8525 -6.8519 -6.8339 -6.8312 -6.8066 -6.8026 -2.3290 -2.3286 1.2187 1.2323 1.3640 1.3918 1.4904 1.5181 1.7870 1.9295 2.0602 2.1114 2.2635 2.3024 2.7458 2.7463 2.8321 2.8387 2.8980 2.9021 3.0837 3.1357 3.2275 3.2457 4.0500 4.1209 4.1716 4.1770 4.2044 4.2095 4.3041 4.3295 4.3408 4.3473 4.4782 4.5352 4.5472 4.5901 5.1453 5.1517 5.4772 5.5012 5.5799 5.5885 5.6762 5.7085 6.3646 6.3663 6.7431 6.7928 7.0868 7.1238 7.1982 7.2301 7.8264 7.8450 8.8871 8.9068 9.7498 9.7638 10.1641 10.1769 k =-0.0610 0.0854 0.1050 ( 6151 PWs) bands (ev): -8.2780 -8.2780 -6.8423 -6.8419 -6.8277 -6.8253 -6.8067 -6.8029 -2.3383 -2.3380 1.2300 1.2462 1.3741 1.3986 1.5020 1.5309 1.7889 1.9289 2.0303 2.0822 2.2377 2.2807 2.7628 2.7637 2.8323 2.8396 2.8974 2.9008 3.1144 3.1610 3.2355 3.2511 4.0563 4.1232 4.1724 4.1782 4.2035 4.2051 4.2903 4.3166 4.3406 4.3464 4.4632 4.5171 4.5210 4.5614 5.1493 5.1550 5.5038 5.5254 5.5870 5.5971 5.6680 5.6961 6.3613 6.3644 6.7864 6.8321 7.1183 7.1513 7.2310 7.2586 7.7496 7.7698 8.8238 8.8414 9.7381 9.7542 10.1642 10.1720 k =-0.0523 0.0732 0.0900 ( 6153 PWs) bands (ev): -8.2867 -8.2867 -6.8335 -6.8332 -6.8220 -6.8201 -6.8068 -6.8033 -2.3465 -2.3462 1.2388 1.2556 1.3841 1.4075 1.5156 1.5472 1.7948 1.9295 2.0003 2.0521 2.2115 2.2577 2.7766 2.7788 2.8330 2.8407 2.8971 2.8997 3.1430 3.1832 3.2440 3.2565 4.0637 4.1269 4.1728 4.1781 4.2002 4.2042 4.2765 4.3012 4.3420 4.3467 4.4514 4.4960 4.5021 4.5349 5.1531 5.1580 5.5273 5.5468 5.5939 5.6052 5.6615 5.6853 6.3576 6.3617 6.8338 6.8756 7.1469 7.1760 7.2614 7.2848 7.6719 7.6936 8.7677 8.7830 9.7223 9.7388 10.1690 10.1739 k =-0.0436 0.0610 0.0750 ( 6149 PWs) bands (ev): -8.2941 -8.2941 -6.8264 -6.8257 -6.8170 -6.8156 -6.8067 -6.8036 -2.3535 -2.3533 1.2453 1.2610 1.3937 1.4169 1.5315 1.5659 1.8047 1.9303 1.9710 2.0217 2.1866 2.2342 2.7876 2.7909 2.8343 2.8421 2.8970 2.8988 3.1685 3.2010 3.2534 3.2620 4.0724 4.1321 4.1729 4.1770 4.1945 4.2061 4.2634 4.2843 4.3452 4.3485 4.4421 4.4730 4.4893 4.5111 5.1564 5.1604 5.5470 5.5640 5.6012 5.6130 5.6569 5.6762 6.3541 6.3585 6.8850 6.9232 7.1720 7.1976 7.2885 7.3079 7.5942 7.6175 8.7192 8.7322 9.7052 9.7205 10.1758 10.1792 k =-0.0349 0.0488 0.0600 ( 6149 PWs) bands (ev): -8.3002 -8.3002 -6.8209 -6.8197 -6.8126 -6.8119 -6.8064 -6.8038 -2.3593 -2.3592 1.2501 1.2634 1.4028 1.4250 1.5497 1.5853 1.8182 1.9303 1.9438 1.9916 2.1645 2.2110 2.7960 2.7999 2.8363 2.8436 2.8972 2.8984 3.1899 3.2141 3.2632 3.2676 4.0823 4.1384 4.1728 4.1755 4.1876 4.2085 4.2518 4.2666 4.3501 4.3519 4.4337 4.4517 4.4790 4.4906 5.1592 5.1624 5.5624 5.5761 5.6094 5.6203 5.6540 5.6687 6.3508 6.3551 6.9400 6.9746 7.1930 7.2157 7.3115 7.3274 7.5176 7.5424 8.6789 8.6894 9.6890 9.7021 10.1826 10.1852 k =-0.0261 0.0366 0.0450 ( 6137 PWs) bands (ev): -8.3050 -8.3050 -6.8169 -6.8152 -6.8096 -6.8087 -6.8055 -6.8038 -2.3639 -2.3638 1.2536 1.2639 1.4112 1.4304 1.5696 1.6031 1.8345 1.9196 1.9287 1.9630 2.1474 2.1890 2.8021 2.8057 2.8390 2.8450 2.8975 2.8981 3.2067 3.2227 3.2724 3.2734 4.0933 4.1449 4.1727 4.1741 4.1802 4.2108 4.2424 4.2493 4.3571 4.3574 4.4249 4.4323 4.4709 4.4749 5.1614 5.1639 5.5735 5.5830 5.6183 5.6269 5.6526 5.6630 6.3482 6.3519 6.9984 7.0291 7.2090 7.2296 7.3288 7.3424 7.4444 7.4700 8.6473 8.6553 9.6754 9.6857 10.1880 10.1900 k =-0.0174 0.0244 0.0300 ( 6139 PWs) bands (ev): -8.3084 -8.3084 -6.8141 -6.8124 -6.8083 -6.8066 -6.8039 -6.8034 -2.3672 -2.3671 1.2563 1.2632 1.4186 1.4327 1.5896 1.6164 1.8525 1.9020 1.9229 1.9376 2.1372 2.1690 2.8063 2.8090 2.8418 2.8460 2.8978 2.8981 3.2185 3.2278 3.2788 3.2797 4.1053 4.1478 4.1717 4.1729 4.1772 4.2114 4.2341 4.2353 4.3645 4.3661 4.4141 4.4148 4.4648 4.4648 5.1632 5.1648 5.5808 5.5864 5.6263 5.6321 5.6524 5.6589 6.3464 6.3491 7.0594 7.0856 7.2184 7.2375 7.3338 7.3505 7.3840 7.4044 8.6248 8.6301 9.6655 9.6725 10.1916 10.1930 k =-0.0087 0.0122 0.0150 ( 6147 PWs) bands (ev): -8.3104 -8.3104 -6.8122 -6.8112 -6.8074 -6.8061 -6.8026 -6.8025 -2.3691 -2.3691 1.2585 1.2620 1.4248 1.4323 1.6071 1.6222 1.8704 1.8917 1.9141 1.9180 2.1350 2.1524 2.8089 2.8103 2.8442 2.8463 2.8980 2.8981 3.2258 3.2300 3.2830 3.2840 4.1179 4.1418 4.1710 4.1719 4.1830 4.2058 4.2263 4.2301 4.3739 4.3767 4.3991 4.4017 4.4599 4.4607 5.1644 5.1652 5.5851 5.5876 5.6320 5.6349 5.6531 5.6561 6.3456 6.3470 7.1214 7.1404 7.2171 7.2304 7.3075 7.3320 7.3672 7.3709 8.6116 8.6143 9.6600 9.6636 10.1937 10.1944 k = 0.0000 0.0000 0.0000 ( 6163 PWs) bands (ev): -8.3111 -8.3111 -6.8113 -6.8113 -6.8066 -6.8066 -6.8021 -6.8021 -2.3698 -2.3698 1.2604 1.2604 1.4295 1.4295 1.6189 1.6189 1.8843 1.8843 1.9090 1.9090 2.1405 2.1405 2.8102 2.8102 2.8457 2.8457 2.8981 2.8981 3.2294 3.2294 3.2850 3.2850 4.1306 4.1306 4.1712 4.1712 4.1940 4.1940 4.2267 4.2267 4.3850 4.3850 4.3892 4.3892 4.4589 4.4589 5.1650 5.1650 5.5871 5.5871 5.6348 5.6348 5.6542 5.6542 6.3457 6.3457 7.1718 7.1718 7.2034 7.2034 7.3022 7.3022 7.3683 7.3683 8.6081 8.6081 9.6594 9.6594 10.1946 10.1946 k = 0.0000 0.0000 0.0000 ( 6163 PWs) bands (ev): -8.3111 -8.3111 -6.8113 -6.8113 -6.8066 -6.8066 -6.8021 -6.8021 -2.3698 -2.3698 1.2604 1.2604 1.4295 1.4295 1.6189 1.6189 1.8843 1.8843 1.9090 1.9090 2.1405 2.1405 2.8102 2.8102 2.8457 2.8457 2.8981 2.8981 3.2294 3.2294 3.2850 3.2850 4.1306 4.1306 4.1712 4.1712 4.1940 4.1940 4.2267 4.2267 4.3850 4.3850 4.3892 4.3892 4.4589 4.4589 5.1650 5.1650 5.5871 5.5871 5.6348 5.6348 5.6542 5.6542 6.3457 6.3457 7.1718 7.1718 7.2034 7.2034 7.3022 7.3022 7.3683 7.3683 8.6081 8.6081 9.6594 9.6594 10.1946 10.1946 k = 0.0172 0.0123-0.0000 ( 6155 PWs) bands (ev): -8.3104 -8.3104 -6.8117 -6.8117 -6.8074 -6.8074 -6.8021 -6.8021 -2.3690 -2.3690 1.2585 1.2585 1.4324 1.4324 1.6151 1.6151 1.8850 1.8850 1.9094 1.9094 2.1457 2.1457 2.8098 2.8098 2.8458 2.8458 2.8968 2.8968 3.2296 3.2296 3.2853 3.2853 4.1308 4.1308 4.1712 4.1712 4.1935 4.1935 4.2272 4.2272 4.3855 4.3855 4.3893 4.3893 4.4591 4.4591 5.1633 5.1633 5.5875 5.5875 5.6352 5.6352 5.6544 5.6544 6.3451 6.3451 7.1476 7.1476 7.2083 7.2083 7.2984 7.2984 7.3901 7.3901 8.6088 8.6088 9.6593 9.6593 10.1926 10.1926 k = 0.0345 0.0246-0.0000 ( 6155 PWs) bands (ev): -8.3083 -8.3083 -6.8141 -6.8141 -6.8090 -6.8090 -6.8022 -6.8022 -2.3666 -2.3666 1.2533 1.2533 1.4405 1.4405 1.6047 1.6047 1.8869 1.8869 1.9106 1.9106 2.1608 2.1608 2.8085 2.8085 2.8461 2.8461 2.8932 2.8932 3.2301 3.2301 3.2862 3.2862 4.1317 4.1317 4.1710 4.1710 4.1920 4.1920 4.2287 4.2287 4.3867 4.3867 4.3900 4.3900 4.4597 4.4597 5.1583 5.1583 5.5884 5.5884 5.6360 5.6360 5.6550 5.6550 6.3433 6.3433 7.1029 7.1029 7.2069 7.2069 7.2891 7.2891 7.4417 7.4417 8.6110 8.6110 9.6592 9.6592 10.1865 10.1865 k = 0.0517 0.0369-0.0000 ( 6135 PWs) bands (ev): -8.3048 -8.3048 -6.8199 -6.8199 -6.8097 -6.8097 -6.8024 -6.8024 -2.3626 -2.3626 1.2460 1.2460 1.4509 1.4509 1.5906 1.5906 1.8898 1.8898 1.9126 1.9126 2.1844 2.1844 2.8061 2.8061 2.8467 2.8467 2.8874 2.8874 3.2310 3.2310 3.2877 3.2877 4.1331 4.1331 4.1707 4.1707 4.1896 4.1896 4.2311 4.2311 4.3884 4.3884 4.3913 4.3913 4.4608 4.4608 5.1502 5.1502 5.5900 5.5900 5.6373 5.6373 5.6559 5.6559 6.3402 6.3402 7.0544 7.0544 7.1977 7.1977 7.2752 7.2752 7.5071 7.5071 8.6145 8.6145 9.6589 9.6589 10.1758 10.1758 k = 0.0690 0.0492-0.0000 ( 6131 PWs) bands (ev): -8.3000 -8.3000 -6.8286 -6.8286 -6.8101 -6.8101 -6.8027 -6.8027 -2.3572 -2.3572 1.2381 1.2381 1.4589 1.4589 1.5781 1.5781 1.8935 1.8935 1.9155 1.9155 2.2148 2.2148 2.8020 2.8020 2.8473 2.8473 2.8800 2.8800 3.2321 3.2321 3.2897 3.2897 4.1349 4.1349 4.1703 4.1703 4.1863 4.1863 4.2344 4.2344 4.3898 4.3898 4.3939 4.3939 4.4622 4.4622 5.1394 5.1394 5.5922 5.5922 5.6392 5.6392 5.6572 5.6572 6.3360 6.3360 7.0071 7.0071 7.1828 7.1828 7.2566 7.2566 7.5793 7.5793 8.6194 8.6194 9.6586 9.6586 10.1594 10.1594 k = 0.0862 0.0616-0.0000 ( 6123 PWs) bands (ev): -8.2938 -8.2938 -6.8398 -6.8398 -6.8104 -6.8104 -6.8030 -6.8030 -2.3503 -2.3503 1.2304 1.2304 1.4573 1.4573 1.5749 1.5749 1.8979 1.8979 1.9192 1.9192 2.2502 2.2502 2.7955 2.7955 2.8481 2.8481 2.8720 2.8720 3.2336 3.2336 3.2923 3.2923 4.1373 4.1373 4.1693 4.1693 4.1825 4.1825 4.2385 4.2385 4.3910 4.3910 4.3976 4.3976 4.4640 4.4640 5.1261 5.1261 5.5947 5.5947 5.6413 5.6413 5.6587 5.6587 6.3304 6.3304 6.9629 6.9629 7.1634 7.1634 7.2336 7.2336 7.6552 7.6552 8.6258 8.6258 9.6582 9.6582 10.1366 10.1366 k = 0.1034 0.0739-0.0000 ( 6115 PWs) bands (ev): -8.2862 -8.2862 -6.8535 -6.8535 -6.8108 -6.8108 -6.8033 -6.8033 -2.3421 -2.3421 1.2237 1.2237 1.4424 1.4424 1.5855 1.5855 1.9029 1.9029 1.9239 1.9239 2.2892 2.2892 2.7856 2.7856 2.8487 2.8487 2.8647 2.8647 3.2353 3.2353 3.2954 3.2954 4.1401 4.1401 4.1674 4.1674 4.1787 4.1787 4.2433 4.2433 4.3923 4.3923 4.4019 4.4019 4.4662 4.4662 5.1109 5.1109 5.5978 5.5978 5.6438 5.6438 5.6606 5.6606 6.3236 6.3236 6.9225 6.9225 7.1402 7.1402 7.2067 7.2067 7.7328 7.7328 8.6335 8.6335 9.6580 9.6580 10.1063 10.1063 k = 0.1207 0.0862-0.0000 ( 6111 PWs) bands (ev): -8.2774 -8.2774 -6.8693 -6.8693 -6.8111 -6.8111 -6.8038 -6.8038 -2.3327 -2.3327 1.2186 1.2186 1.4179 1.4179 1.6064 1.6064 1.9085 1.9085 1.9293 1.9293 2.3307 2.3307 2.7714 2.7714 2.8486 2.8486 2.8596 2.8596 3.2373 3.2373 3.2989 3.2989 4.1433 4.1433 4.1636 4.1636 4.1757 4.1757 4.2487 4.2487 4.3938 4.3938 4.4065 4.4065 4.4692 4.4692 5.0945 5.0945 5.6011 5.6011 5.6464 5.6464 5.6629 5.6629 6.3156 6.3156 6.8864 6.8864 7.1136 7.1136 7.1763 7.1763 7.8108 7.8108 8.6426 8.6426 9.6582 9.6582 10.0681 10.0681 k = 0.1379 0.0985-0.0000 ( 6119 PWs) bands (ev): -8.2672 -8.2672 -6.8872 -6.8872 -6.8115 -6.8115 -6.8042 -6.8042 -2.3223 -2.3223 1.2153 1.2153 1.3888 1.3888 1.6333 1.6333 1.9145 1.9145 1.9355 1.9355 2.3736 2.3736 2.7524 2.7524 2.8469 2.8469 2.8581 2.8581 3.2395 3.2395 3.3029 3.3029 4.1470 4.1470 4.1576 4.1576 4.1739 4.1739 4.2545 4.2545 4.3955 4.3955 4.4105 4.4105 4.4735 4.4735 5.0774 5.0774 5.6045 5.6045 5.6489 5.6489 5.6654 5.6654 6.3062 6.3062 6.8546 6.8546 7.0843 7.0843 7.1431 7.1431 7.8878 7.8878 8.6529 8.6529 9.6593 9.6593 10.0218 10.0218 k = 0.1552 0.1108-0.0000 ( 6115 PWs) bands (ev): -8.2558 -8.2558 -6.9071 -6.9071 -6.8119 -6.8119 -6.8048 -6.8048 -2.3109 -2.3109 1.2141 1.2141 1.3577 1.3577 1.6636 1.6636 1.9211 1.9211 1.9424 1.9424 2.4173 2.4173 2.7288 2.7288 2.8446 2.8446 2.8589 2.8589 3.2419 3.2419 3.3072 3.3072 4.1494 4.1494 4.1515 4.1515 4.1730 4.1730 4.2607 4.2607 4.3975 4.3975 4.4135 4.4135 4.4797 4.4797 5.0605 5.0605 5.6080 5.6080 5.6514 5.6514 5.6683 5.6683 6.2957 6.2957 6.8271 6.8271 7.0528 7.0528 7.1077 7.1077 7.9626 7.9626 8.6645 8.6645 9.6619 9.6619 9.9677 9.9677 k = 0.1724 0.1231-0.0000 ( 6139 PWs) bands (ev): -8.2432 -8.2432 -6.9288 -6.9288 -6.8123 -6.8123 -6.8053 -6.8053 -2.2988 -2.2988 1.2150 1.2150 1.3262 1.3262 1.6960 1.6960 1.9280 1.9280 1.9501 1.9501 2.4611 2.4611 2.7012 2.7012 2.8430 2.8430 2.8610 2.8610 3.2444 3.2444 3.3119 3.3119 4.1402 4.1402 4.1554 4.1554 4.1724 4.1724 4.2669 4.2669 4.3996 4.3996 4.4145 4.4145 4.4883 4.4883 5.0440 5.0440 5.6115 5.6115 5.6536 5.6536 5.6713 5.6713 6.2838 6.2838 6.8036 6.8036 7.0197 7.0197 7.0707 7.0707 8.0340 8.0340 8.6771 8.6771 9.6668 9.6668 9.9068 9.9068 k = 0.1897 0.1354-0.0000 ( 6139 PWs) bands (ev): -8.2294 -8.2294 -6.9522 -6.9522 -6.8127 -6.8127 -6.8059 -6.8059 -2.2862 -2.2862 1.2178 1.2178 1.2955 1.2955 1.7298 1.7298 1.9352 1.9352 1.9583 1.9583 2.5045 2.5045 2.6700 2.6700 2.8421 2.8421 2.8638 2.8638 3.2471 3.2471 3.3168 3.3168 4.1294 4.1294 4.1599 4.1599 4.1722 4.1722 4.2729 4.2729 4.4019 4.4019 4.4140 4.4140 4.4999 4.4999 5.0286 5.0286 5.6148 5.6148 5.6554 5.6554 5.6745 5.6745 6.2707 6.2707 6.7839 6.7839 6.9855 6.9855 7.0330 7.0330 8.1007 8.1007 8.6906 8.6906 9.6752 9.6752 9.8402 9.8402 k = 0.2069 0.1477-0.0000 ( 6139 PWs) bands (ev): -8.2146 -8.2146 -6.9769 -6.9769 -6.8132 -6.8132 -6.8066 -6.8066 -2.2731 -2.2731 1.2208 1.2208 1.2679 1.2679 1.7643 1.7643 1.9427 1.9427 1.9673 1.9673 2.5469 2.5469 2.6358 2.6358 2.8417 2.8417 2.8671 2.8671 3.2500 3.2500 3.3220 3.3220 4.1171 4.1171 4.1642 4.1642 4.1723 4.1723 4.2784 4.2784 4.4044 4.4044 4.4124 4.4124 4.5143 4.5143 5.0147 5.0147 5.6178 5.6178 5.6569 5.6569 5.6777 5.6777 6.2563 6.2563 6.7678 6.7678 6.9508 6.9508 6.9951 6.9951 8.1615 8.1615 8.7049 8.7049 9.6874 9.6874 9.7694 9.7694 k = 0.2241 0.1600-0.0000 ( 6131 PWs) bands (ev): -8.1987 -8.1987 -7.0029 -7.0029 -6.8136 -6.8136 -6.8072 -6.8072 -2.2598 -2.2598 1.2153 1.2153 1.2525 1.2525 1.7989 1.7989 1.9504 1.9504 1.9769 1.9769 2.5860 2.5860 2.6007 2.6007 2.8418 2.8418 2.8710 2.8710 3.2529 3.2529 3.3273 3.3273 4.1031 4.1031 4.1673 4.1673 4.1740 4.1740 4.2828 4.2828 4.4057 4.4057 4.4116 4.4116 4.5313 4.5313 5.0027 5.0027 5.6204 5.6204 5.6579 5.6579 5.6806 5.6806 6.2407 6.2407 6.7549 6.7549 6.9162 6.9162 6.9577 6.9577 8.2154 8.2154 8.7197 8.7197 9.6902 9.6902 9.7019 9.7019 k = 0.2414 0.1723-0.0000 ( 6131 PWs) bands (ev): -8.1819 -8.1819 -7.0300 -7.0300 -6.8141 -6.8141 -6.8079 -6.8079 -2.2464 -2.2464 1.1941 1.1941 1.2569 1.2569 1.8329 1.8329 1.9583 1.9583 1.9875 1.9875 2.5584 2.5584 2.6282 2.6282 2.8424 2.8424 2.8754 2.8754 3.2560 3.2560 3.3328 3.3328 4.0874 4.0874 4.1684 4.1684 4.1779 4.1779 4.2856 4.2856 4.4048 4.4048 4.4137 4.4137 4.5508 4.5508 4.9927 4.9927 5.6226 5.6226 5.6583 5.6583 5.6830 5.6830 6.2240 6.2240 6.7449 6.7449 6.8822 6.8822 6.9214 6.9214 8.2615 8.2615 8.7351 8.7351 9.6186 9.6186 9.6384 9.6384 k = 0.2586 0.1847-0.0000 ( 6143 PWs) bands (ev): -8.1642 -8.1642 -7.0579 -7.0579 -6.8145 -6.8145 -6.8085 -6.8085 -2.2331 -2.2331 1.1685 1.1685 1.2699 1.2699 1.8655 1.8655 1.9662 1.9662 1.9993 1.9993 2.5169 2.5169 2.6652 2.6652 2.8432 2.8432 2.8805 2.8805 3.2590 3.2590 3.3382 3.3382 4.0699 4.0699 4.1686 4.1686 4.1827 4.1827 4.2864 4.2864 4.4040 4.4040 4.4171 4.4171 4.5724 4.5724 4.9847 4.9847 5.6243 5.6243 5.6580 5.6580 5.6848 5.6848 6.2062 6.2062 6.7374 6.7374 6.8494 6.8494 6.8867 6.8867 8.2993 8.2993 8.7510 8.7510 9.5427 9.5427 9.5609 9.5609 k = 0.2759 0.1970-0.0000 ( 6143 PWs) bands (ev): -8.1458 -8.1458 -7.0863 -7.0863 -6.8150 -6.8150 -6.8092 -6.8092 -2.2201 -2.2201 1.1431 1.1431 1.2872 1.2872 1.8956 1.8956 1.9743 1.9743 2.0129 2.0129 2.4737 2.4737 2.6998 2.6998 2.8444 2.8444 2.8863 2.8863 3.2620 3.2620 3.3437 3.3437 4.0505 4.0505 4.1686 4.1686 4.1877 4.1877 4.2851 4.2851 4.4048 4.4048 4.4212 4.4212 4.5958 4.5958 4.9786 4.9786 5.6255 5.6255 5.6569 5.6569 5.6859 5.6859 6.1873 6.1873 6.7320 6.7320 6.8182 6.8182 6.8542 6.8542 8.3288 8.3288 8.7675 8.7675 9.4674 9.4674 9.4837 9.4837 k = 0.2931 0.2093-0.0000 ( 6166 PWs) bands (ev): -8.1268 -8.1268 -7.1152 -7.1152 -6.8154 -6.8154 -6.8099 -6.8099 -2.2074 -2.2074 1.1188 1.1188 1.3077 1.3077 1.9218 1.9218 1.9823 1.9823 2.0290 2.0290 2.4292 2.4292 2.7313 2.7313 2.8458 2.8458 2.8931 2.8931 3.2650 3.2650 3.3491 3.3491 4.0292 4.0292 4.1685 4.1685 4.1928 4.1928 4.2818 4.2818 4.4076 4.4076 4.4256 4.4256 4.6208 4.6208 4.9743 4.9743 5.6262 5.6262 5.6548 5.6548 5.6861 5.6861 6.1675 6.1675 6.7283 6.7283 6.7891 6.7891 6.8242 6.8242 8.3503 8.3503 8.7847 8.7847 9.3938 9.3938 9.4082 9.4082 k = 0.3103 0.2216-0.0000 ( 6174 PWs) bands (ev): -8.1074 -8.1074 -7.1440 -7.1440 -6.8159 -6.8159 -6.8105 -6.8105 -2.1953 -2.1953 1.0961 1.0961 1.3314 1.3314 1.9430 1.9430 1.9902 1.9902 2.0476 2.0476 2.3844 2.3844 2.7595 2.7595 2.8474 2.8474 2.9010 2.9010 3.2680 3.2680 3.3543 3.3543 4.0065 4.0065 4.1683 4.1683 4.1978 4.1978 4.2771 4.2771 4.4122 4.4122 4.4305 4.4305 4.6472 4.6472 4.9714 4.9714 5.6264 5.6264 5.6517 5.6517 5.6853 5.6853 6.1470 6.1470 6.7259 6.7259 6.7626 6.7626 6.7972 6.7972 8.3645 8.3645 8.8027 8.8027 9.3228 9.3228 9.3356 9.3356 k = 0.3276 0.2339-0.0000 ( 6174 PWs) bands (ev): -8.0877 -8.0877 -7.1727 -7.1727 -6.8163 -6.8163 -6.8112 -6.8112 -2.1838 -2.1838 1.0750 1.0750 1.3579 1.3579 1.9590 1.9590 1.9980 1.9980 2.0679 2.0679 2.3403 2.3403 2.7838 2.7838 2.8491 2.8491 2.9101 2.9101 3.2709 3.2709 3.3594 3.3594 3.9826 3.9826 4.1682 4.1682 4.2025 4.2025 4.2717 4.2717 4.4182 4.4182 4.4355 4.4355 4.6745 4.6745 4.9697 4.9697 5.6260 5.6260 5.6478 5.6478 5.6837 5.6837 6.1261 6.1261 6.7238 6.7238 6.7391 6.7391 6.7737 6.7737 8.3724 8.3724 8.8212 8.8212 9.2553 9.2553 9.2666 9.2666 k = 0.3448 0.2462-0.0000 ( 6174 PWs) bands (ev): -8.0680 -8.0680 -7.2008 -7.2008 -6.8166 -6.8166 -6.8117 -6.8117 -2.1731 -2.1731 1.0558 1.0558 1.3872 1.3872 1.9703 1.9703 2.0054 2.0054 2.0867 2.0867 2.2993 2.2993 2.8041 2.8041 2.8509 2.8509 2.9206 2.9206 3.2736 3.2736 3.3641 3.3641 3.9581 3.9581 4.1681 4.1681 4.2070 4.2070 4.2661 4.2661 4.4251 4.4251 4.4407 4.4407 4.7022 4.7022 4.9690 4.9690 5.6248 5.6248 5.6433 5.6433 5.6813 5.6813 6.1049 6.1049 6.7161 6.7161 6.7235 6.7235 6.7550 6.7550 8.3753 8.3753 8.8402 8.8402 9.1920 9.1920 9.2019 9.2019 k = 0.3621 0.2585-0.0000 ( 6186 PWs) bands (ev): -8.0486 -8.0486 -7.2280 -7.2280 -6.8170 -6.8170 -6.8123 -6.8123 -2.1633 -2.1633 1.0384 1.0384 1.4191 1.4191 1.9776 1.9776 2.0123 2.0123 2.0990 2.0990 2.2658 2.2658 2.8204 2.8204 2.8527 2.8527 2.9321 2.9321 3.2762 3.2762 3.3686 3.3686 3.9334 3.9334 4.1681 4.1681 4.2109 4.2109 4.2608 4.2608 4.4325 4.4325 4.4459 4.4459 4.7297 4.7297 4.9690 4.9690 5.6225 5.6225 5.6388 5.6388 5.6783 5.6783 6.0839 6.0839 6.6993 6.6993 6.7165 6.7165 6.7435 6.7435 8.3743 8.3743 8.8590 8.8590 9.1337 9.1337 9.1421 9.1421 k = 0.3793 0.2708-0.0000 ( 6194 PWs) bands (ev): -8.0298 -8.0298 -7.2539 -7.2539 -6.8173 -6.8173 -6.8128 -6.8128 -2.1544 -2.1544 1.0230 1.0230 1.4535 1.4535 1.9809 1.9809 2.0185 2.0185 2.0976 2.0976 2.2469 2.2469 2.8331 2.8331 2.8545 2.8545 2.9442 2.9442 3.2785 3.2785 3.3727 3.3727 3.9093 3.9093 4.1680 4.1680 4.2145 4.2145 4.2558 4.2558 4.4399 4.4399 4.4510 4.4510 4.7565 4.7565 4.9695 4.9695 5.6187 5.6187 5.6348 5.6348 5.6749 5.6749 6.0634 6.0634 6.6846 6.6846 6.7061 6.7061 6.7397 6.7397 8.3708 8.3708 8.8772 8.8772 9.0811 9.0811 9.0879 9.0879 k = 0.3966 0.2831-0.0000 ( 6178 PWs) bands (ev): -8.0119 -8.0119 -7.2780 -7.2780 -6.8176 -6.8176 -6.8133 -6.8133 -2.1465 -2.1465 1.0095 1.0095 1.4902 1.4902 1.9784 1.9784 2.0240 2.0240 2.0810 2.0810 2.2454 2.2454 2.8429 2.8429 2.8563 2.8563 2.9561 2.9561 3.2807 3.2807 3.3763 3.3763 3.8866 3.8866 4.1680 4.1680 4.2178 4.2178 4.2517 4.2517 4.4471 4.4471 4.4560 4.4560 4.7820 4.7820 4.9703 4.9703 5.6136 5.6136 5.6316 5.6316 5.6714 5.6714 6.0439 6.0439 6.6727 6.6727 6.6951 6.6951 6.7395 6.7395 8.3657 8.3657 8.8937 8.8937 9.0350 9.0350 9.0397 9.0397 k = 0.4138 0.2954-0.0000 ( 6162 PWs) bands (ev): -7.9955 -7.9955 -7.2999 -7.2999 -6.8178 -6.8178 -6.8137 -6.8137 -2.1398 -2.1398 0.9981 0.9981 1.5290 1.5290 1.9659 1.9659 2.0286 2.0286 2.0602 2.0602 2.2548 2.2548 2.8501 2.8501 2.8581 2.8581 2.9672 2.9672 3.2826 3.2826 3.3795 3.3795 3.8658 3.8658 4.1680 4.1680 4.2204 4.2204 4.2481 4.2481 4.4537 4.4537 4.4605 4.4605 4.8053 4.8053 4.9714 4.9714 5.6079 5.6079 5.6290 5.6290 5.6681 5.6681 6.0260 6.0260 6.6633 6.6633 6.6854 6.6854 6.7407 6.7407 8.3600 8.3600 8.9074 8.9074 8.9967 8.9967 8.9981 8.9981 k = 0.4310 0.3078-0.0000 ( 6166 PWs) bands (ev): -7.9810 -7.9810 -7.3189 -7.3189 -6.8180 -6.8180 -6.8140 -6.8140 -2.1342 -2.1342 0.9887 0.9887 1.5695 1.5695 1.9395 1.9395 2.0322 2.0322 2.0463 2.0463 2.2676 2.2676 2.8552 2.8552 2.8600 2.8600 2.9769 2.9769 3.2842 3.2842 3.3822 3.3822 3.8477 3.8477 4.1680 4.1680 4.2224 4.2224 4.2452 4.2452 4.4595 4.4595 4.4645 4.4645 4.8256 4.8256 4.9724 4.9724 5.6021 5.6021 5.6268 5.6268 5.6651 5.6651 6.0103 6.0103 6.6563 6.6563 6.6776 6.6776 6.7421 6.7421 8.3543 8.3543 8.9147 8.9147 8.9633 8.9633 8.9696 8.9696 k = 0.4483 0.3201-0.0000 ( 6162 PWs) bands (ev): -7.9689 -7.9689 -7.3345 -7.3345 -6.8181 -6.8181 -6.8143 -6.8143 -2.1298 -2.1298 0.9814 0.9814 1.6112 1.6112 1.9025 1.9025 2.0347 2.0347 2.0405 2.0405 2.2798 2.2798 2.8582 2.8582 2.8621 2.8621 2.9847 2.9847 3.2855 3.2855 3.3842 3.3842 3.8329 3.8329 4.1680 4.1680 4.2239 4.2239 4.2431 4.2431 4.4643 4.4643 4.4678 4.4678 4.8424 4.8424 4.9733 4.9733 5.5970 5.5970 5.6248 5.6248 5.6627 5.6627 5.9972 5.9972 6.6512 6.6512 6.6717 6.6717 6.7435 6.7435 8.3494 8.3494 8.9100 8.9100 8.9359 8.9359 8.9591 8.9591 k = 0.4655 0.3324-0.0000 ( 6158 PWs) bands (ev): -7.9598 -7.9598 -7.3461 -7.3461 -6.8182 -6.8182 -6.8145 -6.8145 -2.1267 -2.1267 0.9761 0.9761 1.6529 1.6529 1.8614 1.8614 2.0353 2.0353 2.0395 2.0395 2.2895 2.2895 2.8597 2.8597 2.8641 2.8641 2.9905 2.9905 3.2864 3.2864 3.3858 3.3858 3.8219 3.8219 4.1680 4.1680 4.2250 4.2250 4.2417 4.2417 4.4679 4.4679 4.4703 4.4703 4.8549 4.8549 4.9740 4.9740 5.5929 5.5929 5.6233 5.6233 5.6610 5.6610 5.9875 5.9875 6.6478 6.6478 6.6675 6.6675 6.7446 6.7446 8.3456 8.3456 8.8982 8.8982 8.9160 8.9160 8.9602 8.9602 k = 0.4828 0.3447-0.0000 ( 6150 PWs) bands (ev): -7.9542 -7.9542 -7.3533 -7.3533 -6.8183 -6.8183 -6.8146 -6.8146 -2.1248 -2.1248 0.9730 0.9730 1.6912 1.6912 1.8226 1.8226 2.0352 2.0352 2.0401 2.0401 2.2957 2.2957 2.8605 2.8605 2.8655 2.8655 2.9940 2.9940 3.2870 3.2870 3.3867 3.3867 3.8151 3.8151 4.1680 4.1680 4.2256 4.2256 4.2410 4.2410 4.4701 4.4701 4.4718 4.4718 4.8627 4.8627 4.9745 4.9745 5.5904 5.5904 5.6223 5.6223 5.6601 5.6601 5.9814 5.9814 6.6459 6.6459 6.6651 6.6651 6.7454 6.7454 8.3432 8.3432 8.8890 8.8890 8.9041 8.9041 8.9631 8.9631 k = 0.5000 0.3570-0.0000 ( 6134 PWs) bands (ev): -7.9523 -7.9523 -7.3557 -7.3557 -6.8183 -6.8183 -6.8146 -6.8146 -2.1241 -2.1241 0.9719 0.9719 1.7110 1.7110 1.8024 1.8024 2.0351 2.0351 2.0404 2.0404 2.2978 2.2978 2.8607 2.8607 2.8660 2.8660 2.9952 2.9952 3.2872 3.2872 3.3870 3.3870 3.8129 3.8129 4.1680 4.1680 4.2258 4.2258 4.2407 4.2407 4.4710 4.4710 4.4724 4.4724 4.8653 4.8653 4.9747 4.9747 5.5895 5.5895 5.6219 5.6219 5.6597 5.6597 5.9794 5.9794 6.6454 6.6454 6.6643 6.6643 6.7456 6.7456 8.3424 8.3424 8.8857 8.8857 8.9001 8.9001 8.9642 8.9642 k = 0.5000 0.3570-0.0000 ( 6134 PWs) bands (ev): -7.9523 -7.9523 -7.3557 -7.3557 -6.8183 -6.8183 -6.8146 -6.8146 -2.1241 -2.1241 0.9719 0.9719 1.7110 1.7110 1.8024 1.8024 2.0351 2.0351 2.0404 2.0404 2.2978 2.2978 2.8607 2.8607 2.8660 2.8660 2.9952 2.9952 3.2872 3.2872 3.3870 3.3870 3.8129 3.8129 4.1680 4.1680 4.2258 4.2258 4.2407 4.2407 4.4710 4.4710 4.4724 4.4724 4.8653 4.8653 4.9747 4.9747 5.5895 5.5895 5.6219 5.6219 5.6597 5.6597 5.9794 5.9794 6.6454 6.6454 6.6643 6.6643 6.7456 6.7456 8.3424 8.3424 8.8857 8.8857 8.9001 8.9001 8.9642 8.9642 k = 0.4911 0.3694 0.0153 ( 6160 PWs) bands (ev): -7.9519 -7.9518 -7.3554 -7.3552 -6.8190 -6.8189 -6.8152 -6.8150 -2.1238 -2.1234 0.9727 0.9735 1.7073 1.7135 1.7948 1.7988 2.0320 2.0377 2.0424 2.0434 2.2947 2.3035 2.8594 2.8597 2.8641 2.8686 2.9900 2.9998 3.2862 3.2866 3.3843 3.3876 3.8115 3.8164 4.1675 4.1690 4.2093 4.2350 4.2398 4.2478 4.4512 4.4710 4.4734 4.4934 4.8612 4.8679 4.9731 4.9765 5.5870 5.5901 5.6194 5.6248 5.6582 5.6621 5.9798 5.9800 6.6425 6.6435 6.6594 6.6663 6.7448 6.7528 8.3413 8.3432 8.8771 8.8916 8.9007 8.9022 8.9638 8.9822 k = 0.4823 0.3818 0.0305 ( 6164 PWs) bands (ev): -7.9506 -7.9505 -7.3543 -7.3538 -6.8216 -6.8215 -6.8160 -6.8154 -2.1222 -2.1214 0.9759 0.9775 1.7024 1.7147 1.7777 1.7851 2.0248 2.0387 2.0489 2.0540 2.2943 2.3119 2.8562 2.8572 2.8625 2.8711 2.9842 3.0038 3.2837 3.2844 3.3795 3.3861 3.8127 3.8223 4.1677 4.1707 4.1920 4.2295 4.2479 4.2593 4.4317 4.4725 4.4773 4.5147 4.8556 4.8688 4.9721 4.9790 5.5820 5.5881 5.6179 5.6272 5.6591 5.6651 5.9814 5.9817 6.6320 6.6379 6.6574 6.6643 6.7508 6.7638 8.3401 8.3439 8.8723 8.8919 8.9049 8.9057 8.9828 9.0122 k = 0.4734 0.3943 0.0458 ( 6160 PWs) bands (ev): -7.9485 -7.9483 -7.3522 -7.3516 -6.8268 -6.8266 -6.8164 -6.8153 -2.1196 -2.1184 0.9814 0.9838 1.6955 1.7137 1.7546 1.7648 2.0145 2.0355 2.0593 2.0683 2.2971 2.3231 2.8522 2.8535 2.8603 2.8732 2.9780 3.0072 3.2795 3.2808 3.3728 3.3826 3.8162 3.8304 4.1686 4.1728 4.1747 4.2241 4.2534 4.2709 4.4146 4.4761 4.4828 4.5356 4.8490 4.8685 4.9715 4.9820 5.5737 5.5819 5.6175 5.6287 5.6641 5.6693 5.9841 5.9845 6.6168 6.6279 6.6583 6.6620 6.7606 6.7760 8.3387 8.3445 8.8741 8.8930 8.9106 8.9119 9.0156 9.0511 k = 0.4645 0.4067 0.0611 ( 6164 PWs) bands (ev): -7.9455 -7.9453 -7.3494 -7.3485 -6.8342 -6.8341 -6.8165 -6.8149 -2.1159 -2.1143 0.9893 0.9924 1.6844 1.7064 1.7303 1.7446 2.0014 2.0295 2.0698 2.0828 2.3037 2.3373 2.8478 2.8488 2.8569 2.8745 2.9713 3.0100 3.2737 3.2758 3.3642 3.3772 3.8220 3.8405 4.1576 4.1702 4.1753 4.2186 4.2583 4.2790 4.4015 4.4815 4.4897 4.5557 4.8413 4.8668 4.9713 4.9854 5.5614 5.5704 5.6177 5.6302 5.6734 5.6754 5.9876 5.9883 6.6000 6.6145 6.6605 6.6612 6.7715 6.7881 8.3370 8.3448 8.8831 8.8967 8.9176 8.9238 9.0576 9.0974 k = 0.4556 0.4191 0.0763 ( 6152 PWs) bands (ev): -7.9417 -7.9415 -7.3457 -7.3446 -6.8438 -6.8437 -6.8165 -6.8145 -2.1112 -2.1092 0.9995 1.0034 1.6649 1.6854 1.7109 1.7339 1.9859 2.0209 2.0786 2.0951 2.3146 2.3545 2.8429 2.8432 2.8522 2.8750 2.9643 3.0123 3.2665 3.2695 3.3540 3.3700 3.8300 3.8526 4.1412 4.1724 4.1782 4.2132 4.2629 4.2821 4.3944 4.4889 4.4979 4.5748 4.8330 4.8643 4.9715 4.9894 5.5449 5.5536 5.6182 5.6322 5.6840 5.6862 5.9922 5.9930 6.5831 6.5996 6.6620 6.6638 6.7824 6.7995 8.3350 8.3448 8.8981 8.9022 8.9281 8.9432 9.1065 9.1499 k = 0.4468 0.4315 0.0916 ( 6160 PWs) bands (ev): -7.9372 -7.9369 -7.3411 -7.3398 -6.8553 -6.8552 -6.8163 -6.8139 -2.1056 -2.1032 1.0120 1.0167 1.6361 1.6544 1.6984 1.7305 1.9680 2.0099 2.0846 2.1037 2.3300 2.3744 2.8363 2.8380 2.8461 2.8744 2.9573 3.0140 3.2579 3.2621 3.3421 3.3611 3.8401 3.8662 4.1256 4.1750 4.1811 4.2078 4.2672 4.2793 4.3940 4.4982 4.5071 4.5927 4.8244 4.8614 4.9721 4.9936 5.5242 5.5321 5.6184 5.6343 5.6950 5.7016 5.9974 5.9985 6.5666 6.5841 6.6641 6.6682 6.7926 6.8098 8.3324 8.3444 8.9087 8.9142 8.9470 8.9714 9.1612 9.2080 k = 0.4379 0.4440 0.1069 ( 6166 PWs) bands (ev): -7.9320 -7.9316 -7.3358 -7.3343 -6.8687 -6.8686 -6.8161 -6.8133 -2.0993 -2.0965 1.0268 1.0322 1.6023 1.6194 1.6894 1.7293 1.9480 1.9968 2.0877 2.1081 2.3495 2.3966 2.8285 2.8325 2.8387 2.8725 2.9503 3.0152 3.2481 3.2538 3.3289 3.3508 3.8521 3.8813 4.1110 4.1777 4.1839 4.2027 4.2700 4.2732 4.3994 4.5093 4.5172 4.6094 4.8159 4.8584 4.9730 4.9982 5.4995 5.5066 5.6179 5.6362 5.7083 5.7191 6.0034 6.0047 6.5508 6.5688 6.6674 6.6738 6.8021 6.8192 8.3294 8.3436 8.9160 8.9266 8.9785 9.0081 9.2210 9.2709 k = 0.4290 0.4564 0.1221 ( 6174 PWs) bands (ev): -7.9261 -7.9257 -7.3297 -7.3279 -6.8837 -6.8836 -6.8158 -6.8127 -2.0923 -2.0892 1.0438 1.0499 1.5664 1.5826 1.6816 1.7288 1.9260 1.9819 2.0878 2.1085 2.3722 2.4203 2.8196 2.8261 2.8305 2.8691 2.9437 3.0159 3.2372 3.2446 3.3146 3.3393 3.8658 3.8976 4.0976 4.1801 4.1866 4.1983 4.2618 4.2755 4.4087 4.5224 4.5280 4.6248 4.8079 4.8559 4.9741 5.0029 5.4713 5.4779 5.6164 5.6372 5.7234 5.7384 6.0100 6.0114 6.5360 6.5539 6.6719 6.6807 6.8110 6.8280 8.3256 8.3422 8.9241 8.9370 9.0204 9.0528 9.2855 9.3383 k = 0.4202 0.4688 0.1374 ( 6174 PWs) bands (ev): -7.9196 -7.9192 -7.3228 -7.3208 -6.9003 -6.9001 -6.8154 -6.8119 -2.0849 -2.0813 1.0629 1.0697 1.5296 1.5451 1.6741 1.7288 1.9024 1.9654 2.0852 2.1057 2.3970 2.4449 2.8095 2.8172 2.8231 2.8643 2.9377 3.0162 3.2255 3.2347 3.2994 3.3267 3.8811 3.9148 4.0856 4.1807 4.1888 4.1960 4.2521 4.2789 4.4204 4.5373 4.5394 4.6390 4.8006 4.8542 4.9754 5.0077 5.4401 5.4464 5.6136 5.6371 5.7401 5.7590 6.0173 6.0187 6.5221 6.5394 6.6777 6.6890 6.8199 6.8364 8.3211 8.3402 8.9332 8.9469 9.0700 9.1042 9.3545 9.4098 k = 0.4113 0.4812 0.1526 ( 6180 PWs) bands (ev): -7.9126 -7.9121 -7.3151 -7.3130 -6.9182 -6.9180 -6.8150 -6.8112 -2.0770 -2.0732 1.0842 1.0916 1.4926 1.5073 1.6667 1.7290 1.8772 1.9477 2.0804 2.1002 2.4230 2.4698 2.7982 2.8056 2.8167 2.8579 2.9325 3.0160 3.2130 3.2243 3.2834 3.3133 3.8977 3.9325 4.0749 4.1781 4.1905 4.1970 4.2433 4.2818 4.4333 4.5513 4.5541 4.6520 4.7943 4.8537 4.9767 5.0124 5.4063 5.4127 5.6095 5.6357 5.7580 5.7806 6.0251 6.0264 6.5090 6.5253 6.6845 6.6985 6.8290 6.8448 8.3158 8.3374 8.9432 8.9570 9.1256 9.1611 9.4279 9.4853 k = 0.4024 0.4937 0.1679 ( 6176 PWs) bands (ev): -7.9052 -7.9047 -7.3067 -7.3044 -6.9372 -6.9370 -6.8146 -6.8104 -2.0690 -2.0648 1.1075 1.1156 1.4556 1.4697 1.6593 1.7295 1.8510 1.9294 2.0735 2.0926 2.4491 2.4944 2.7855 2.7921 2.8104 2.8505 2.9279 3.0155 3.2002 3.2135 3.2671 3.2994 3.9154 3.9504 4.0655 4.1735 4.1916 4.2003 4.2364 4.2843 4.4470 4.5639 4.5725 4.6638 4.7893 4.8547 4.9781 5.0171 5.3703 5.3773 5.6039 5.6328 5.7768 5.8027 6.0334 6.0345 6.4965 6.5115 6.6924 6.7090 6.8386 6.8535 8.3097 8.3338 8.9543 8.9676 9.1855 9.2216 9.5061 9.5647 k = 0.3936 0.5061 0.1832 ( 6174 PWs) bands (ev): -7.8976 -7.8970 -7.2976 -7.2951 -6.9571 -6.9569 -6.8141 -6.8095 -2.0610 -2.0565 1.1326 1.1414 1.4191 1.4327 1.6518 1.7304 1.8239 1.9106 2.0649 2.0832 2.4746 2.5179 2.7712 2.7771 2.8041 2.8424 2.9238 3.0147 3.1871 3.2025 3.2505 3.2850 3.9340 3.9680 4.0575 4.1681 4.1920 4.2044 4.2320 4.2863 4.4608 4.5772 4.5926 4.6745 4.7859 4.8575 4.9792 5.0215 5.3328 5.3408 5.5969 5.6285 5.7962 5.8252 6.0421 6.0427 6.4846 6.4979 6.7010 6.7203 6.8489 6.8629 8.3027 8.3293 8.9666 8.9788 9.2478 9.2837 9.5895 9.6482 k = 0.3847 0.5185 0.1984 ( 6170 PWs) bands (ev): -7.8897 -7.8892 -7.2878 -7.2851 -6.9777 -6.9774 -6.8135 -6.8087 -2.0532 -2.0484 1.1594 1.1690 1.3832 1.3965 1.6442 1.7315 1.7965 1.8922 2.0548 2.0725 2.4986 2.5398 2.7553 2.7606 2.7979 2.8345 2.9202 3.0137 3.1740 3.1913 3.2339 3.2704 3.9535 3.9848 4.0509 4.1624 4.1924 4.2090 4.2300 4.2878 4.4745 4.5913 4.6141 4.6842 4.7842 4.8621 4.9799 5.0256 5.2941 5.3037 5.5885 5.6228 5.8161 5.8476 6.0512 6.0513 6.4731 6.4846 6.7100 6.7321 6.8601 6.8729 8.2949 8.3240 8.9801 8.9907 9.3104 9.3452 9.6786 9.7362 k = 0.3758 0.5309 0.2137 ( 6168 PWs) bands (ev): -7.8819 -7.8813 -7.2774 -7.2745 -6.9986 -6.9983 -6.8130 -6.8078 -2.0457 -2.0406 1.1873 1.1983 1.3482 1.3619 1.6363 1.7317 1.7704 1.8745 2.0434 2.0606 2.5202 2.5595 2.7376 2.7426 2.7920 2.8275 2.9168 3.0126 3.1611 3.1800 3.2175 3.2557 3.9733 4.0004 4.0456 4.1566 4.1933 4.2138 4.2301 4.2890 4.4878 4.6063 4.6367 4.6929 4.7846 4.8688 4.9800 5.0291 5.2549 5.2667 5.5789 5.6158 5.8363 5.8697 6.0597 6.0607 6.4620 6.4717 6.7191 6.7438 6.8720 6.8836 8.2864 8.3177 8.9950 9.0037 9.3714 9.4041 9.7740 9.8291 k = 0.3669 0.5434 0.2290 ( 6160 PWs) bands (ev): -7.8743 -7.8737 -7.2664 -7.2633 -7.0197 -7.0194 -6.8124 -6.8069 -2.0386 -2.0334 1.2150 1.2289 1.3141 1.3302 1.6280 1.7242 1.7525 1.8583 2.0308 2.0477 2.5387 2.5760 2.7183 2.7234 2.7869 2.8222 2.9135 3.0116 3.1487 3.1688 3.2015 3.2411 3.9935 4.0141 4.0414 4.1508 4.1954 4.2190 4.2321 4.2898 4.5002 4.6223 4.6600 4.7006 4.7873 4.8775 4.9793 5.0317 5.2159 5.2306 5.5681 5.6076 5.8567 5.8915 6.0683 6.0705 6.4515 6.4592 6.7278 6.7550 6.8844 6.8948 8.2773 8.3107 9.0113 9.0178 9.4286 9.4585 9.8758 9.9273 k = 0.3581 0.5558 0.2442 ( 6168 PWs) bands (ev): -7.8671 -7.8665 -7.2548 -7.2515 -7.0406 -7.0402 -6.8118 -6.8061 -2.0323 -2.0268 1.2367 1.2605 1.2812 1.3074 1.6194 1.7019 1.7507 1.8441 2.0173 2.0340 2.5530 2.5885 2.6975 2.7031 2.7829 2.8194 2.9103 3.0106 3.1368 3.1576 3.1861 3.2266 4.0137 4.0257 4.0385 4.1451 4.1986 4.2241 4.2359 4.2904 4.5117 4.6393 4.6828 4.7075 4.7928 4.8882 4.9775 5.0330 5.1781 5.1961 5.5564 5.5983 5.8771 5.9126 6.0767 6.0804 6.4415 6.4474 6.7356 6.7652 6.8969 6.9063 8.2679 8.3031 9.0292 9.0333 9.4803 9.5071 9.9838 10.0309 k = 0.3492 0.5682 0.2595 ( 6170 PWs) bands (ev): -7.8605 -7.8598 -7.2426 -7.2392 -7.0609 -7.0604 -6.8112 -6.8052 -2.0267 -2.0211 1.2346 1.2494 1.2931 1.3111 1.6105 1.6747 1.7551 1.8327 2.0029 2.0197 2.5623 2.5962 2.6755 2.6820 2.7807 2.8198 2.9071 3.0099 3.1257 3.1465 3.1714 3.2124 4.0333 4.0353 4.0370 4.1395 4.2023 4.2294 4.2419 4.2911 4.5221 4.6571 4.7023 4.7154 4.8021 4.9011 4.9741 5.0320 5.1428 5.1642 5.5439 5.5881 5.8974 5.9329 6.0851 6.0905 6.4323 6.4364 6.7419 6.7737 6.9094 6.9176 8.2584 8.2951 9.0487 9.0502 9.5254 9.5490 10.0974 10.1397 k = 0.3403 0.5806 0.2748 ( 6170 PWs) bands (ev): -7.8547 -7.8541 -7.2299 -7.2263 -7.0804 -7.0798 -6.8106 -6.8044 -2.0221 -2.0163 1.2120 1.2191 1.3254 1.3382 1.6019 1.6470 1.7620 1.8245 1.9877 2.0048 2.5658 2.5979 2.6526 2.6606 2.7806 2.8237 2.9041 3.0095 3.1156 3.1356 3.1575 3.1984 4.0355 4.0428 4.0537 4.1342 4.2057 4.2349 4.2505 4.2918 4.5313 4.6756 4.7109 4.7302 4.8164 4.9159 4.9690 5.0265 5.1127 5.1359 5.5307 5.5770 5.9177 5.9523 6.0932 6.1006 6.4241 6.4266 6.7464 6.7801 6.9213 6.9285 8.2493 8.2870 9.0687 9.0698 9.5631 9.5838 10.2156 10.2530 k = 0.3315 0.5930 0.2900 ( 6174 PWs) bands (ev): -7.8501 -7.8495 -7.2168 -7.2131 -7.0986 -7.0980 -6.8100 -6.8036 -2.0185 -2.0127 1.1850 1.1903 1.3565 1.3722 1.5945 1.6197 1.7706 1.8199 1.9719 1.9895 2.5630 2.5930 2.6298 2.6399 2.7826 2.8309 2.9012 3.0093 3.1065 3.1249 3.1445 3.1847 4.0355 4.0487 4.0726 4.1293 4.2084 4.2405 4.2615 4.2929 4.5391 4.6945 4.7124 4.7463 4.8361 4.9323 4.9622 5.0136 5.0915 5.1120 5.5169 5.5653 5.9378 5.9708 6.1010 6.1108 6.4170 6.4181 6.7485 6.7838 6.9322 6.9384 8.2410 8.2791 9.0888 9.0925 9.5936 9.6117 10.3371 10.3697 k = 0.3226 0.6055 0.3053 ( 6166 PWs) bands (ev): -7.8469 -7.8463 -7.2033 -7.1993 -7.1152 -7.1145 -6.8094 -6.8028 -2.0161 -2.0102 1.1580 1.1632 1.3846 1.4086 1.5903 1.5934 1.7809 1.8192 1.9554 1.9740 2.5536 2.5807 2.6082 2.6210 2.7863 2.8406 2.8986 3.0093 3.0987 3.1146 3.1322 3.1713 4.0363 4.0535 4.0901 4.1256 4.2102 4.2465 4.2742 4.2944 4.5454 4.7102 4.7136 4.7602 4.8608 4.9492 4.9542 4.9942 5.0799 5.0930 5.5028 5.5529 5.9578 5.9881 6.1085 6.1209 6.4111 6.4113 6.7479 6.7843 6.9417 6.9471 8.2338 8.2720 9.1107 9.1167 9.6171 9.6332 10.4601 10.4879 k = 0.3137 0.6179 0.3206 ( 6168 PWs) bands (ev): -7.8454 -7.8448 -7.1894 -7.1853 -7.1298 -7.1290 -6.8088 -6.8020 -2.0150 -2.0091 1.1321 1.1378 1.4065 1.4453 1.5692 1.5922 1.7926 1.8224 1.9385 1.9587 2.5374 2.5619 2.5890 2.6042 2.7909 2.8514 2.8968 3.0091 3.0925 3.1048 3.1206 3.1581 4.0379 4.0575 4.1032 4.1258 4.2111 4.2525 4.2877 4.2966 4.5500 4.7040 4.7325 4.7721 4.8893 4.9463 4.9556 4.9833 5.0743 5.0784 5.4882 5.5400 5.9775 6.0041 6.1154 6.1309 6.4061 6.4073 6.7444 6.7813 6.9494 6.9540 8.2282 8.2660 9.1341 9.1423 9.6348 9.6491 10.5817 10.6049 k = 0.3137 0.6179 0.3206 ( 6168 PWs) bands (ev): -7.8454 -7.8448 -7.1894 -7.1853 -7.1298 -7.1290 -6.8088 -6.8020 -2.0150 -2.0091 1.1321 1.1378 1.4065 1.4453 1.5692 1.5922 1.7926 1.8224 1.9385 1.9587 2.5374 2.5619 2.5890 2.6042 2.7909 2.8514 2.8968 3.0091 3.0925 3.1048 3.1206 3.1581 4.0379 4.0575 4.1032 4.1258 4.2111 4.2525 4.2877 4.2966 4.5500 4.7040 4.7325 4.7721 4.8893 4.9463 4.9556 4.9833 5.0743 5.0784 5.4882 5.5400 5.9775 6.0041 6.1154 6.1309 6.4061 6.4073 6.7444 6.7813 6.9494 6.9540 8.2282 8.2660 9.1341 9.1423 9.6348 9.6491 10.5817 10.6049 k = 0.2941 0.6123 0.3274 ( 6165 PWs) bands (ev): -7.8458 -7.8453 -7.1843 -7.1803 -7.1336 -7.1322 -6.8088 -6.8019 -2.0152 -2.0093 1.1210 1.1269 1.4132 1.4618 1.5572 1.5957 1.7985 1.8255 1.9326 1.9533 2.5222 2.5407 2.5922 2.6028 2.7930 2.8564 2.8960 3.0083 3.0892 3.0999 3.1157 3.1531 4.0387 4.0586 4.1064 4.1289 4.2110 4.2547 4.2940 4.2985 4.5518 4.6981 4.7421 4.7766 4.9023 4.9431 4.9498 4.9886 5.0728 5.0736 5.4813 5.5336 5.9869 6.0119 6.1187 6.1353 6.4042 6.4066 6.7396 6.7761 6.9538 6.9582 8.2267 8.2641 9.1464 9.1572 9.6404 9.6544 10.6332 10.6546 k = 0.2745 0.6067 0.3343 ( 6161 PWs) bands (ev): -7.8477 -7.8472 -7.1836 -7.1800 -7.1308 -7.1282 -6.8093 -6.8024 -2.0163 -2.0104 1.1105 1.1165 1.4167 1.4773 1.5435 1.6002 1.8049 1.8304 1.9303 1.9508 2.4981 2.5106 2.6031 2.6101 2.7946 2.8610 2.8950 3.0061 3.0845 3.0933 3.1117 3.1493 4.0396 4.0589 4.1080 4.1338 4.2103 4.2554 4.2990 4.3035 4.5544 4.6909 4.7511 4.7802 4.9141 4.9384 4.9461 4.9968 5.0697 5.0728 5.4737 5.5261 5.9978 6.0214 6.1226 6.1399 6.4028 6.4069 6.7306 6.7661 6.9593 6.9640 8.2265 8.2635 9.1622 9.1776 9.6442 9.6586 10.6798 10.7004 k = 0.2549 0.6012 0.3411 ( 6151 PWs) bands (ev): -7.8506 -7.8501 -7.1874 -7.1843 -7.1212 -7.1177 -6.8104 -6.8034 -2.0180 -2.0123 1.1009 1.1070 1.4162 1.4866 1.5339 1.6059 1.8113 1.8369 1.9313 1.9515 2.4697 2.4783 2.6146 2.6222 2.7958 2.8648 2.8941 3.0026 3.0789 3.0845 3.1090 3.1463 4.0405 4.0589 4.1084 4.1391 4.2092 4.2551 4.3024 4.3111 4.5579 4.6839 4.7581 4.7829 4.9219 4.9346 4.9470 5.0060 5.0676 5.0735 5.4651 5.5173 6.0100 6.0328 6.1272 6.1444 6.4021 6.4080 6.7182 6.7524 6.9640 6.9696 8.2281 8.2644 9.1825 9.2030 9.6471 9.6628 10.7214 10.7421 k = 0.2353 0.5956 0.3480 ( 6157 PWs) bands (ev): -7.8543 -7.8538 -7.1935 -7.1909 -7.1073 -7.1032 -6.8122 -6.8051 -2.0203 -2.0148 1.0926 1.0986 1.4114 1.4797 1.5388 1.6134 1.8176 1.8449 1.9345 1.9557 2.4391 2.4448 2.6264 2.6368 2.7965 2.8669 2.8938 2.9977 3.0718 3.0759 3.1071 3.1436 4.0413 4.0587 4.1081 4.1438 4.2080 4.2541 4.3060 4.3185 4.5625 4.6777 4.7628 4.7848 4.9214 4.9365 4.9524 5.0158 5.0666 5.0750 5.4556 5.5073 6.0236 6.0461 6.1322 6.1489 6.4018 6.4096 6.7035 6.7363 6.9662 6.9730 8.2320 8.2671 9.2074 9.2331 9.6499 9.6672 10.7590 10.7798 k = 0.2157 0.5900 0.3548 ( 6160 PWs) bands (ev): -7.8585 -7.8581 -7.2005 -7.1983 -7.0911 -7.0866 -6.8146 -6.8075 -2.0231 -2.0178 1.0856 1.0915 1.4025 1.4613 1.5543 1.6228 1.8238 1.8540 1.9388 1.9638 2.4070 2.4111 2.6388 2.6525 2.7969 2.8667 2.8948 2.9917 3.0615 3.0698 3.1056 3.1409 4.0422 4.0588 4.1074 4.1470 4.2069 4.2524 4.3099 4.3249 4.5684 4.6726 4.7655 4.7858 4.9182 4.9391 4.9618 5.0261 5.0667 5.0773 5.4449 5.4959 6.0384 6.0613 6.1380 6.1533 6.4021 6.4117 6.6871 6.7186 6.9652 6.9731 8.2383 8.2720 9.2371 9.2676 9.6531 9.6724 10.7931 10.8138 k = 0.1961 0.5844 0.3617 ( 6162 PWs) bands (ev): -7.8631 -7.8627 -7.2076 -7.2057 -7.0735 -7.0687 -6.8178 -6.8106 -2.0262 -2.0212 1.0801 1.0856 1.3904 1.4392 1.5730 1.6340 1.8296 1.8638 1.9436 1.9750 2.3732 2.3784 2.6518 2.6689 2.7969 2.8645 2.8965 2.9846 3.0504 3.0645 3.1043 3.1381 4.0433 4.0592 4.1063 4.1481 4.2062 4.2504 4.3139 4.3302 4.5755 4.6686 4.7667 4.7859 4.9161 4.9413 4.9728 5.0369 5.0677 5.0803 5.4331 5.4831 6.0543 6.0783 6.1444 6.1576 6.4028 6.4142 6.6695 6.6997 6.9603 6.9693 8.2472 8.2791 9.2713 9.3062 9.6570 9.6783 10.8244 10.8442 k = 0.1765 0.5788 0.3685 ( 6159 PWs) bands (ev): -7.8678 -7.8674 -7.2144 -7.2127 -7.0552 -7.0501 -6.8218 -6.8146 -2.0294 -2.0248 1.0759 1.0810 1.3759 1.4162 1.5927 1.6466 1.8353 1.8736 1.9488 1.9884 2.3385 2.3467 2.6652 2.6859 2.7967 2.8608 2.8983 2.9763 3.0397 3.0595 3.1032 3.1351 4.0446 4.0600 4.1050 4.1470 4.2062 4.2482 4.3178 4.3343 4.5834 4.6657 4.7669 4.7851 4.9155 4.9433 4.9846 5.0479 5.0696 5.0840 5.4202 5.4690 6.0710 6.0970 6.1515 6.1617 6.4040 6.4172 6.6510 6.6798 6.9516 6.9616 8.2586 8.2883 9.3094 9.3481 9.6616 9.6849 10.8528 10.8710 k = 0.1569 0.5733 0.3754 ( 6155 PWs) bands (ev): -7.8724 -7.8720 -7.2206 -7.2192 -7.0367 -7.0313 -6.8267 -6.8194 -2.0328 -2.0286 1.0731 1.0777 1.3603 1.3934 1.6126 1.6602 1.8408 1.8829 1.9546 2.0031 2.3036 2.3160 2.6791 2.7032 2.7964 2.8562 2.8994 2.9671 3.0299 3.0546 3.1024 3.1321 4.0462 4.0613 4.1035 4.1439 4.2068 4.2458 4.3214 4.3371 4.5919 4.6637 4.7666 4.7835 4.9165 4.9452 4.9968 5.0581 5.0731 5.0886 5.4062 5.4536 6.0879 6.1171 6.1593 6.1657 6.4057 6.4206 6.6318 6.6592 6.9396 6.9503 8.2722 8.2994 9.3507 9.3926 9.6666 9.6920 10.8779 10.8942 k = 0.1373 0.5677 0.3822 ( 6155 PWs) bands (ev): -7.8768 -7.8765 -7.2263 -7.2251 -7.0181 -7.0125 -6.8324 -6.8252 -2.0361 -2.0323 1.0714 1.0754 1.3444 1.3716 1.6324 1.6741 1.8462 1.8910 1.9610 2.0185 2.2691 2.2865 2.6931 2.7208 2.7959 2.8512 2.8990 2.9568 3.0215 3.0497 3.1018 3.1289 4.0484 4.0629 4.1017 4.1390 4.2080 4.2432 4.3247 4.3389 4.6006 4.6623 4.7659 4.7812 4.9187 4.9469 5.0094 5.0649 5.0800 5.0945 5.3914 5.4369 6.1044 6.1381 6.1663 6.1715 6.4080 6.4244 6.6122 6.6379 6.9252 6.9361 8.2873 8.3117 9.3941 9.4384 9.6720 9.6993 10.8996 10.9136 k = 0.1176 0.5621 0.3891 ( 6157 PWs) bands (ev): -7.8808 -7.8806 -7.2314 -7.2303 -6.9998 -6.9940 -6.8392 -6.8319 -2.0391 -2.0358 1.0708 1.0742 1.3291 1.3513 1.6517 1.6879 1.8514 1.8973 1.9683 2.0339 2.2355 2.2588 2.7071 2.7385 2.7955 2.8463 2.8969 2.9457 3.0149 3.0447 3.1016 3.1257 4.0511 4.0648 4.0997 4.1328 4.2096 4.2406 4.3274 4.3398 4.6093 4.6613 4.7651 4.7787 4.9218 4.9482 5.0220 5.0683 5.0893 5.1027 5.3760 5.4194 6.1196 6.1590 6.1708 6.1816 6.4109 6.4288 6.5921 6.6159 6.9095 6.9201 8.3033 8.3246 9.4383 9.4842 9.6773 9.7065 10.9177 10.9296 k = 0.0980 0.5565 0.3960 ( 6153 PWs) bands (ev): -7.8844 -7.8842 -7.2357 -7.2348 -6.9819 -6.9759 -6.8468 -6.8396 -2.0419 -2.0391 1.0710 1.0737 1.3151 1.3330 1.6700 1.7009 1.8566 1.9013 1.9769 2.0488 2.2032 2.2331 2.7210 2.7560 2.7950 2.8420 2.8927 2.9337 3.0106 3.0396 3.1018 3.1225 4.0544 4.0669 4.0976 4.1257 4.2115 4.2378 4.3298 4.3401 4.6175 4.6603 4.7644 4.7760 4.9257 4.9490 5.0341 5.0701 5.0984 5.1137 5.3607 5.4012 6.1327 6.1700 6.1834 6.1943 6.4148 6.4338 6.5717 6.5933 6.8936 6.9036 8.3192 8.3373 9.4818 9.5283 9.6822 9.7130 10.9323 10.9426 k = 0.0784 0.5510 0.4028 ( 6157 PWs) bands (ev): -7.8875 -7.8873 -7.2392 -7.2385 -6.9647 -6.9585 -6.8555 -6.8484 -2.0443 -2.0420 1.0718 1.0738 1.3029 1.3170 1.6870 1.7124 1.8619 1.9026 1.9872 2.0627 2.1731 2.2097 2.7344 2.7728 2.7944 2.8387 2.8867 2.9211 3.0084 3.0345 3.1025 3.1194 4.0584 4.0692 4.0953 4.1181 4.2136 4.2350 4.3317 4.3399 4.6252 4.6591 4.7639 4.7733 4.9297 4.9493 5.0450 5.0711 5.1076 5.1260 5.3462 5.3828 6.1434 6.1719 6.2027 6.2086 6.4199 6.4396 6.5513 6.5704 6.8790 6.8877 8.3341 8.3488 9.5228 9.5685 9.6864 9.7182 10.9441 10.9530 k = 0.0588 0.5454 0.4097 ( 6152 PWs) bands (ev): -7.8899 -7.8898 -7.2420 -7.2415 -6.9482 -6.9420 -6.8650 -6.8580 -2.0461 -2.0444 1.0728 1.0742 1.2933 1.3037 1.7021 1.7217 1.8673 1.9012 1.9996 2.0741 2.1468 2.1886 2.7469 2.7859 2.7961 2.8372 2.8795 2.9080 3.0082 3.0295 3.1035 3.1164 4.0629 4.0716 4.0931 4.1105 4.2159 4.2321 4.3333 4.3395 4.6323 4.6575 4.7636 4.7708 4.9338 4.9489 5.0539 5.0715 5.1178 5.1372 5.3337 5.3649 6.1519 6.1724 6.2197 6.2235 6.4269 6.4466 6.5311 6.5477 6.8666 6.8737 8.3472 8.3583 9.5597 9.6021 9.6903 9.7214 10.9536 10.9612 k = 0.0392 0.5398 0.4165 ( 6160 PWs) bands (ev): -7.8917 -7.8916 -7.2440 -7.2436 -6.9328 -6.9266 -6.8752 -6.8686 -2.0474 -2.0463 1.0738 1.0747 1.2865 1.2934 1.7146 1.7279 1.8731 1.8975 2.0143 2.0781 2.1297 2.1698 2.7582 2.7865 2.8077 2.8371 2.8726 2.8949 3.0096 3.0246 3.1049 3.1136 4.0676 4.0737 4.0912 4.1031 4.2184 4.2293 4.3346 4.3387 4.6386 4.6553 4.7637 4.7685 4.9376 4.9479 5.0607 5.0713 5.1288 5.1453 5.3251 5.3485 6.1585 6.1717 6.2331 6.2363 6.4363 6.4545 6.5120 6.5261 6.8575 6.8625 8.3576 8.3651 9.5908 9.6254 9.6952 9.7218 10.9611 10.9669 k = 0.0196 0.5342 0.4234 ( 6164 PWs) bands (ev): -7.8928 -7.8927 -7.2451 -7.2449 -6.9189 -6.9136 -6.8851 -6.8795 -2.0481 -2.0475 1.0746 1.0750 1.2830 1.2864 1.7238 1.7306 1.8793 1.8920 2.0312 2.0679 2.1290 2.1533 2.7679 2.7823 2.8207 2.8362 2.8693 2.8827 3.0122 3.0200 3.1066 3.1110 4.0721 4.0752 4.0903 4.0965 4.2209 4.2264 4.3358 4.3379 4.6440 4.6523 4.7642 4.7667 4.9410 4.9462 5.0653 5.0703 5.1389 5.1486 5.3219 5.3347 6.1636 6.1701 6.2423 6.2444 6.4480 6.4616 6.4966 6.5073 6.8523 6.8549 8.3649 8.3687 9.6148 9.6347 9.7029 9.7186 10.9667 10.9699 k = 0.0000 0.5286 0.4302 ( 6166 PWs) bands (ev): -7.8931 -7.8931 -7.2454 -7.2454 -6.9093 -6.9093 -6.8882 -6.8882 -2.0481 -2.0481 1.0750 1.0750 1.2829 1.2829 1.7293 1.7293 1.8858 1.8858 2.0499 2.0499 2.1391 2.1391 2.7760 2.7760 2.8308 2.8308 2.8730 2.8730 3.0158 3.0158 3.1087 3.1087 4.0749 4.0749 4.0919 4.0919 4.2236 4.2236 4.3369 4.3369 4.6486 4.6486 4.7652 4.7652 4.9439 4.9439 5.0684 5.0684 5.1462 5.1462 5.3253 5.3253 6.1675 6.1675 6.2464 6.2464 6.4595 6.4595 6.4945 6.4945 6.8514 6.8514 8.3686 8.3686 9.6302 9.6302 9.7118 9.7118 10.9698 10.9698 k = 0.0000 0.5286 0.4302 ( 6166 PWs) bands (ev): -7.8931 -7.8931 -7.2454 -7.2454 -6.9093 -6.9093 -6.8882 -6.8882 -2.0481 -2.0481 1.0750 1.0750 1.2829 1.2829 1.7293 1.7293 1.8858 1.8858 2.0499 2.0499 2.1391 2.1391 2.7760 2.7760 2.8308 2.8308 2.8730 2.8730 3.0158 3.0158 3.1087 3.1087 4.0749 4.0749 4.0919 4.0919 4.2236 4.2236 4.3369 4.3369 4.6486 4.6486 4.7652 4.7652 4.9439 4.9439 5.0684 5.0684 5.1462 5.1462 5.3253 5.3253 6.1675 6.1675 6.2464 6.2464 6.4595 6.4595 6.4945 6.4945 6.8514 6.8514 8.3686 8.3686 9.6302 9.6302 9.7118 9.7118 10.9698 10.9698 k = 0.0086 0.5166 0.4451 ( 6168 PWs) bands (ev): -7.8928 -7.8927 -7.2452 -7.2451 -6.9097 -6.9097 -6.8885 -6.8884 -2.0487 -2.0483 1.0738 1.0745 1.2771 1.2803 1.7276 1.7288 1.8641 1.8956 2.0456 2.0657 2.1405 2.1506 2.7756 2.7766 2.8294 2.8321 2.8723 2.8739 3.0143 3.0170 3.1088 3.1088 4.0717 4.0782 4.0867 4.0978 4.2230 4.2248 4.3357 4.3381 4.6466 4.6507 4.7636 4.7649 4.9342 4.9513 5.0666 5.0698 5.1418 5.1576 5.3246 5.3278 6.1626 6.1695 6.2459 6.2512 6.4599 6.4609 6.4946 6.4960 6.8493 6.8510 8.3632 8.3692 9.6276 9.6331 9.7127 9.7130 10.9642 10.9659 k = 0.0172 0.5045 0.4599 ( 6168 PWs) bands (ev): -7.8917 -7.8916 -7.2444 -7.2441 -6.9110 -6.9109 -6.8892 -6.8889 -2.0500 -2.0493 1.0708 1.0722 1.2636 1.2694 1.7203 1.7235 1.8436 1.8932 2.0577 2.0808 2.1526 2.1776 2.7754 2.7775 2.8280 2.8334 2.8717 2.8748 3.0127 3.0181 3.1091 3.1092 4.0689 4.0794 4.0845 4.1042 4.2229 4.2266 4.3346 4.3395 4.6447 4.6531 4.7605 4.7623 4.9242 4.9550 5.0641 5.0706 5.1459 5.1745 5.3258 5.3320 6.1559 6.1684 6.2500 6.2592 6.4619 6.4640 6.4963 6.4991 6.8448 6.8481 8.3530 8.3651 9.6253 9.6365 9.7155 9.7161 10.9493 10.9529 k = 0.0259 0.4924 0.4747 ( 6162 PWs) bands (ev): -7.8899 -7.8898 -7.2430 -7.2426 -6.9130 -6.9128 -6.8904 -6.8899 -2.0520 -2.0509 1.0661 1.0681 1.2437 1.2514 1.6998 1.7074 1.8372 1.8922 2.0772 2.0921 2.1753 2.2169 2.7754 2.7786 2.8266 2.8346 2.8713 2.8758 3.0108 3.0190 3.1096 3.1098 4.0664 4.0759 4.0877 4.1111 4.2233 4.2289 4.3335 4.3410 4.6428 4.6557 4.7560 4.7572 4.9158 4.9552 5.0607 5.0706 5.1586 5.1954 5.3287 5.3377 6.1483 6.1651 6.2580 6.2692 6.4658 6.4692 6.4995 6.5038 6.8378 6.8427 8.3384 8.3563 9.6233 9.6401 9.7202 9.7212 10.9254 10.9311 k = 0.0345 0.4803 0.4896 ( 6162 PWs) bands (ev): -7.8874 -7.8872 -7.2410 -7.2405 -6.9158 -6.9156 -6.8919 -6.8913 -2.0546 -2.0532 1.0597 1.0623 1.2188 1.2277 1.6655 1.6781 1.8472 1.9018 2.0966 2.1021 2.2074 2.2627 2.7753 2.7800 2.8255 2.8356 2.8710 2.8768 3.0087 3.0198 3.1103 3.1107 4.0644 4.0721 4.0921 4.1183 4.2243 4.2318 4.3324 4.3427 4.6408 4.6584 4.7494 4.7502 4.9101 4.9530 5.0566 5.0698 5.1785 5.2193 5.3332 5.3445 6.1406 6.1606 6.2685 6.2804 6.4716 6.4766 6.5041 6.5103 6.8285 6.8348 8.3199 8.3435 9.6214 9.6438 9.7266 9.7281 10.8933 10.9012 k = 0.0431 0.4683 0.5044 ( 6154 PWs) bands (ev): -7.8842 -7.8840 -7.2384 -7.2378 -6.9194 -6.9191 -6.8939 -6.8932 -2.0579 -2.0562 1.0517 1.0549 1.1906 1.2000 1.6232 1.6390 1.8677 1.9215 2.1127 2.1147 2.2459 2.3114 2.7752 2.7817 2.8246 2.8365 2.8710 2.8780 3.0064 3.0205 3.1111 3.1117 4.0629 4.0687 4.0969 4.1260 4.2256 4.2351 4.3313 4.3446 4.6387 4.6610 4.7395 4.7432 4.9077 4.9501 5.0521 5.0681 5.2039 5.2454 5.3392 5.3522 6.1331 6.1559 6.2806 6.2920 6.4797 6.4864 6.5103 6.5185 6.8168 6.8244 8.2979 8.3270 9.6196 9.6475 9.7348 9.7368 10.8537 10.8643 k = 0.0517 0.4562 0.5192 ( 6152 PWs) bands (ev): -7.8803 -7.8801 -7.2353 -7.2345 -6.9237 -6.9234 -6.8963 -6.8954 -2.0618 -2.0599 1.0421 1.0458 1.1601 1.1694 1.5771 1.5942 1.8943 1.9479 2.1245 2.1326 2.2879 2.3611 2.7748 2.7836 2.8242 2.8374 2.8713 2.8792 3.0039 3.0212 3.1120 3.1130 4.0618 4.0658 4.1019 4.1340 4.2273 4.2389 4.3301 4.3466 4.6363 4.6626 4.7289 4.7351 4.9084 4.9476 5.0474 5.0657 5.2333 5.2729 5.3465 5.3603 6.1260 6.1515 6.2933 6.3037 6.4903 6.4986 6.5178 6.5288 6.8030 6.8116 8.2732 8.3074 9.6177 9.6509 9.7444 9.7470 10.8076 10.8212 k = 0.0603 0.4441 0.5341 ( 6156 PWs) bands (ev): -7.8758 -7.8756 -7.2316 -7.2307 -6.9287 -6.9284 -6.8991 -6.8980 -2.0662 -2.0640 1.0311 1.0353 1.1284 1.1373 1.5295 1.5464 1.9244 1.9782 2.1381 2.1510 2.3313 2.4108 2.7740 2.7857 2.8243 2.8381 2.8718 2.8805 3.0011 3.0218 3.1129 3.1143 4.0612 4.0634 4.1071 4.1423 4.2293 4.2430 4.3289 4.3488 4.6336 4.6619 4.7196 4.7262 4.9118 4.9464 5.0428 5.0626 5.2653 5.3002 5.3558 5.3686 6.1195 6.1478 6.3064 6.3153 6.5034 6.5128 6.5269 6.5415 6.7871 6.7964 8.2463 8.2853 9.6158 9.6540 9.7552 9.7584 10.7562 10.7728 k = 0.0690 0.4320 0.5489 ( 6146 PWs) bands (ev): -7.8707 -7.8704 -7.2274 -7.2264 -6.9345 -6.9340 -6.9023 -6.9011 -2.0711 -2.0687 1.0186 1.0233 1.0961 1.1044 1.4812 1.4974 1.9564 2.0108 2.1533 2.1705 2.3748 2.4598 2.7729 2.7880 2.8250 2.8389 2.8726 2.8819 2.9982 3.0224 3.1138 3.1158 4.0610 4.0616 4.1125 4.1510 4.2316 4.2473 4.3277 4.3510 4.6303 4.6568 4.7145 4.7169 4.9174 4.9468 5.0384 5.0591 5.2992 5.3246 5.3691 5.3769 6.1137 6.1450 6.3194 6.3268 6.5185 6.5282 6.5378 6.5574 6.7696 6.7792 8.2179 8.2614 9.6137 9.6567 9.7671 9.7707 10.7005 10.7202 k = 0.0776 0.4200 0.5637 ( 6150 PWs) bands (ev): -7.8650 -7.8647 -7.2227 -7.2215 -6.9408 -6.9403 -6.9059 -6.9045 -2.0764 -2.0737 1.0049 1.0099 1.0640 1.0715 1.4330 1.4480 1.9896 2.0445 2.1701 2.1911 2.4176 2.5074 2.7713 2.7904 2.8264 2.8397 2.8736 2.8834 2.9951 3.0231 3.1146 3.1172 4.0603 4.0613 4.1180 4.1599 4.2340 4.2519 4.3265 4.3532 4.6260 4.6465 4.7079 4.7143 4.9248 4.9489 5.0343 5.0554 5.3338 5.3418 5.3851 5.3901 6.1088 6.1431 6.3324 6.3383 6.5339 6.5438 6.5519 6.5770 6.7510 6.7600 8.1886 8.2360 9.6113 9.6588 9.7796 9.7837 10.6414 10.6644 k = 0.0862 0.4079 0.5786 ( 6140 PWs) bands (ev): -7.8587 -7.8584 -7.2175 -7.2162 -6.9477 -6.9472 -6.9099 -6.9084 -2.0820 -2.0792 0.9898 0.9950 1.0329 1.0395 1.3853 1.3988 2.0233 2.0788 2.1885 2.2129 2.4591 2.5534 2.7695 2.7931 2.8283 2.8405 2.8749 2.8848 2.9919 3.0239 3.1152 3.1186 4.0596 4.0621 4.1237 4.1690 4.2366 4.2565 4.3255 4.3555 4.6203 4.6328 4.6998 4.7179 4.9336 4.9527 5.0308 5.0517 5.3517 5.3666 5.3954 5.4182 6.1048 6.1422 6.3455 6.3502 6.5465 6.5587 6.5714 6.6004 6.7322 6.7397 8.1587 8.2097 9.6086 9.6602 9.7924 9.7972 10.5801 10.6064 k = 0.0948 0.3958 0.5934 ( 6144 PWs) bands (ev): -7.8520 -7.8517 -7.2117 -7.2103 -6.9552 -6.9546 -6.9143 -6.9126 -2.0878 -2.0849 0.9730 0.9781 1.0038 1.0091 1.3382 1.3502 2.0571 2.1131 2.2081 2.2358 2.4988 2.5971 2.7674 2.7961 2.8308 2.8415 2.8764 2.8863 2.9888 3.0249 3.1155 3.1199 4.0595 4.0632 4.1294 4.1781 4.2394 4.2610 4.3247 4.3577 4.6127 4.6174 4.6933 4.7234 4.9435 4.9578 5.0280 5.0481 5.3575 5.3865 5.4178 5.4498 6.1017 6.1421 6.3590 6.3625 6.5551 6.5721 6.5953 6.6270 6.7150 6.7193 8.1287 8.1827 9.6054 9.6609 9.8054 9.8107 10.5175 10.5469 k = 0.1034 0.3838 0.6083 ( 6144 PWs) bands (ev): -7.8449 -7.8446 -7.2056 -7.2040 -6.9631 -6.9625 -6.9190 -6.9173 -2.0938 -2.0908 0.9537 0.9575 0.9788 0.9816 1.2921 1.3026 2.0906 2.1470 2.2289 2.2594 2.5365 2.6381 2.7653 2.7994 2.8337 2.8427 2.8781 2.8878 2.9859 3.0262 3.1157 3.1211 4.0599 4.0648 4.1352 4.1871 4.2423 4.2653 4.3244 4.3598 4.6013 4.6030 4.6888 4.7298 4.9543 4.9641 5.0261 5.0451 5.3606 5.3935 5.4521 5.4829 6.0997 6.1428 6.3734 6.3757 6.5586 6.5823 6.6217 6.6555 6.7015 6.7023 8.0988 8.1554 9.6016 9.6606 9.8181 9.8240 10.4545 10.4870 k = 0.1121 0.3717 0.6231 ( 6148 PWs) bands (ev): -7.8374 -7.8370 -7.1990 -7.1973 -6.9714 -6.9708 -6.9242 -6.9223 -2.0999 -2.0968 0.9313 0.9331 0.9584 0.9585 1.2471 1.2561 2.1236 2.1803 2.2505 2.2837 2.5718 2.6760 2.7632 2.8031 2.8369 2.8442 2.8800 2.8893 2.9833 3.0279 3.1155 3.1220 4.0609 4.0667 4.1410 4.1957 4.2457 4.2691 4.3247 4.3619 4.5851 4.5913 4.6861 4.7362 4.9657 4.9713 5.0252 5.0427 5.3619 5.3965 5.4888 5.5166 6.0987 6.1439 6.3891 6.3900 6.5545 6.5853 6.6487 6.6813 6.6947 6.6980 8.0694 8.1279 9.5971 9.6591 9.8304 9.8370 10.3921 10.4275 k = 0.1207 0.3596 0.6379 ( 6152 PWs) bands (ev): -7.8296 -7.8292 -7.1920 -7.1902 -6.9800 -6.9794 -6.9297 -6.9277 -2.1059 -2.1028 0.9067 0.9077 0.9387 0.9406 1.2035 1.2110 2.1560 2.2128 2.2728 2.3081 2.6044 2.7100 2.7614 2.8073 2.8404 2.8460 2.8820 2.8907 2.9813 3.0301 3.1149 3.1226 4.0625 4.0689 4.1467 4.2034 4.2498 4.2724 4.3259 4.3640 4.5692 4.5780 4.6848 4.7420 4.9775 4.9791 5.0256 5.0414 5.3614 5.3973 5.5256 5.5502 6.0986 6.1453 6.4056 6.4064 6.5416 6.5768 6.6735 6.6871 6.7060 6.7201 8.0405 8.1004 9.5917 9.6563 9.8419 9.8492 10.3311 10.3691 k = 0.1293 0.3475 0.6528 ( 6154 PWs) bands (ev): -7.8216 -7.8212 -7.1846 -7.1827 -6.9889 -6.9882 -6.9355 -6.9335 -2.1120 -2.1089 0.8822 0.8830 0.9209 0.9237 1.1612 1.1673 2.1875 2.2442 2.2953 2.3325 2.6341 2.7394 2.7601 2.8121 2.8440 2.8485 2.8842 2.8920 2.9803 3.0329 3.1140 3.1228 4.0646 4.0715 4.1522 4.2096 4.2550 4.2750 4.3280 4.3661 4.5538 4.5638 4.6843 4.7468 4.9874 4.9897 5.0275 5.0415 5.3593 5.3963 5.5620 5.5834 6.0994 6.1469 6.4222 6.4254 6.5216 6.5585 6.6935 6.6978 6.7268 6.7514 8.0122 8.0729 9.5853 9.6518 9.8524 9.8606 10.2725 10.3126 k = 0.1379 0.3355 0.6676 ( 6156 PWs) bands (ev): -7.8135 -7.8131 -7.1768 -7.1749 -6.9978 -6.9972 -6.9418 -6.9396 -2.1178 -2.1148 0.8588 0.8598 0.9040 0.9073 1.1206 1.1254 2.2180 2.2745 2.3180 2.3565 2.6609 2.7593 2.7634 2.8174 2.8477 2.8515 2.8866 2.8931 2.9809 3.0363 3.1127 3.1225 4.0673 4.0745 4.1574 4.2140 4.2617 4.2770 4.3310 4.3683 4.5390 4.5489 4.6841 4.7500 4.9959 5.0020 5.0311 5.0431 5.3560 5.3936 5.5975 5.6159 6.1009 6.1484 6.4389 6.4458 6.4979 6.5359 6.7119 6.7144 6.7540 6.7825 7.9846 8.0454 9.5776 9.6453 9.8618 9.8708 10.2170 10.2587 k = 0.1466 0.3234 0.6824 ( 6152 PWs) bands (ev): -7.8053 -7.8049 -7.1688 -7.1668 -7.0068 -7.0062 -6.9483 -6.9460 -2.1235 -2.1206 0.8371 0.8386 0.8880 0.8914 1.0817 1.0853 2.2473 2.3033 2.3404 2.3797 2.6847 2.7593 2.7819 2.8228 2.8516 2.8551 2.8894 2.8941 2.9836 3.0404 3.1109 3.1218 4.0706 4.0777 4.1621 4.2162 4.2698 4.2787 4.3350 4.3706 4.5249 4.5337 4.6839 4.7515 5.0045 5.0142 5.0363 5.0464 5.3514 5.3894 5.6317 5.6473 6.1031 6.1497 6.4517 6.4586 6.4816 6.5164 6.7314 6.7343 6.7825 6.8127 7.9578 8.0180 9.5688 9.6368 9.8699 9.8797 10.1653 10.2079 k = 0.1552 0.3113 0.6973 ( 6146 PWs) bands (ev): -7.7972 -7.7968 -7.1605 -7.1583 -7.0157 -7.0151 -6.9552 -6.9528 -2.1289 -2.1261 0.8175 0.8194 0.8727 0.8761 1.0446 1.0471 2.2754 2.3306 2.3623 2.4018 2.7055 2.7602 2.7955 2.8279 2.8555 2.8586 2.8924 2.8950 2.9891 3.0452 3.1087 3.1206 4.0744 4.0812 4.1660 4.2165 4.2790 4.2804 4.3397 4.3732 4.5116 4.5184 4.6832 4.7510 5.0132 5.0262 5.0430 5.0514 5.3459 5.3838 5.6643 5.6773 6.1057 6.1507 6.4376 6.4481 6.5003 6.5140 6.7522 6.7560 6.8103 6.8411 7.9318 7.9908 9.5587 9.6259 9.8765 9.8873 10.1183 10.1606 k = 0.1638 0.2992 0.7121 ( 6142 PWs) bands (ev): -7.7892 -7.7888 -7.1519 -7.1497 -7.0245 -7.0238 -6.9623 -6.9599 -2.1341 -2.1314 0.8001 0.8025 0.8582 0.8616 1.0094 1.0109 2.3021 2.3560 2.3835 2.4225 2.7234 2.7619 2.8053 2.8321 2.8594 2.8615 2.8951 2.8958 2.9973 3.0504 3.1061 3.1189 4.0788 4.0850 4.1690 4.2151 4.2824 4.2890 4.3449 4.3760 4.4991 4.5033 4.6820 4.7486 5.0222 5.0379 5.0509 5.0580 5.3396 5.3771 5.6949 5.7056 6.1087 6.1513 6.4103 6.4274 6.5271 6.5305 6.7740 6.7787 6.8362 6.8672 7.9067 7.9638 9.5476 9.6128 9.8818 9.8933 10.0762 10.1174 k = 0.1724 0.2872 0.7269 ( 6134 PWs) bands (ev): -7.7815 -7.7812 -7.1432 -7.1409 -7.0329 -7.0323 -6.9697 -6.9673 -2.1388 -2.1363 0.7851 0.7878 0.8446 0.8479 0.9764 0.9770 2.3272 2.3794 2.4037 2.4415 2.7387 2.7648 2.8126 2.8355 2.8630 2.8637 2.8960 2.8976 3.0077 3.0560 3.1032 3.1165 4.0838 4.0891 4.1708 4.2123 4.2851 4.2993 4.3504 4.3790 4.4875 4.4886 4.6804 4.7444 5.0315 5.0492 5.0594 5.0658 5.3329 5.3695 5.7234 5.7319 6.1118 6.1515 6.3833 6.4015 6.5544 6.5560 6.7962 6.8018 6.8596 6.8904 7.8826 7.9371 9.5357 9.5976 9.8857 9.8980 10.0394 10.0782 k = 0.1810 0.2751 0.7418 ( 6134 PWs) bands (ev): -7.7742 -7.7739 -7.1343 -7.1320 -7.0408 -7.0403 -6.9774 -6.9749 -2.1431 -2.1408 0.7726 0.7756 0.8320 0.8351 0.9453 0.9455 2.3505 2.4004 2.4228 2.4586 2.7516 2.7686 2.8178 2.8381 2.8645 2.8673 2.8963 2.8991 3.0194 3.0617 3.1000 3.1137 4.0893 4.0935 4.1713 4.2083 4.2888 4.3096 4.3560 4.3821 4.4742 4.4767 4.6784 4.7387 5.0413 5.0601 5.0683 5.0743 5.3259 5.3611 5.7494 5.7560 6.1151 6.1513 6.3575 6.3752 6.5812 6.5862 6.8185 6.8246 6.8799 6.9102 7.8598 7.9109 9.5234 9.5809 9.8882 9.9013 10.0080 10.0432 k = 0.1897 0.2630 0.7566 ( 6126 PWs) bands (ev): -7.7674 -7.7671 -7.1253 -7.1229 -7.0482 -7.0477 -6.9852 -6.9827 -2.1470 -2.1450 0.7626 0.7659 0.8206 0.8235 0.9160 0.9170 2.3720 2.4187 2.4406 2.4736 2.7623 2.7734 2.8213 2.8395 2.8660 2.8711 2.8965 2.9002 3.0315 3.0673 3.0966 3.1104 4.0953 4.0982 4.1704 4.2032 4.2937 4.3197 4.3616 4.3852 4.4604 4.4666 4.6762 4.7318 5.0513 5.0706 5.0771 5.0829 5.3189 5.3522 5.7726 5.7776 6.1184 6.1508 6.3337 6.3501 6.6094 6.6168 6.8404 6.8468 6.8968 6.9262 7.8386 7.8856 9.5113 9.5633 9.8896 9.9034 9.9819 10.0123 k = 0.1983 0.2509 0.7714 ( 6122 PWs) bands (ev): -7.7612 -7.7609 -7.1163 -7.1139 -7.0550 -7.0545 -6.9931 -6.9906 -2.1505 -2.1486 0.7552 0.7586 0.8104 0.8130 0.8893 0.8909 2.3915 2.4341 2.4570 2.4866 2.7710 2.7794 2.8230 2.8392 2.8684 2.8747 2.8968 2.9009 3.0432 3.0725 3.0933 3.1066 4.1018 4.1032 4.1683 4.1973 4.2997 4.3293 4.3669 4.3881 4.4475 4.4573 4.6742 4.7240 5.0615 5.0803 5.0856 5.0911 5.3122 5.3431 5.7929 5.7966 6.1218 6.1500 6.3124 6.3270 6.6378 6.6471 6.8611 6.8675 6.9100 6.9381 7.8192 7.8615 9.4999 9.5456 9.8899 9.9044 9.9607 9.9855 k = 0.2069 0.2389 0.7863 ( 6124 PWs) bands (ev): -7.7557 -7.7554 -7.1074 -7.1051 -7.0609 -7.0605 -7.0011 -6.9986 -2.1534 -2.1518 0.7503 0.7538 0.8014 0.8037 0.8653 0.8674 2.4088 2.4463 2.4719 2.4975 2.7779 2.7865 2.8232 2.8372 2.8718 2.8781 2.8971 2.9015 3.0538 3.0771 3.0901 3.1026 4.1083 4.1088 4.1650 4.1905 4.3068 4.3381 4.3718 4.3905 4.4356 4.4487 4.6725 4.7157 5.0715 5.0892 5.0934 5.0985 5.3062 5.3339 5.8101 5.8127 6.1250 6.1488 6.2940 6.3065 6.6657 6.6761 6.8803 6.8862 6.9198 6.9461 7.8023 7.8391 9.4899 9.5286 9.8893 9.9044 9.9442 9.9628 k = 0.2155 0.2268 0.8011 ( 6126 PWs) bands (ev): -7.7510 -7.7508 -7.0988 -7.0965 -7.0659 -7.0656 -7.0089 -7.0066 -2.1558 -2.1545 0.7480 0.7515 0.7936 0.7956 0.8443 0.8468 2.4238 2.4552 2.4849 2.5061 2.7837 2.7939 2.8220 2.8342 2.8756 2.8811 2.8976 2.9020 3.0631 3.0808 3.0873 3.0985 4.1138 4.1161 4.1609 4.1832 4.3148 4.3457 4.3761 4.3919 4.4254 4.4408 4.6717 4.7074 5.0810 5.0967 5.1003 5.1048 5.3013 5.3250 5.8242 5.8259 6.1281 6.1474 6.2789 6.2891 6.6920 6.7028 6.8971 6.9021 6.9265 6.9502 7.7882 7.8188 9.4817 9.5131 9.8881 9.9035 9.9321 9.9441 k = 0.2241 0.2147 0.8160 ( 6126 PWs) bands (ev): -7.7473 -7.7471 -7.0907 -7.0885 -7.0698 -7.0696 -7.0163 -7.0142 -2.1576 -2.1566 0.7481 0.7514 0.7868 0.7883 0.8269 0.8295 2.4365 2.4609 2.4961 2.5125 2.7891 2.8011 2.8193 2.8307 2.8791 2.8834 2.8985 2.9024 3.0709 3.0834 3.0852 3.0946 4.1194 4.1238 4.1561 4.1754 4.3233 4.3516 4.3797 4.3915 4.4182 4.4336 4.6718 4.6993 5.0896 5.1024 5.1061 5.1098 5.2978 5.3167 5.8351 5.8361 6.1311 6.1457 6.2672 6.2749 6.7156 6.7256 6.9105 6.9146 6.9315 6.9513 7.7776 7.8012 9.4758 9.4995 9.8867 9.9014 9.9239 9.9300 k = 0.2328 0.2026 0.8308 ( 6122 PWs) bands (ev): -7.7445 -7.7444 -7.0836 -7.0817 -7.0726 -7.0725 -7.0228 -7.0210 -2.1589 -2.1582 0.7504 0.7533 0.7809 0.7817 0.8138 0.8160 2.4469 2.4635 2.5052 2.5163 2.7944 2.8077 2.8152 2.8270 2.8819 2.8849 2.8996 2.9027 3.0771 3.0838 3.0850 3.0911 4.1251 4.1313 4.1512 4.1673 4.3322 4.3546 4.3825 4.3893 4.4150 4.4273 4.6731 4.6919 5.0970 5.1061 5.1106 5.1132 5.2961 5.3094 5.8429 5.8434 6.1340 6.1438 6.2591 6.2644 6.7350 6.7430 6.9193 6.9228 6.9363 6.9502 7.7708 7.7869 9.4725 9.4884 9.8859 9.8978 9.9187 9.9209 k = 0.2414 0.1906 0.8456 ( 6120 PWs) bands (ev): -7.7428 -7.7428 -7.0785 -7.0774 -7.0739 -7.0737 -7.0273 -7.0263 -2.1596 -2.1592 0.7542 0.7562 0.7757 0.7757 0.8060 0.8073 2.4549 2.4633 2.5119 2.5175 2.7997 2.8103 2.8136 2.8232 2.8840 2.8854 2.9009 2.9025 3.0816 3.0838 3.0849 3.0883 4.1308 4.1372 4.1479 4.1592 4.3408 4.3536 4.3843 4.3869 4.4153 4.4219 4.6758 4.6853 5.1026 5.1074 5.1137 5.1150 5.2965 5.3033 5.8475 5.8477 6.1367 6.1416 6.2548 6.2574 6.7488 6.7533 6.9239 6.9263 6.9414 6.9483 7.7682 7.7764 9.4721 9.4800 9.8865 9.8931 9.9159 9.9165 k = 0.2500 0.1785 0.8605 ( 6108 PWs) bands (ev): -7.7423 -7.7423 -7.0769 -7.0769 -7.0736 -7.0736 -7.0287 -7.0287 -2.1597 -2.1597 0.7573 0.7573 0.7729 0.7729 0.8039 0.8039 2.4604 2.4604 2.5161 2.5161 2.8050 2.8050 2.8188 2.8188 2.8851 2.8851 2.9020 2.9020 3.0837 3.0837 3.0859 3.0859 4.1359 4.1359 4.1517 4.1517 4.3485 4.3485 4.3855 4.3855 4.4178 4.4178 4.6799 4.6799 5.1063 5.1063 5.1152 5.1152 5.2990 5.2990 5.8491 5.8491 6.1393 6.1393 6.2543 6.2543 6.7552 6.7552 6.9262 6.9262 6.9455 6.9455 7.7701 7.7701 9.4745 9.4745 9.8890 9.8890 9.9152 9.9152 k = 0.2500 0.1785 0.8605 ( 6108 PWs) bands (ev): -7.7423 -7.7423 -7.0769 -7.0769 -7.0736 -7.0736 -7.0287 -7.0287 -2.1597 -2.1597 0.7573 0.7573 0.7729 0.7729 0.8039 0.8039 2.4604 2.4604 2.5161 2.5161 2.8050 2.8050 2.8188 2.8188 2.8851 2.8851 2.9020 2.9020 3.0837 3.0837 3.0859 3.0859 4.1359 4.1359 4.1517 4.1517 4.3485 4.3485 4.3855 4.3855 4.4178 4.4178 4.6799 4.6799 5.1063 5.1063 5.1152 5.1152 5.2990 5.2990 5.8491 5.8491 6.1393 6.1393 6.2543 6.2543 6.7552 6.7552 6.9262 6.9262 6.9455 6.9455 7.7701 7.7701 9.4745 9.4745 9.8890 9.8890 9.9152 9.9152 k = 0.2639 0.1884 0.8483 ( 6114 PWs) bands (ev): -7.7424 -7.7424 -7.0778 -7.0776 -7.0733 -7.0731 -7.0284 -7.0277 -2.1597 -2.1595 0.7413 0.7419 0.7697 0.7699 0.8256 0.8259 2.4432 2.4467 2.5278 2.5289 2.7884 2.7917 2.8307 2.8323 2.8864 2.8870 2.9017 2.9025 3.0827 3.0832 3.0858 3.0875 4.1331 4.1374 4.1481 4.1565 4.3443 4.3517 4.3840 4.3853 4.4167 4.4205 4.6774 4.6832 5.0841 5.0864 5.1362 5.1368 5.2974 5.3009 5.8487 5.8489 6.1347 6.1378 6.2585 6.2598 6.7523 6.7551 6.9242 6.9245 6.9460 6.9487 7.7660 7.7706 9.4736 9.4787 9.8244 9.8284 9.9783 9.9785 k = 0.2778 0.1983 0.8361 ( 6106 PWs) bands (ev): -7.7429 -7.7429 -7.0786 -7.0784 -7.0738 -7.0734 -7.0269 -7.0259 -2.1595 -2.1592 0.7127 0.7128 0.7717 0.7731 0.8610 0.8618 2.4120 2.4171 2.5488 2.5501 2.7656 2.7718 2.8453 2.8453 2.8914 2.8920 2.9027 2.9038 3.0808 3.0810 3.0879 3.0899 4.1294 4.1374 4.1456 4.1628 4.3398 4.3538 4.3808 4.3835 4.4172 4.4243 4.6756 4.6875 5.0589 5.0625 5.1616 5.1624 5.2963 5.3027 5.8478 5.8480 6.1257 6.1318 6.2715 6.2741 6.7465 6.7520 6.9218 6.9223 6.9475 6.9516 7.7581 7.7670 9.4744 9.4863 9.7503 9.7594 10.0526 10.0530 k = 0.2917 0.2083 0.8239 ( 6113 PWs) bands (ev): -7.7436 -7.7436 -7.0793 -7.0789 -7.0749 -7.0745 -7.0249 -7.0236 -2.1591 -2.1587 0.6840 0.6846 0.7760 0.7784 0.8998 0.9011 2.3759 2.3824 2.5661 2.5725 2.7420 2.7533 2.8527 2.8547 2.8953 2.8974 2.9088 2.9091 3.0783 3.0790 3.0906 3.0929 4.1248 4.1366 4.1439 4.1695 4.3352 4.3545 4.3764 4.3805 4.4188 4.4284 4.6743 4.6929 5.0346 5.0388 5.1871 5.1881 5.2956 5.3040 5.8462 5.8466 6.1150 6.1239 6.2907 6.2947 6.7382 6.7462 6.9197 6.9210 6.9480 6.9533 7.7463 7.7591 9.4743 9.4954 9.6805 9.6976 10.1254 10.1260 k = 0.3056 0.2182 0.8117 ( 6109 PWs) bands (ev): -7.7445 -7.7444 -7.0799 -7.0793 -7.0761 -7.0760 -7.0226 -7.0212 -2.1584 -2.1578 0.6576 0.6586 0.7819 0.7854 0.9406 0.9423 2.3369 2.3448 2.5779 2.5926 2.7189 2.7386 2.8560 2.8594 2.8956 2.8993 2.9197 2.9208 3.0757 3.0769 3.0939 3.0966 4.1197 4.1354 4.1429 4.1761 4.3307 4.3537 4.3717 4.3768 4.4209 4.4324 4.6738 4.6992 5.0115 5.0159 5.2116 5.2130 5.2949 5.3048 5.8441 5.8446 6.1049 6.1162 6.3142 6.3199 6.7281 6.7380 6.9187 6.9203 6.9471 6.9537 7.7307 7.7468 9.4670 9.4997 9.6229 9.6505 10.1949 10.1955 k = 0.3194 0.2281 0.7995 ( 6115 PWs) bands (ev): -7.7454 -7.7453 -7.0805 -7.0796 -7.0775 -7.0770 -7.0204 -7.0190 -2.1573 -2.1566 0.6339 0.6354 0.7892 0.7937 0.9830 0.9852 2.2958 2.3051 2.5821 2.6089 2.6982 2.7301 2.8572 2.8612 2.8947 2.8999 2.9317 2.9324 3.0734 3.0749 3.0977 3.1011 4.1141 4.1338 4.1421 4.1824 4.3262 4.3506 4.3679 4.3726 4.4229 4.4359 4.6740 4.7064 4.9900 4.9941 5.2337 5.2363 5.2946 5.3049 5.8414 5.8420 6.0967 6.1099 6.3409 6.3482 6.7166 6.7281 6.9184 6.9195 6.9447 6.9530 7.7117 7.7305 9.4443 9.4811 9.5960 9.6270 10.2597 10.2601 k = 0.3333 0.2380 0.7873 ( 6118 PWs) bands (ev): -7.7464 -7.7463 -7.0815 -7.0804 -7.0782 -7.0773 -7.0186 -7.0174 -2.1558 -2.1550 0.6131 0.6149 0.7977 0.8033 1.0267 1.0293 2.2529 2.2638 2.5782 2.6181 2.6835 2.7290 2.8574 2.8615 2.8934 2.9001 2.9417 2.9418 3.0716 3.0734 3.1020 3.1064 4.1083 4.1319 4.1415 4.1883 4.3219 4.3451 4.3655 4.3683 4.4245 4.4389 4.6750 4.7143 4.9700 4.9738 5.2516 5.2569 5.2957 5.3047 5.8383 5.8390 6.0911 6.1058 6.3699 6.3788 6.7044 6.7169 6.9183 6.9184 6.9411 6.9514 7.6897 7.7105 9.4063 9.4360 9.6041 9.6276 10.3181 10.3181 k = 0.3472 0.2479 0.7752 ( 6114 PWs) bands (ev): -7.7474 -7.7473 -7.0826 -7.0819 -7.0779 -7.0770 -7.0174 -7.0163 -2.1539 -2.1530 0.5953 0.5974 0.8074 0.8140 1.0714 1.0742 2.2088 2.2214 2.5677 2.6151 2.6802 2.7340 2.8569 2.8607 2.8918 2.9002 2.9478 2.9489 3.0706 3.0726 3.1068 3.1122 4.1023 4.1299 4.1410 4.1935 4.3176 4.3380 4.3639 4.3640 4.4257 4.4413 4.6769 4.7230 4.9519 4.9550 5.2622 5.2734 5.3003 5.3049 5.8347 5.8354 6.0886 6.1043 6.4006 6.4108 6.6917 6.7048 6.9168 6.9182 6.9365 6.9492 7.6655 7.6876 9.3617 9.3839 9.6277 9.6438 10.3684 10.3689 k = 0.3611 0.2578 0.7630 ( 6122 PWs) bands (ev): -7.7483 -7.7482 -7.0838 -7.0834 -7.0771 -7.0763 -7.0168 -7.0159 -2.1514 -2.1505 0.5806 0.5829 0.8179 0.8255 1.1168 1.1198 2.1638 2.1781 2.5533 2.6022 2.6863 2.7427 2.8560 2.8593 2.8901 2.9001 2.9504 2.9524 3.0705 3.0725 3.1118 3.1184 4.0963 4.1276 4.1405 4.1981 4.3133 4.3302 4.3597 4.3627 4.4265 4.4432 4.6794 4.7321 4.9355 4.9378 5.2646 5.2826 5.3080 5.3086 5.8306 5.8314 6.0892 6.1053 6.4321 6.4432 6.6788 6.6922 6.9147 6.9177 6.9311 6.9465 7.6400 7.6629 9.3172 9.3340 9.6579 9.6688 10.4103 10.4116 k = 0.3750 0.2678 0.7508 ( 6126 PWs) bands (ev): -7.7491 -7.7490 -7.0850 -7.0849 -7.0759 -7.0752 -7.0168 -7.0162 -2.1485 -2.1476 0.5689 0.5715 0.8292 0.8379 1.1624 1.1655 2.1184 2.1345 2.5375 2.5861 2.6954 2.7532 2.8547 2.8573 2.8884 2.9000 2.9498 2.9525 3.0713 3.0732 3.1169 3.1247 4.0903 4.1250 4.1400 4.2020 4.3090 4.3221 4.3558 4.3614 4.4268 4.4445 4.6828 4.7418 4.9210 4.9222 5.2617 5.2833 5.3148 5.3171 5.8263 5.8270 6.0929 6.1089 6.4634 6.4748 6.6659 6.6793 6.9122 6.9166 6.9254 6.9434 7.6146 7.6376 9.2762 9.2888 9.6917 9.6991 10.4438 10.4459 k = 0.3889 0.2777 0.7386 ( 6136 PWs) bands (ev): -7.7499 -7.7499 -7.0866 -7.0860 -7.0744 -7.0737 -7.0175 -7.0172 -2.1450 -2.1441 0.5602 0.5630 0.8412 0.8509 1.2079 1.2109 2.0729 2.0912 2.5217 2.5702 2.7043 2.7642 2.8531 2.8549 2.8866 2.8996 2.9464 2.9495 3.0728 3.0746 3.1218 3.1307 4.0843 4.1222 4.1394 4.2054 4.3046 4.3141 4.3522 4.3596 4.4268 4.4454 4.6869 4.7517 4.9081 4.9083 5.2558 5.2793 5.3216 5.3234 5.8215 5.8223 6.0993 6.1148 6.4933 6.5041 6.6532 6.6661 6.9098 6.9147 6.9196 6.9400 7.5906 7.6130 9.2403 9.2495 9.7278 9.7327 10.4694 10.4725 k = 0.4028 0.2876 0.7264 ( 6135 PWs) bands (ev): -7.7507 -7.7506 -7.0881 -7.0872 -7.0726 -7.0719 -7.0188 -7.0187 -2.1411 -2.1402 0.5546 0.5577 0.8536 0.8644 1.2526 1.2554 2.0281 2.0486 2.5070 2.5558 2.7118 2.7747 2.8512 2.8522 2.8849 2.8986 2.9408 2.9442 3.0747 3.0765 3.1265 3.1362 4.0785 4.1191 4.1387 4.2082 4.3003 4.3064 4.3490 4.3576 4.4266 4.4460 4.6917 4.7620 4.8961 4.8970 5.2481 5.2730 5.3259 5.3265 5.8165 5.8171 6.1081 6.1226 6.5207 6.5296 6.6408 6.6528 6.9075 6.9113 6.9149 6.9362 7.5695 7.5908 9.2104 9.2168 9.7652 9.7682 10.4880 10.4920 k = 0.4167 0.2975 0.7142 ( 6141 PWs) bands (ev): -7.7514 -7.7513 -7.0899 -7.0884 -7.0705 -7.0698 -7.0208 -7.0203 -2.1367 -2.1358 0.5520 0.5553 0.8664 0.8783 1.2960 1.2981 1.9847 2.0077 2.4939 2.5436 2.7173 2.7843 2.8490 2.8494 2.8834 2.8965 2.9335 2.9377 3.0768 3.0788 3.1307 3.1409 4.0728 4.1157 4.1377 4.2106 4.2958 4.2992 4.3461 4.3551 4.4261 4.4462 4.6972 4.7725 4.8853 4.8874 5.2389 5.2651 5.3264 5.3272 5.8112 5.8116 6.1185 6.1318 6.5444 6.5499 6.6291 6.6394 6.9054 6.9055 6.9118 6.9321 7.5530 7.5727 9.1869 9.1910 9.8029 9.8047 10.5005 10.5054 k = 0.4306 0.3074 0.7021 ( 6147 PWs) bands (ev): -7.7521 -7.7520 -7.0919 -7.0899 -7.0681 -7.0673 -7.0229 -7.0220 -2.1319 -2.1310 0.5524 0.5559 0.8794 0.8925 1.3369 1.3381 1.9435 1.9695 2.4828 2.5338 2.7203 2.7923 2.8465 2.8466 2.8819 2.8925 2.9250 2.9312 3.0787 3.0813 3.1345 3.1446 4.0674 4.1122 4.1366 4.2127 4.2914 4.2924 4.3435 4.3521 4.4255 4.4463 4.7032 4.7830 4.8761 4.8792 5.2284 5.2562 5.3232 5.3257 5.8056 5.8058 6.1299 6.1419 6.5634 6.5634 6.6187 6.6260 6.8986 6.9030 6.9090 6.9275 7.5424 7.5601 9.1701 9.1723 9.8401 9.8411 10.5076 10.5132 k = 0.4444 0.3173 0.6899 ( 6139 PWs) bands (ev): -7.7528 -7.7528 -7.0943 -7.0918 -7.0653 -7.0646 -7.0251 -7.0238 -2.1267 -2.1260 0.5558 0.5596 0.8926 0.9069 1.3740 1.3742 1.9059 1.9353 2.4739 2.5267 2.7205 2.7983 2.8438 2.8439 2.8807 2.8859 2.9157 2.9262 3.0803 3.0839 3.1378 3.1472 4.0623 4.1085 4.1353 4.2147 4.2863 4.2870 4.3412 4.3488 4.4249 4.4462 4.7097 4.7936 4.8683 4.8723 5.2169 5.2464 5.3174 5.3216 5.7997 5.7997 6.1418 6.1524 6.5689 6.5772 6.6108 6.6128 6.8902 6.8998 6.9063 6.9226 7.5389 7.5540 9.1601 9.1607 9.8760 9.8764 10.5097 10.5158 k = 0.4583 0.3273 0.6777 ( 6135 PWs) bands (ev): -7.7537 -7.7537 -7.0972 -7.0943 -7.0623 -7.0615 -7.0269 -7.0252 -2.1214 -2.1207 0.5620 0.5661 0.9061 0.9215 1.4040 1.4060 1.8737 1.9067 2.4672 2.5222 2.7179 2.8013 2.8410 2.8415 2.8769 2.8796 2.9060 2.9231 3.0815 3.0865 3.1406 3.1489 4.0576 4.1047 4.1338 4.2166 4.2808 4.2828 4.3390 4.3449 4.4243 4.4459 4.7165 4.8041 4.8618 4.8667 5.2046 5.2360 5.3095 5.3153 5.7933 5.7935 6.1533 6.1626 6.5657 6.5838 6.6017 6.6062 6.8801 6.8949 6.9038 6.9176 7.5426 7.5551 9.1563 9.1567 9.9097 9.9098 10.5070 10.5133 k = 0.4722 0.3372 0.6655 ( 6136 PWs) bands (ev): -7.7548 -7.7548 -7.1008 -7.0975 -7.0589 -7.0581 -7.0281 -7.0262 -2.1158 -2.1152 0.5711 0.5754 0.9197 0.9364 1.4261 1.4299 1.8490 1.8860 2.4627 2.5201 2.7122 2.8002 2.8381 2.8391 2.8674 2.8785 2.8961 2.9216 3.0821 3.0890 3.1431 3.1497 4.0534 4.1008 4.1321 4.2184 4.2759 4.2787 4.3369 4.3408 4.4237 4.4456 4.7236 4.8144 4.8563 4.8619 5.1919 5.2254 5.2998 5.3071 5.7865 5.7869 6.1637 6.1720 6.5562 6.5771 6.5994 6.6033 6.8680 6.8875 6.9016 6.9132 7.5531 7.5629 9.1588 9.1597 9.9403 9.9403 10.4992 10.5055 k = 0.4861 0.3471 0.6533 ( 6132 PWs) bands (ev): -7.7562 -7.7562 -7.1049 -7.1014 -7.0552 -7.0545 -7.0286 -7.0264 -2.1103 -2.1097 0.5829 0.5875 0.9336 0.9515 1.4382 1.4435 1.8344 1.8748 2.4602 2.5203 2.7037 2.7940 2.8351 2.8358 2.8601 2.8776 2.8862 2.9210 3.0822 3.0912 3.1454 3.1497 4.0497 4.0970 4.1301 4.2203 4.2715 4.2749 4.3347 4.3363 4.4232 4.4452 4.7309 4.8242 4.8518 4.8582 5.1790 5.2150 5.2890 5.2976 5.7795 5.7801 6.1725 6.1800 6.5434 6.5629 6.6000 6.6011 6.8540 6.8776 6.9001 6.9101 7.5690 7.5764 9.1676 9.1685 9.9669 9.9672 10.4861 10.4921 k = 0.5000 0.3570 0.6411 ( 6136 PWs) bands (ev): -7.7581 -7.7580 -7.1097 -7.1061 -7.0513 -7.0505 -7.0281 -7.0259 -2.1048 -2.1043 0.5973 0.6021 0.9479 0.9671 1.4395 1.4453 1.8313 1.8741 2.4593 2.5221 2.6926 2.7821 2.8314 2.8320 2.8563 2.8761 2.8770 2.9210 3.0818 3.0931 3.1474 3.1491 4.0466 4.0933 4.1280 4.2223 4.2674 4.2713 4.3317 4.3325 4.4228 4.4448 4.7381 4.8327 4.8480 4.8558 5.1663 5.2050 5.2772 5.2870 5.7721 5.7728 6.1790 6.1862 6.5285 6.5468 6.5955 6.6019 6.8390 6.8661 6.8994 6.9085 7.5887 7.5942 9.1820 9.1825 9.9888 9.9896 10.4671 10.4726 k = 0.5000 0.3570 0.6411 ( 6136 PWs) bands (ev): -7.7581 -7.7580 -7.1097 -7.1061 -7.0513 -7.0505 -7.0281 -7.0259 -2.1048 -2.1043 0.5973 0.6021 0.9479 0.9671 1.4395 1.4453 1.8313 1.8741 2.4593 2.5221 2.6926 2.7821 2.8314 2.8320 2.8563 2.8761 2.8770 2.9210 3.0818 3.0931 3.1474 3.1491 4.0466 4.0933 4.1280 4.2223 4.2674 4.2713 4.3317 4.3325 4.4228 4.4448 4.7381 4.8327 4.8480 4.8558 5.1663 5.2050 5.2772 5.2870 5.7721 5.7728 6.1790 6.1862 6.5285 6.5468 6.5955 6.6019 6.8390 6.8661 6.8994 6.9085 7.5887 7.5942 9.1820 9.1825 9.9888 9.9896 10.4671 10.4726 k = 0.5000 0.3570 0.6198 ( 6144 PWs) bands (ev): -7.7621 -7.7620 -7.1187 -7.1149 -7.0438 -7.0431 -7.0262 -7.0240 -2.0954 -2.0950 0.6258 0.6311 0.9747 0.9959 1.4318 1.4374 1.8363 1.8821 2.4589 2.5258 2.6698 2.7524 2.8240 2.8265 2.8544 2.8609 2.8753 2.9218 3.0803 3.0954 3.1481 3.1513 4.0425 4.0869 4.1241 4.2259 4.2601 4.2654 4.3236 4.3284 4.4222 4.4439 4.7510 4.8383 4.8419 4.8606 5.1436 5.1874 5.2568 5.2684 5.7594 5.7603 6.1858 6.1927 6.5002 6.5171 6.5862 6.6012 6.8139 6.8466 6.8988 6.9068 7.6275 7.6299 9.2103 9.2113 10.0183 10.0206 10.4249 10.4292 k = 0.5000 0.3570 0.5984 ( 6146 PWs) bands (ev): -7.7667 -7.7665 -7.1282 -7.1244 -7.0358 -7.0353 -7.0235 -7.0214 -2.0860 -2.0858 0.6564 0.6622 1.0037 1.0270 1.4230 1.4281 1.8419 1.8903 2.4585 2.5281 2.6444 2.7177 2.8181 2.8211 2.8481 2.8543 2.8746 2.9235 3.0785 3.0965 3.1482 3.1559 4.0396 4.0800 4.1199 4.2296 4.2519 4.2595 4.3158 4.3239 4.4215 4.4428 4.7641 4.8330 4.8367 4.8766 5.1191 5.1682 5.2377 5.2511 5.7476 5.7487 6.1883 6.1947 6.4711 6.4871 6.5752 6.5975 6.7934 6.8307 6.8974 6.9047 7.6688 7.6696 9.2361 9.2386 10.0385 10.0426 10.3759 10.3791 k = 0.5000 0.3570 0.5770 ( 6146 PWs) bands (ev): -7.7718 -7.7717 -7.1382 -7.1344 -7.0274 -7.0273 -7.0196 -7.0181 -2.0770 -2.0770 0.6891 0.6953 1.0348 1.0602 1.4130 1.4175 1.8482 1.8988 2.4579 2.5275 2.6184 2.6807 2.8131 2.8160 2.8378 2.8546 2.8745 2.9256 3.0767 3.0963 3.1498 3.1612 4.0381 4.0728 4.1153 4.2334 4.2426 4.2537 4.3085 4.3191 4.4207 4.4415 4.7757 4.8252 4.8340 4.8950 5.0930 5.1476 5.2201 5.2352 5.7371 5.7382 6.1866 6.1921 6.4417 6.4570 6.5622 6.5894 6.7787 6.8183 6.8952 6.9017 7.7104 7.7147 9.2584 9.2628 10.0493 10.0557 10.3206 10.3227 k = 0.5000 0.3570 0.5556 ( 6148 PWs) bands (ev): -7.7776 -7.7774 -7.1487 -7.1448 -7.0200 -7.0185 -7.0140 -7.0139 -2.0687 -2.0685 0.7237 0.7302 1.0679 1.0952 1.4018 1.4054 1.8551 1.9075 2.4567 2.5208 2.5958 2.6428 2.8087 2.8115 2.8295 2.8546 2.8750 2.9282 3.0757 3.0949 3.1530 3.1670 4.0378 4.0653 4.1105 4.2322 4.2369 4.2483 4.3019 4.3143 4.4197 4.4399 4.7832 4.8168 4.8365 4.9142 5.0655 5.1260 5.2040 5.2208 5.7276 5.7288 6.1811 6.1851 6.4123 6.4270 6.5480 6.5769 6.7699 6.8093 6.8922 6.8980 7.7544 7.7621 9.2760 9.2823 10.0513 10.0607 10.2597 10.2606 k = 0.5000 0.3570 0.5343 ( 6152 PWs) bands (ev): -7.7840 -7.7838 -7.1595 -7.1556 -7.0137 -7.0101 -7.0081 -7.0060 -2.0612 -2.0608 0.7602 0.7670 1.1026 1.1319 1.3893 1.3918 1.8625 1.9163 2.4545 2.5035 2.5814 2.6052 2.8049 2.8074 2.8229 2.8539 2.8759 2.9311 3.0758 3.0930 3.1576 3.1732 4.0384 4.0574 4.1055 4.2208 4.2383 4.2454 4.2960 4.3094 4.4186 4.4382 4.7846 4.8082 4.8461 4.9337 5.0371 5.1036 5.1898 5.2079 5.7195 5.7206 6.1720 6.1740 6.3830 6.3971 6.5332 6.5608 6.7662 6.8029 6.8884 6.8933 7.8002 7.8113 9.2875 9.2958 10.0457 10.0586 10.1940 10.1946 k = 0.5000 0.3570 0.5129 ( 6154 PWs) bands (ev): -7.7910 -7.7907 -7.1706 -7.1667 -7.0074 -7.0037 -6.9990 -6.9968 -2.0546 -2.0539 0.7985 0.8054 1.1388 1.1697 1.3758 1.3770 1.8705 1.9251 2.4505 2.4764 2.5692 2.5752 2.8015 2.8038 2.8177 2.8523 2.8775 2.9346 3.0773 3.0912 3.1633 3.1799 4.0398 4.0491 4.1006 4.2087 4.2346 4.2478 4.2908 4.3045 4.4173 4.4364 4.7816 4.7997 4.8608 4.9533 5.0080 5.0808 5.1774 5.1969 5.7124 5.7135 6.1590 6.1595 6.3541 6.3676 6.5186 6.5429 6.7660 6.7986 6.8837 6.8878 7.8471 7.8614 9.2920 9.3024 10.0327 10.0480 10.1248 10.1288 k = 0.5000 0.3570 0.4915 ( 6162 PWs) bands (ev): -7.7985 -7.7982 -7.1819 -7.1781 -7.0007 -6.9971 -6.9891 -6.9870 -2.0490 -2.0480 0.8384 0.8455 1.1761 1.2082 1.3610 1.3616 1.8789 1.9339 2.4428 2.4440 2.5370 2.5730 2.7988 2.8004 2.8140 2.8498 2.8796 2.9385 3.0806 3.0901 3.1699 3.1869 4.0404 4.0415 4.0959 4.1959 4.2296 4.2516 4.2861 4.2996 4.4158 4.4346 4.7767 4.7914 4.8783 4.9723 4.9786 5.0579 5.1671 5.1879 5.7064 5.7074 6.1405 6.1439 6.3256 6.3384 6.5052 6.5246 6.7679 6.7958 6.8781 6.8812 7.8945 7.9116 9.2892 9.3018 10.0077 10.0172 10.0588 10.0753 k = 0.5000 0.3570 0.4702 ( 6178 PWs) bands (ev): -7.8065 -7.8061 -7.1933 -7.1896 -6.9932 -6.9897 -6.9789 -6.9768 -2.0446 -2.0433 0.8799 0.8870 1.2138 1.2456 1.3442 1.3481 1.8876 1.9426 2.4095 2.4286 2.5114 2.5721 2.7966 2.7970 2.8116 2.8462 2.8821 2.9429 3.0857 3.0902 3.1773 3.1943 4.0312 4.0430 4.0920 4.1827 4.2245 4.2557 4.2818 4.2947 4.4142 4.4326 4.7713 4.7836 4.8966 4.9492 4.9898 5.0356 5.1593 5.1815 5.7012 5.7021 6.1188 6.1255 6.2977 6.3098 6.4933 6.5072 6.7711 6.7940 6.8717 6.8738 7.9416 7.9611 9.2794 9.2943 9.9543 9.9551 10.0129 10.0452 k = 0.5000 0.3570 0.4488 ( 6168 PWs) bands (ev): -7.8149 -7.8145 -7.2048 -7.2011 -6.9851 -6.9816 -6.9685 -6.9664 -2.0414 -2.0398 0.9229 0.9298 1.2504 1.2766 1.3280 1.3404 1.8966 1.9511 2.3745 2.4064 2.4944 2.5710 2.7937 2.7952 2.8108 2.8420 2.8852 2.9480 3.0919 3.0926 3.1852 3.2021 4.0214 4.0434 4.0895 4.1696 4.2198 4.2597 4.2779 4.2900 4.4124 4.4307 4.7662 4.7765 4.9118 4.9232 4.9998 5.0195 5.1545 5.1785 5.6968 5.6977 6.0945 6.1043 6.2705 6.2818 6.4834 6.4917 6.7748 6.7929 6.8644 6.8655 7.9877 8.0092 9.2635 9.2807 9.8811 9.8816 9.9783 10.0182 k = 0.5000 0.3570 0.4274 ( 6176 PWs) bands (ev): -7.8237 -7.8233 -7.2163 -7.2127 -6.9762 -6.9728 -6.9580 -6.9559 -2.0395 -2.0376 0.9672 0.9739 1.2776 1.2844 1.3207 1.3549 1.9058 1.9593 2.3398 2.3783 2.4836 2.5690 2.7908 2.7943 2.8111 2.8374 2.8887 2.9535 3.0954 3.1011 3.1937 3.2102 4.0111 4.0419 4.0889 4.1567 4.2154 4.2635 4.2740 4.2854 4.4107 4.4289 4.7617 4.7701 4.8891 4.9342 4.9850 5.0259 5.1535 5.1799 5.6930 5.6937 6.0680 6.0806 6.2440 6.2546 6.4755 6.4784 6.7787 6.7924 6.8563 6.8564 8.0320 8.0551 9.2427 9.2621 9.8043 9.8047 9.9401 9.9850 k = 0.5000 0.3570 0.4060 ( 6170 PWs) bands (ev): -7.8328 -7.8323 -7.2277 -7.2242 -6.9668 -6.9634 -6.9474 -6.9453 -2.0389 -2.0367 1.0128 1.0188 1.2721 1.2735 1.3438 1.3886 1.9152 1.9673 2.3060 2.3478 2.4757 2.5655 2.7884 2.7940 2.8125 2.8329 2.8926 2.9594 3.1008 3.1110 3.2026 3.2188 4.0003 4.0382 4.0902 4.1448 4.2115 4.2668 4.2702 4.2810 4.4090 4.4271 4.7582 4.7644 4.8605 4.9495 4.9638 5.0352 5.1570 5.1869 5.6896 5.6902 6.0397 6.0548 6.2184 6.2282 6.4677 6.4697 6.7825 6.7923 6.8463 6.8476 8.0739 8.0981 9.2182 9.2399 9.7271 9.7272 9.8960 9.9441 k = 0.5000 0.3570 0.3847 ( 6162 PWs) bands (ev): -7.8420 -7.8415 -7.2390 -7.2356 -6.9568 -6.9534 -6.9368 -6.9347 -2.0396 -2.0371 1.0595 1.0644 1.2536 1.2560 1.3798 1.4270 1.9246 1.9749 2.2736 2.3173 2.4686 2.5601 2.7870 2.7944 2.8151 2.8288 2.8967 2.9656 3.1081 3.1220 3.2121 3.2278 3.9889 4.0323 4.0923 4.1348 4.2081 4.2662 4.2692 4.2772 4.4075 4.4254 4.7559 4.7594 4.8321 4.9427 4.9622 5.0411 5.1658 5.1998 5.6866 5.6871 6.0103 6.0272 6.1937 6.2027 6.4597 6.4661 6.7860 6.7925 6.8355 6.8382 8.1129 8.1377 9.1913 9.2153 9.6505 9.6507 9.8460 9.8961 k = 0.5000 0.3570 0.3633 ( 6178 PWs) bands (ev): -7.8514 -7.8509 -7.2501 -7.2468 -6.9464 -6.9431 -6.9262 -6.9242 -2.0415 -2.0388 1.1070 1.1095 1.2330 1.2371 1.4171 1.4660 1.9340 1.9820 2.2430 2.2878 2.4609 2.5527 2.7866 2.7954 2.8185 2.8255 2.9011 2.9719 3.1171 3.1339 3.2219 3.2374 3.9768 4.0244 4.0935 4.1282 4.2050 4.2619 4.2690 4.2758 4.4062 4.4237 4.7549 4.7549 4.8040 4.9222 4.9715 5.0431 5.1804 5.2183 5.6836 5.6840 5.9800 5.9983 6.1699 6.1782 6.4545 6.4644 6.7887 6.7930 6.8240 6.8286 8.1485 8.1735 9.1629 9.1894 9.5754 9.5760 9.7913 9.8423 k = 0.5000 0.3570 0.3419 ( 6166 PWs) bands (ev): -7.8607 -7.8603 -7.2608 -7.2577 -6.9357 -6.9324 -6.9158 -6.9139 -2.0446 -2.0417 1.1502 1.1554 1.2115 1.2226 1.4539 1.5041 1.9433 1.9888 2.2144 2.2600 2.4524 2.5430 2.7876 2.7970 2.8228 2.8233 2.9057 2.9782 3.1276 3.1465 3.2322 3.2474 3.9643 4.0147 4.0923 4.1268 4.2025 4.2573 4.2662 4.2769 4.4053 4.4220 4.7504 4.7554 4.7765 4.9031 4.9775 5.0423 5.2005 5.2412 5.6806 5.6811 5.9495 5.9684 6.1474 6.1549 6.4519 6.4649 6.7902 6.7937 6.8118 6.8195 8.1805 8.2051 9.1339 9.1628 9.5026 9.5034 9.7328 9.7841 k = 0.5000 0.3570 0.3206 ( 6164 PWs) bands (ev): -7.8701 -7.8696 -7.2713 -7.2683 -6.9247 -6.9216 -6.9057 -6.9037 -2.0487 -2.0457 1.1668 1.1885 1.2051 1.2322 1.4892 1.5405 1.9524 1.9951 2.1881 2.2343 2.4425 2.5311 2.7899 2.7992 2.8223 2.8277 2.9104 2.9843 3.1396 3.1595 3.2429 3.2580 3.9514 4.0032 4.0892 4.1298 4.2004 4.2524 4.2631 4.2783 4.4050 4.4204 4.7454 4.7493 4.7574 4.8859 4.9807 5.0396 5.2253 5.2675 5.6775 5.6780 5.9189 5.9380 6.1261 6.1328 6.4519 6.4673 6.7883 6.7942 6.7995 6.8127 8.2087 8.2327 9.1047 9.1362 9.4326 9.4337 9.6718 9.7230 k = 0.5000 0.3570 0.2992 ( 6164 PWs) bands (ev): -7.8792 -7.8787 -7.2813 -7.2785 -6.9137 -6.9106 -6.8957 -6.8939 -2.0537 -2.0506 1.1544 1.1667 1.2540 1.2714 1.5227 1.5747 1.9613 2.0009 2.1644 2.2110 2.4313 2.5172 2.7934 2.8018 2.8226 2.8333 2.9152 2.9900 3.1525 3.1726 3.2539 3.2690 3.9381 3.9900 4.0865 4.1353 4.1983 4.2472 4.2607 4.2792 4.4052 4.4188 4.7228 4.7390 4.7607 4.8712 4.9818 5.0355 5.2539 5.2963 5.6741 5.6747 5.8888 5.9075 6.1061 6.1120 6.4544 6.4717 6.7815 6.7854 6.7961 6.8101 8.2332 8.2561 9.0759 9.1097 9.3658 9.3671 9.6091 9.6601 k = 0.5000 0.3570 0.2778 ( 6170 PWs) bands (ev): -7.8881 -7.8876 -7.2909 -7.2883 -6.9028 -6.8998 -6.8862 -6.8843 -2.0595 -2.0564 1.1350 1.1446 1.3035 1.3179 1.5538 1.6061 1.9699 2.0063 2.1434 2.1901 2.4187 2.5015 2.7979 2.8050 2.8241 2.8391 2.9200 2.9952 3.1662 3.1857 3.2652 3.2806 3.9246 3.9755 4.0851 4.1417 4.1963 4.2416 4.2593 4.2796 4.4062 4.4171 4.6969 4.7304 4.7654 4.8599 4.9815 5.0307 5.2853 5.3266 5.6703 5.6711 5.8594 5.8773 6.0874 6.0927 6.4593 6.4780 6.7711 6.7721 6.7968 6.8103 8.2542 8.2757 9.0476 9.0837 9.3026 9.3042 9.5457 9.5961 k = 0.5000 0.3570 0.2565 ( 6178 PWs) bands (ev): -7.8967 -7.8962 -7.3000 -7.2976 -6.8920 -6.8891 -6.8770 -6.8752 -2.0659 -2.0628 1.1146 1.1229 1.3530 1.3660 1.5823 1.6341 1.9781 2.0113 2.1252 2.1718 2.4050 2.4843 2.8032 2.8086 2.8266 2.8452 2.9250 2.9999 3.1804 3.1986 3.2767 3.2925 3.9109 3.9599 4.0857 4.1486 4.1940 4.2359 4.2593 4.2795 4.4078 4.4152 4.6715 4.7189 4.7714 4.8523 4.9804 5.0254 5.3186 5.3579 5.6661 5.6673 5.8310 5.8478 6.0702 6.0748 6.4666 6.4862 6.7586 6.7591 6.7974 6.8112 8.2718 8.2918 9.0199 9.0581 9.2434 9.2452 9.4823 9.5321 k = 0.5000 0.3570 0.2351 ( 6164 PWs) bands (ev): -7.9048 -7.9044 -7.3086 -7.3063 -6.8815 -6.8788 -6.8683 -6.8665 -2.0727 -2.0696 1.0943 1.1019 1.4022 1.4143 1.6079 1.6584 1.9859 2.0160 2.1100 2.1559 2.3903 2.4659 2.8091 2.8127 2.8301 2.8512 2.9302 3.0039 3.1947 3.2111 3.2885 3.3047 3.8973 3.9438 4.0884 4.1555 4.1913 4.2303 4.2608 4.2788 4.4101 4.4132 4.6470 4.7044 4.7786 4.8484 4.9790 5.0200 5.3529 5.3896 5.6615 5.6630 5.8041 5.8192 6.0546 6.0585 6.4762 6.4963 6.7451 6.7465 6.7976 6.8120 8.2865 8.3049 8.9931 9.0329 9.1884 9.1903 9.4196 9.4685 k = 0.5000 0.3570 0.2137 ( 6172 PWs) bands (ev): -7.9125 -7.9121 -7.3165 -7.3144 -6.8715 -6.8688 -6.8601 -6.8584 -2.0798 -2.0767 1.0748 1.0818 1.4508 1.4621 1.6305 1.6786 1.9932 2.0204 2.0976 2.1423 2.3751 2.4466 2.8154 2.8171 2.8342 2.8569 2.9354 3.0071 3.2088 3.2230 3.3003 3.3169 3.8839 3.9273 4.0930 4.1620 4.1883 4.2249 4.2637 4.2776 4.4110 4.4131 4.6233 4.6871 4.7866 4.8476 4.9773 5.0145 5.3875 5.4212 5.6564 5.6584 5.7788 5.7920 6.0405 6.0438 6.4879 6.5083 6.7318 6.7337 6.7971 6.8121 8.2987 8.3154 8.9673 9.0083 9.1377 9.1399 9.3583 9.4062 k = 0.5000 0.3570 0.1923 ( 6172 PWs) bands (ev): -7.9197 -7.9193 -7.3238 -7.3219 -6.8620 -6.8595 -6.8524 -6.8508 -2.0868 -2.0839 1.0564 1.0628 1.4985 1.5090 1.6502 1.6948 2.0000 2.0246 2.0877 2.1305 2.3598 2.4269 2.8218 2.8218 2.8386 2.8620 2.9409 3.0096 3.2223 3.2342 3.3122 3.3289 3.8710 3.9109 4.0997 4.1679 4.1850 4.2200 4.2674 4.2761 4.4087 4.4168 4.6007 4.6679 4.7954 4.8491 4.9756 5.0090 5.4216 5.4518 5.6508 5.6536 5.7555 5.7665 6.0280 6.0307 6.5016 6.5221 6.7191 6.7212 6.7957 6.8112 8.3087 8.3238 8.9429 8.9846 9.0916 9.0940 9.2989 9.3455 k = 0.5000 0.3570 0.1710 ( 6168 PWs) bands (ev): -7.9263 -7.9259 -7.3304 -7.3287 -6.8531 -6.8508 -6.8454 -6.8439 -2.0937 -2.0910 1.0394 1.0452 1.5449 1.5542 1.6673 1.7070 2.0063 2.0284 2.0798 2.1200 2.3449 2.4071 2.8267 2.8281 2.8432 2.8663 2.9468 3.0112 3.2351 3.2446 3.3239 3.3405 3.8588 3.8948 4.1083 4.1727 4.1816 4.2163 4.2700 4.2759 4.4066 4.4210 4.5796 4.6472 4.8046 4.8522 4.9741 5.0037 5.4544 5.4810 5.6450 5.6486 5.7344 5.7428 6.0171 6.0193 6.5173 6.5375 6.7070 6.7091 6.7932 6.8091 8.3170 8.3304 8.9204 8.9621 9.0502 9.0527 9.2422 9.2871 k = 0.5000 0.3570 0.1496 ( 6172 PWs) bands (ev): -7.9322 -7.9319 -7.3363 -7.3348 -6.8451 -6.8429 -6.8391 -6.8376 -2.1002 -2.0977 1.0240 1.0291 1.5896 1.5968 1.6824 1.7159 2.0119 2.0317 2.0734 2.1101 2.3309 2.3876 2.8318 2.8343 2.8478 2.8697 2.9529 3.0119 3.2469 3.2540 3.3352 3.3515 3.8474 3.8794 4.1187 4.1759 4.1782 4.2142 4.2687 4.2788 4.4050 4.4258 4.5599 4.6255 4.8141 4.8559 4.9729 4.9986 5.4853 5.5081 5.6389 5.6436 5.7158 5.7213 6.0077 6.0094 6.5347 6.5543 6.6959 6.6977 6.7894 6.8055 8.3237 8.3355 8.9005 8.9417 9.0136 9.0162 9.1884 9.2314 k = 0.5000 0.3570 0.1282 ( 6168 PWs) bands (ev): -7.9374 -7.9371 -7.3415 -7.3402 -6.8380 -6.8360 -6.8333 -6.8320 -2.1062 -2.1040 1.0103 1.0148 1.6318 1.6351 1.6973 1.7221 2.0170 2.0343 2.0679 2.0999 2.3186 2.3689 2.8369 2.8401 2.8520 2.8720 2.9592 3.0119 3.2573 3.2625 3.3461 3.3614 3.8372 3.8650 4.1309 4.1751 4.1772 4.2143 4.2656 4.2814 4.4050 4.4310 4.5421 4.6031 4.8236 4.8599 4.9720 4.9939 5.5133 5.5324 5.6330 5.6390 5.6999 5.7024 5.9998 6.0011 6.5534 6.5722 6.6859 6.6872 6.7840 6.8002 8.3290 8.3393 8.8841 8.9241 8.9818 8.9846 9.1381 9.1788 k = 0.5000 0.3570 0.1069 ( 6164 PWs) bands (ev): -7.9419 -7.9417 -7.3459 -7.3448 -6.8318 -6.8302 -6.8282 -6.8271 -2.1116 -2.1097 0.9985 1.0023 1.6654 1.6700 1.7151 1.7272 2.0216 2.0361 2.0626 2.0889 2.3085 2.3515 2.8420 2.8455 2.8557 2.8732 2.9657 3.0110 3.2663 3.2699 3.3563 3.3701 3.8284 3.8518 4.1446 4.1724 4.1766 4.2165 4.2619 4.2814 4.4076 4.4367 4.5263 4.5805 4.8327 4.8636 4.9715 4.9895 5.5377 5.5531 5.6274 5.6349 5.6862 5.6869 5.9932 5.9942 6.5732 6.5907 6.6774 6.6778 6.7770 6.7932 8.3332 8.3418 8.8721 8.9105 8.9548 8.9578 9.0916 9.1297 k = 0.5000 0.3570 0.0855 ( 6162 PWs) bands (ev): -7.9456 -7.9454 -7.3495 -7.3486 -6.8269 -6.8258 -6.8236 -6.8229 -2.1161 -2.1145 0.9887 0.9918 1.6845 1.6997 1.7356 1.7385 2.0257 2.0370 2.0571 2.0770 2.3009 2.3359 2.8470 2.8503 2.8589 2.8733 2.9721 3.0093 3.2737 3.2761 3.3655 3.3772 3.8212 3.8401 4.1595 4.1702 4.1749 4.2202 4.2578 4.2776 4.4137 4.4428 4.5123 4.5578 4.8413 4.8665 4.9713 4.9855 5.5576 5.5696 5.6227 5.6318 5.6731 5.6770 5.9880 5.9887 6.5933 6.6089 6.6698 6.6707 6.7686 6.7844 8.3363 8.3433 8.8651 8.9016 8.9327 8.9359 9.0494 9.0847 k = 0.5000 0.3570 0.0641 ( 6156 PWs) bands (ev): -7.9485 -7.9484 -7.3523 -7.3517 -6.8231 -6.8224 -6.8197 -6.8195 -2.1197 -2.1185 0.9812 0.9835 1.6955 1.7124 1.7549 1.7638 2.0293 2.0369 2.0514 2.0644 2.2961 2.3226 2.8518 2.8543 2.8612 2.8725 2.9784 3.0069 3.2796 3.2810 3.3734 3.3827 3.8159 3.8302 4.1686 4.1719 4.1765 4.2248 4.2531 4.2697 4.4238 4.4493 4.5001 4.5353 4.8491 4.8684 4.9715 4.9820 5.5722 5.5813 5.6194 5.6296 5.6639 5.6699 5.9841 5.9846 6.6129 6.6253 6.6635 6.6664 6.7593 6.7742 8.3385 8.3439 8.8638 8.8980 8.9154 8.9191 9.0123 9.0443 k = 0.5000 0.3570 0.0427 ( 6160 PWs) bands (ev): -7.9506 -7.9505 -7.3543 -7.3539 -6.8204 -6.8201 -6.8169 -6.8168 -2.1223 -2.1215 0.9758 0.9774 1.7024 1.7146 1.7777 1.7852 2.0324 2.0358 2.0463 2.0526 2.2941 2.3117 2.8561 2.8575 2.8628 2.8709 2.9845 3.0037 3.2837 3.2845 3.3797 3.3861 3.8126 3.8221 4.1677 4.1705 4.1926 4.2298 4.2478 4.2587 4.4372 4.4561 4.4894 4.5133 4.8558 4.8688 4.9721 4.9790 5.5817 5.5878 5.6184 5.6275 5.6590 5.6652 5.9814 5.9816 6.6305 6.6376 6.6594 6.6653 6.7505 6.7632 8.3401 8.3438 8.8679 8.8988 8.9026 8.9073 8.9823 9.0094 k = 0.5000 0.3570 0.0214 ( 6152 PWs) bands (ev): -7.9519 -7.9518 -7.3554 -7.3552 -6.8189 -6.8187 -6.8152 -6.8152 -2.1238 -2.1234 0.9727 0.9735 1.7074 1.7135 1.7948 1.7990 2.0347 2.0348 2.0425 2.0435 2.2947 2.3035 2.8595 2.8598 2.8640 2.8686 2.9901 2.9997 3.2863 3.2866 3.3843 3.3876 3.8115 3.8164 4.1675 4.1690 4.2095 4.2351 4.2397 4.2477 4.4536 4.4635 4.4799 4.4921 4.8612 4.8678 4.9731 4.9765 5.5870 5.5901 5.6195 5.6248 5.6582 5.6621 5.9798 5.9799 6.6424 6.6437 6.6594 6.6663 6.7448 6.7527 8.3413 8.3432 8.8763 8.8934 8.9009 8.9010 8.9639 8.9816 k = 0.5000 0.3570-0.0000 ( 6134 PWs) bands (ev): -7.9523 -7.9523 -7.3557 -7.3557 -6.8183 -6.8183 -6.8146 -6.8146 -2.1241 -2.1241 0.9719 0.9719 1.7110 1.7110 1.8024 1.8024 2.0351 2.0351 2.0404 2.0404 2.2978 2.2978 2.8607 2.8607 2.8660 2.8660 2.9952 2.9952 3.2872 3.2872 3.3870 3.3870 3.8129 3.8129 4.1680 4.1680 4.2258 4.2258 4.2407 4.2407 4.4710 4.4710 4.4724 4.4724 4.8653 4.8653 4.9747 4.9747 5.5895 5.5895 5.6219 5.6219 5.6597 5.6597 5.9794 5.9794 6.6454 6.6454 6.6643 6.6643 6.7456 6.7456 8.3424 8.3424 8.8857 8.8857 8.9001 8.9001 8.9642 8.9642 k = 0.0000 0.0000 0.8605 ( 6152 PWs) bands (ev): -7.7425 -7.7425 -7.0876 -7.0876 -7.0626 -7.0626 -7.0282 -7.0282 -2.1648 -2.1648 0.4508 0.4508 0.8191 0.8191 1.4716 1.4716 1.8213 1.8213 2.4745 2.4745 2.7973 2.7973 2.8571 2.8571 2.9086 2.9086 3.0441 3.0441 3.0727 3.0727 3.1306 3.1306 4.1202 4.1202 4.1716 4.1716 4.3093 4.3093 4.3554 4.3554 4.4414 4.4414 4.7003 4.7003 4.8908 4.8908 5.2811 5.2811 5.4611 5.4611 5.8735 5.8735 6.0101 6.0101 6.6043 6.6043 6.7420 6.7420 6.8854 6.8854 7.0707 7.0707 7.4080 7.4080 8.9956 8.9956 9.6269 9.6269 10.6122 10.6122 k = 0.0167 0.0119 0.8605 ( 6144 PWs) bands (ev): -7.7425 -7.7425 -7.0876 -7.0876 -7.0627 -7.0627 -7.0282 -7.0282 -2.1648 -2.1648 0.4523 0.4523 0.8185 0.8185 1.4605 1.4605 1.8324 1.8324 2.4764 2.4764 2.7961 2.7961 2.8573 2.8573 2.9086 2.9086 3.0435 3.0435 3.0728 3.0728 3.1299 3.1299 4.1203 4.1203 4.1714 4.1714 4.3098 4.3098 4.3555 4.3555 4.4412 4.4412 4.7001 4.7001 4.8917 4.8917 5.2812 5.2812 5.4589 5.4589 5.8733 5.8733 6.0108 6.0108 6.6001 6.6001 6.7422 6.7422 6.8856 6.8856 7.0694 7.0694 7.4128 7.4128 9.0010 9.0010 9.6255 9.6255 10.6108 10.6108 k = 0.0333 0.0238 0.8605 ( 6144 PWs) bands (ev): -7.7425 -7.7425 -7.0874 -7.0874 -7.0629 -7.0629 -7.0282 -7.0282 -2.1646 -2.1646 0.4570 0.4570 0.8167 0.8167 1.4306 1.4306 1.8622 1.8622 2.4822 2.4822 2.7926 2.7926 2.8574 2.8574 2.9083 2.9083 3.0417 3.0417 3.0729 3.0729 3.1279 3.1279 4.1206 4.1206 4.1709 4.1709 4.3114 4.3114 4.3557 4.3557 4.4409 4.4409 4.6995 4.6995 4.8944 4.8944 5.2816 5.2816 5.4523 5.4523 5.8725 5.8725 6.0129 6.0129 6.5880 6.5880 6.7428 6.7428 6.8861 6.8861 7.0656 7.0656 7.4266 7.4266 9.0171 9.0171 9.6214 9.6214 10.6062 10.6062 k = 0.0500 0.0357 0.8605 ( 6144 PWs) bands (ev): -7.7425 -7.7425 -7.0870 -7.0870 -7.0633 -7.0633 -7.0283 -7.0283 -2.1643 -2.1643 0.4646 0.4646 0.8138 0.8138 1.3888 1.3888 1.9039 1.9039 2.4916 2.4916 2.7868 2.7868 2.8577 2.8577 2.9080 2.9080 3.0387 3.0387 3.0731 3.0731 3.1247 3.1247 4.1212 4.1212 4.1701 4.1701 4.3139 4.3139 4.3562 4.3562 4.4402 4.4402 4.6985 4.6985 4.8988 4.8988 5.2822 5.2822 5.4415 5.4415 5.8712 5.8712 6.0164 6.0164 6.5690 6.5690 6.7437 6.7437 6.8870 6.8870 7.0595 7.0595 7.4484 7.4484 9.0435 9.0435 9.6148 9.6148 10.5979 10.5979 k = 0.0667 0.0476 0.8605 ( 6132 PWs) bands (ev): -7.7425 -7.7425 -7.0865 -7.0865 -7.0638 -7.0638 -7.0283 -7.0283 -2.1640 -2.1640 0.4754 0.4754 0.8100 0.8100 1.3403 1.3403 1.9523 1.9523 2.5045 2.5045 2.7789 2.7789 2.8582 2.8582 2.9075 2.9075 3.0339 3.0339 3.0735 3.0735 3.1206 3.1206 4.1220 4.1220 4.1690 4.1690 4.3173 4.3173 4.3568 4.3568 4.4394 4.4394 4.6971 4.6971 4.9050 4.9050 5.2829 5.2829 5.4267 5.4267 5.8695 5.8695 6.0214 6.0214 6.5447 6.5447 6.7448 6.7448 6.8884 6.8884 7.0515 7.0515 7.4767 7.4767 9.0796 9.0796 9.6057 9.6057 10.5848 10.5848 k = 0.0833 0.0595 0.8605 ( 6128 PWs) bands (ev): -7.7425 -7.7425 -7.0859 -7.0859 -7.0644 -7.0644 -7.0283 -7.0283 -2.1635 -2.1635 0.4891 0.4891 0.8054 0.8054 1.2884 1.2884 2.0040 2.0040 2.5203 2.5203 2.7687 2.7687 2.8586 2.8586 2.9069 2.9069 3.0273 3.0273 3.0739 3.0739 3.1160 3.1160 4.1229 4.1229 4.1676 4.1676 4.3214 4.3214 4.3577 4.3577 4.4382 4.4382 4.6954 4.6954 4.9132 4.9132 5.2838 5.2838 5.4082 5.4082 5.8675 5.8675 6.0278 6.0278 6.5163 6.5163 6.7460 6.7460 6.8901 6.8901 7.0419 7.0419 7.5095 7.5095 9.1249 9.1249 9.5944 9.5944 10.5653 10.5653 k = 0.1000 0.0714 0.8605 ( 6130 PWs) bands (ev): -7.7424 -7.7424 -7.0851 -7.0851 -7.0652 -7.0652 -7.0284 -7.0284 -2.1630 -2.1630 0.5059 0.5059 0.8003 0.8003 1.2347 1.2347 2.0572 2.0572 2.5386 2.5386 2.7567 2.7567 2.8591 2.8591 2.9062 2.9062 3.0183 3.0183 3.0745 3.0745 3.1112 3.1112 4.1241 4.1241 4.1660 4.1660 4.3259 4.3259 4.3589 4.3589 4.4368 4.4368 4.6934 4.6934 4.9234 4.9234 5.2846 5.2846 5.3866 5.3866 5.8652 5.8652 6.0357 6.0357 6.4853 6.4853 6.7473 6.7473 6.8922 6.8922 7.0311 7.0311 7.5453 7.5453 9.1784 9.1784 9.5815 9.5815 10.5376 10.5376 k = 0.1167 0.0833 0.8605 ( 6122 PWs) bands (ev): -7.7424 -7.7424 -7.0842 -7.0842 -7.0661 -7.0661 -7.0284 -7.0284 -2.1625 -2.1625 0.5256 0.5256 0.7949 0.7949 1.1806 1.1806 2.1106 2.1106 2.5585 2.5585 2.7432 2.7432 2.8596 2.8596 2.9055 2.9055 3.0068 3.0068 3.0752 3.0752 3.1066 3.1066 4.1254 4.1254 4.1643 4.1643 4.3307 4.3307 4.3605 4.3605 4.4351 4.4351 4.6914 4.6914 4.9356 4.9356 5.2851 5.2851 5.3625 5.3625 5.8627 5.8627 6.0449 6.0449 6.4530 6.4530 6.7486 6.7486 6.8947 6.8947 7.0197 7.0197 7.5824 7.5824 9.2392 9.2392 9.5674 9.5674 10.5002 10.5002 k = 0.1333 0.0952 0.8605 ( 6144 PWs) bands (ev): -7.7424 -7.7424 -7.0833 -7.0833 -7.0671 -7.0671 -7.0285 -7.0285 -2.1620 -2.1620 0.5481 0.5481 0.7893 0.7893 1.1267 1.1267 2.1636 2.1636 2.5787 2.5787 2.7292 2.7292 2.8599 2.8599 2.9046 2.9046 2.9927 2.9927 3.0760 3.0760 3.1024 3.1024 4.1268 4.1268 4.1624 4.1624 4.3352 4.3352 4.3627 4.3627 4.4331 4.4331 4.6892 4.6892 4.9499 4.9499 5.2843 5.2843 5.3370 5.3370 5.8601 5.8601 6.0556 6.0556 6.4201 6.4201 6.7499 6.7499 6.8976 6.8976 7.0079 7.0079 7.6193 7.6193 9.3062 9.3062 9.5528 9.5528 10.4521 10.4521 k = 0.1500 0.1071 0.8605 ( 6126 PWs) bands (ev): -7.7424 -7.7424 -7.0822 -7.0822 -7.0682 -7.0682 -7.0285 -7.0285 -2.1615 -2.1615 0.5735 0.5735 0.7840 0.7840 1.0735 1.0735 2.2155 2.2155 2.5963 2.5963 2.7172 2.7172 2.8601 2.8601 2.9039 2.9039 2.9761 2.9761 3.0769 3.0769 3.0988 3.0988 4.1284 4.1284 4.1605 4.1605 4.3392 4.3392 4.3656 4.3656 4.4308 4.4308 4.6871 4.6871 4.9665 4.9665 5.2792 5.2792 5.3141 5.3141 5.8576 5.8576 6.0677 6.0677 6.3877 6.3877 6.7512 6.7512 6.9011 6.9011 6.9963 6.9963 7.6546 7.6546 9.3780 9.3780 9.5391 9.5391 10.3934 10.3934 k = 0.1667 0.1190 0.8605 ( 6122 PWs) bands (ev): -7.7423 -7.7423 -7.0810 -7.0810 -7.0693 -7.0693 -7.0285 -7.0285 -2.1610 -2.1610 0.6017 0.6017 0.7791 0.7791 1.0215 1.0215 2.2658 2.2658 2.6060 2.6060 2.7119 2.7119 2.8600 2.8600 2.9031 2.9031 2.9575 2.9575 3.0779 3.0779 3.0957 3.0957 4.1300 4.1300 4.1585 4.1585 4.3425 4.3425 4.3693 4.3693 4.4283 4.4283 4.6852 4.6852 4.9853 4.9853 5.2615 5.2615 5.3021 5.3021 5.8552 5.8552 6.0809 6.0809 6.3563 6.3563 6.7523 6.7523 6.9050 6.9050 6.9850 6.9850 7.6869 7.6869 9.4500 9.4500 9.5307 9.5307 10.3252 10.3252 k = 0.1833 0.1309 0.8605 ( 6118 PWs) bands (ev): -7.7423 -7.7423 -7.0798 -7.0798 -7.0706 -7.0706 -7.0286 -7.0286 -2.1605 -2.1605 0.6325 0.6325 0.7748 0.7748 0.9709 0.9709 2.3141 2.3141 2.6018 2.6018 2.7190 2.7190 2.8590 2.8590 2.9022 2.9022 2.9375 2.9375 3.0790 3.0790 3.0931 3.0931 4.1317 4.1317 4.1565 4.1565 4.3449 4.3449 4.3735 4.3735 4.4256 4.4256 4.6835 4.6835 5.0063 5.0063 5.2338 5.2338 5.2992 5.2992 5.8531 5.8531 6.0952 6.0952 6.3267 6.3267 6.7533 6.7533 6.9095 6.9095 6.9742 6.9742 7.7153 7.7153 9.4901 9.4901 9.5595 9.5595 10.2493 10.2493 k = 0.2000 0.1428 0.8605 ( 6106 PWs) bands (ev): -7.7423 -7.7423 -7.0786 -7.0786 -7.0718 -7.0718 -7.0286 -7.0286 -2.1602 -2.1602 0.6657 0.6657 0.7713 0.7713 0.9220 0.9220 2.3600 2.3600 2.5848 2.5848 2.7369 2.7369 2.8562 2.8562 2.9011 2.9011 2.9179 2.9179 3.0801 3.0801 3.0908 3.0908 4.1333 4.1333 4.1547 4.1547 4.3466 4.3466 4.3778 4.3778 4.4229 4.4229 4.6820 4.6820 5.0295 5.0295 5.2032 5.2032 5.2987 5.2987 5.8514 5.8514 6.1099 6.1099 6.2998 6.2998 6.7541 6.7541 6.9144 6.9144 6.9642 6.9642 7.7385 7.7385 9.4877 9.4877 9.6362 9.6362 10.1675 10.1675 k = 0.2167 0.1547 0.8605 ( 6102 PWs) bands (ev): -7.7423 -7.7423 -7.0774 -7.0774 -7.0730 -7.0730 -7.0286 -7.0286 -2.1599 -2.1599 0.7011 0.7011 0.7688 0.7688 0.8754 0.8754 2.4028 2.4028 2.5602 2.5602 2.7604 2.7604 2.8492 2.8492 2.8966 2.8966 2.9046 2.9046 3.0814 3.0814 3.0888 3.0888 4.1346 4.1346 4.1532 4.1532 4.3477 4.3477 4.3817 4.3817 4.4204 4.4204 4.6809 4.6809 5.0548 5.0548 5.1719 5.1719 5.2988 5.2988 5.8501 5.8501 6.1239 6.1239 6.2769 6.2769 6.7547 6.7547 6.9195 6.9195 6.9553 6.9553 7.7558 7.7558 9.4810 9.4810 9.7221 9.7221 10.0816 10.0816 k = 0.2333 0.1666 0.8605 ( 6112 PWs) bands (ev): -7.7423 -7.7423 -7.0765 -7.0765 -7.0739 -7.0739 -7.0287 -7.0287 -2.1598 -2.1598 0.7368 0.7368 0.7680 0.7680 0.8321 0.8321 2.4403 2.4403 2.5329 2.5329 2.7855 2.7855 2.8349 2.8349 2.8881 2.8881 2.9023 2.9023 3.0826 3.0826 3.0871 3.0871 4.1356 4.1356 4.1520 4.1520 4.3483 4.3483 4.3845 4.3845 4.4185 4.4185 4.6802 4.6802 5.0818 5.0818 5.1410 5.1410 5.2989 5.2989 5.8493 5.8493 6.1348 6.1348 6.2605 6.2605 6.7551 6.7551 6.9242 6.9242 6.9483 6.9483 7.7665 7.7665 9.4762 9.4762 9.8107 9.8107 9.9933 9.9933 k = 0.2500 0.1785 0.8605 ( 6108 PWs) bands (ev): -7.7423 -7.7423 -7.0769 -7.0769 -7.0736 -7.0736 -7.0287 -7.0287 -2.1597 -2.1597 0.7573 0.7573 0.7729 0.7729 0.8039 0.8039 2.4604 2.4604 2.5161 2.5161 2.8050 2.8050 2.8188 2.8188 2.8851 2.8851 2.9020 2.9020 3.0837 3.0837 3.0859 3.0859 4.1359 4.1359 4.1517 4.1517 4.3485 4.3485 4.3855 4.3855 4.4178 4.4178 4.6799 4.6799 5.1063 5.1063 5.1152 5.1152 5.2990 5.2990 5.8491 5.8491 6.1393 6.1393 6.2543 6.2543 6.7552 6.7552 6.9262 6.9262 6.9455 6.9455 7.7701 7.7701 9.4745 9.4745 9.8890 9.8890 9.9152 9.9152 Writing output data file FeCu2GeSe4.save init_run : 1.18s CPU 0.73s WALL ( 1 calls) electrons : 403.56s CPU 289.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 403.54s CPU 289.12s 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 : 0.26s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.46s CPU 0.59s WALL ( 277 calls) cegterg : 332.57s CPU 248.96s WALL ( 299 calls) Called by sum_band: Called by *egterg: h_psi : 282.55s CPU 177.72s WALL ( 5473 calls) s_psi : 10.47s CPU 7.85s WALL ( 5473 calls) g_psi : 0.38s CPU 0.35s WALL ( 4897 calls) cdiaghg : 71.10s CPU 68.15s WALL ( 5174 calls) cegterg:over : 11.36s CPU 10.75s WALL ( 4897 calls) cegterg:upda : 9.72s CPU 9.14s WALL ( 4897 calls) cegterg:last : 4.40s CPU 4.45s WALL ( 853 calls) cdiaghg:chol : 4.05s CPU 3.96s WALL ( 5174 calls) cdiaghg:inve : 2.69s CPU 2.79s WALL ( 5174 calls) cdiaghg:para : 4.75s CPU 4.63s WALL ( 10348 calls) Called by h_psi: h_psi:vloc : 258.60s CPU 159.34s WALL ( 5473 calls) h_psi:vnl : 23.52s CPU 18.02s WALL ( 5473 calls) add_vuspsi : 12.80s CPU 9.62s WALL ( 5473 calls) General routines calbec : 10.71s CPU 8.38s WALL ( 5473 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 246.39s CPU 150.14s WALL ( 814032 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.36s CPU 1.57s WALL ( 554 calls) Parallel routines fft_scatter : 82.57s CPU 60.70s WALL ( 814055 calls) PWSCF : 7m 8.18s CPU 5m33.19s WALL This run was terminated on: 15:52: 4 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=