Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:47: 7 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: ./FeSixCuSe2x2.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 80 62 17 1958 1322 200 Max 81 63 18 1961 1340 203 Sum 2911 2245 639 70571 47945 7247 bravais-lattice index = 14 lattice parameter (alat) = 12.7296 a.u. unit-cell volume = 1137.7576 (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)= 12.729630 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.660714 celldm(5)= -0.660714 celldm(6)= 0.321429 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.321429 0.946934 0.000000 ) a(3) = ( -0.660714 -0.473467 0.582482 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.339441 0.858395 ) b(2) = ( 0.000000 1.056040 0.858395 ) b(3) = ( 0.000000 0.000000 1.716790 ) PseudoPot. # 1 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. # 2 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. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) Si 4.00 28.08550 Si( 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= 281 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0000000 0.0000000 0.0209365), wk = 0.0035587 k( 3) = ( 0.0000000 0.0000000 0.0418729), wk = 0.0035587 k( 4) = ( 0.0000000 0.0000000 0.0628094), wk = 0.0035587 k( 5) = ( 0.0000000 0.0000000 0.0837459), wk = 0.0035587 k( 6) = ( 0.0000000 0.0000000 0.1046823), wk = 0.0035587 k( 7) = ( 0.0000000 0.0000000 0.1256188), wk = 0.0035587 k( 8) = ( 0.0000000 0.0000000 0.1465552), wk = 0.0035587 k( 9) = ( 0.0000000 0.0000000 0.1674917), wk = 0.0035587 k( 10) = ( 0.0000000 0.0000000 0.1884282), wk = 0.0035587 k( 11) = ( 0.0000000 0.0000000 0.2093647), wk = 0.0035587 k( 12) = ( 0.0000000 0.0000000 0.2303011), wk = 0.0035587 k( 13) = ( 0.0000000 0.0000000 0.2512376), wk = 0.0035587 k( 14) = ( 0.0000000 0.0000000 0.2721741), wk = 0.0035587 k( 15) = ( 0.0000000 0.0000000 0.2931105), wk = 0.0035587 k( 16) = ( 0.0000000 0.0000000 0.3140470), wk = 0.0035587 k( 17) = ( 0.0000000 0.0000000 0.3349834), wk = 0.0035587 k( 18) = ( 0.0000000 0.0000000 0.3559199), wk = 0.0035587 k( 19) = ( 0.0000000 0.0000000 0.3768564), wk = 0.0035587 k( 20) = ( 0.0000000 0.0000000 0.3977928), wk = 0.0035587 k( 21) = ( 0.0000000 0.0000000 0.4187293), wk = 0.0035587 k( 22) = ( 0.0000000 0.0000000 0.4396658), wk = 0.0035587 k( 23) = ( 0.0000000 0.0000000 0.4606022), wk = 0.0035587 k( 24) = ( 0.0000000 0.0000000 0.4815387), wk = 0.0035587 k( 25) = ( 0.0000000 0.0000000 0.5024752), wk = 0.0035587 k( 26) = ( 0.0000000 0.0000000 0.5234116), wk = 0.0035587 k( 27) = ( 0.0000000 0.0000000 0.5443481), wk = 0.0035587 k( 28) = ( 0.0000000 0.0000000 0.5652846), wk = 0.0035587 k( 29) = ( 0.0000000 0.0000000 0.5862210), wk = 0.0035587 k( 30) = ( 0.0000000 0.0000000 0.6071575), wk = 0.0035587 k( 31) = ( 0.0000000 0.0000000 0.6280940), wk = 0.0035587 k( 32) = ( 0.0000000 0.0000000 0.6490304), wk = 0.0035587 k( 33) = ( 0.0000000 0.0000000 0.6699669), wk = 0.0035587 k( 34) = ( 0.0000000 0.0000000 0.6909033), wk = 0.0035587 k( 35) = ( 0.0000000 0.0000000 0.7118398), wk = 0.0035587 k( 36) = ( 0.0000000 0.0000000 0.7327763), wk = 0.0035587 k( 37) = ( 0.0000000 0.0000000 0.7537127), wk = 0.0035587 k( 38) = ( 0.0000000 0.0000000 0.7746492), wk = 0.0035587 k( 39) = ( 0.0000000 0.0000000 0.7955857), wk = 0.0035587 k( 40) = ( 0.0000000 0.0000000 0.8165221), wk = 0.0035587 k( 41) = ( 0.0000000 0.0000000 0.8374586), wk = 0.0035587 k( 42) = ( 0.0000000 0.0000000 0.8583951), wk = 0.0035587 k( 43) = ( 0.0000000 0.0000000 0.8583951), wk = 0.0035587 k( 44) = ( -0.0116708 0.0162863 0.8583951), wk = 0.0035587 k( 45) = ( -0.0233415 0.0325727 0.8583951), wk = 0.0035587 k( 46) = ( -0.0350123 0.0488590 0.8583951), wk = 0.0035587 k( 47) = ( -0.0466830 0.0651453 0.8583951), wk = 0.0035587 k( 48) = ( -0.0583538 0.0814317 0.8583951), wk = 0.0035587 k( 49) = ( -0.0700246 0.0977180 0.8583951), wk = 0.0035587 k( 50) = ( -0.0816953 0.1140043 0.8583951), wk = 0.0035587 k( 51) = ( -0.0933661 0.1302907 0.8583951), wk = 0.0035587 k( 52) = ( -0.1050369 0.1465770 0.8583951), wk = 0.0035587 k( 53) = ( -0.1167076 0.1628633 0.8583951), wk = 0.0035587 k( 54) = ( -0.1283784 0.1791496 0.8583951), wk = 0.0035587 k( 55) = ( -0.1283784 0.1791496 0.8583951), wk = 0.0035587 k( 56) = ( -0.1368243 0.1909358 0.8438951), wk = 0.0035587 k( 57) = ( -0.1452703 0.2027220 0.8293952), wk = 0.0035587 k( 58) = ( -0.1537162 0.2145081 0.8148953), wk = 0.0035587 k( 59) = ( -0.1621622 0.2262943 0.8003954), wk = 0.0035587 k( 60) = ( -0.1706081 0.2380804 0.7858955), wk = 0.0035587 k( 61) = ( -0.1790541 0.2498666 0.7713956), wk = 0.0035587 k( 62) = ( -0.1875000 0.2616528 0.7568957), wk = 0.0035587 k( 63) = ( -0.1959460 0.2734389 0.7423957), wk = 0.0035587 k( 64) = ( -0.2043919 0.2852251 0.7278958), wk = 0.0035587 k( 65) = ( -0.2128378 0.2970112 0.7133959), wk = 0.0035587 k( 66) = ( -0.2212838 0.3087974 0.6988960), wk = 0.0035587 k( 67) = ( -0.2297297 0.3205836 0.6843961), wk = 0.0035587 k( 68) = ( -0.2381757 0.3323697 0.6698961), wk = 0.0035587 k( 69) = ( -0.2466216 0.3441559 0.6553962), wk = 0.0035587 k( 70) = ( -0.2550676 0.3559421 0.6408963), wk = 0.0035587 k( 71) = ( -0.2635135 0.3677282 0.6263964), wk = 0.0035587 k( 72) = ( -0.2719595 0.3795144 0.6118965), wk = 0.0035587 k( 73) = ( -0.2804054 0.3913005 0.5973966), wk = 0.0035587 k( 74) = ( -0.2888514 0.4030867 0.5828967), wk = 0.0035587 k( 75) = ( -0.2972973 0.4148729 0.5683967), wk = 0.0035587 k( 76) = ( -0.3057432 0.4266590 0.5538968), wk = 0.0035587 k( 77) = ( -0.3141892 0.4384452 0.5393969), wk = 0.0035587 k( 78) = ( -0.3141892 0.4384452 0.5393969), wk = 0.0035587 k( 79) = ( -0.3054617 0.4262661 0.5244137), wk = 0.0035587 k( 80) = ( -0.2967342 0.4140871 0.5094304), wk = 0.0035587 k( 81) = ( -0.2880068 0.4019081 0.4944472), wk = 0.0035587 k( 82) = ( -0.2792793 0.3897290 0.4794639), wk = 0.0035587 k( 83) = ( -0.2705518 0.3775500 0.4644807), wk = 0.0035587 k( 84) = ( -0.2618243 0.3653710 0.4494974), wk = 0.0035587 k( 85) = ( -0.2530968 0.3531919 0.4345142), wk = 0.0035587 k( 86) = ( -0.2443694 0.3410129 0.4195309), wk = 0.0035587 k( 87) = ( -0.2356419 0.3288339 0.4045477), wk = 0.0035587 k( 88) = ( -0.2269144 0.3166549 0.3895644), wk = 0.0035587 k( 89) = ( -0.2181869 0.3044758 0.3745812), wk = 0.0035587 k( 90) = ( -0.2094595 0.2922968 0.3595979), wk = 0.0035587 k( 91) = ( -0.2007320 0.2801177 0.3446147), wk = 0.0035587 k( 92) = ( -0.1920045 0.2679387 0.3296314), wk = 0.0035587 k( 93) = ( -0.1832770 0.2557597 0.3146482), wk = 0.0035587 k( 94) = ( -0.1745495 0.2435807 0.2996649), wk = 0.0035587 k( 95) = ( -0.1658221 0.2314016 0.2846817), wk = 0.0035587 k( 96) = ( -0.1570946 0.2192226 0.2696985), wk = 0.0035587 k( 97) = ( -0.1483671 0.2070436 0.2547152), wk = 0.0035587 k( 98) = ( -0.1396396 0.1948645 0.2397320), wk = 0.0035587 k( 99) = ( -0.1309122 0.1826855 0.2247487), wk = 0.0035587 k( 100) = ( -0.1221847 0.1705065 0.2097655), wk = 0.0035587 k( 101) = ( -0.1134572 0.1583274 0.1947822), wk = 0.0035587 k( 102) = ( -0.1047297 0.1461484 0.1797990), wk = 0.0035587 k( 103) = ( -0.0960022 0.1339694 0.1648157), wk = 0.0035587 k( 104) = ( -0.0872748 0.1217903 0.1498325), wk = 0.0035587 k( 105) = ( -0.0785473 0.1096113 0.1348492), wk = 0.0035587 k( 106) = ( -0.0698198 0.0974323 0.1198660), wk = 0.0035587 k( 107) = ( -0.0610923 0.0852532 0.1048827), wk = 0.0035587 k( 108) = ( -0.0523649 0.0730742 0.0898995), wk = 0.0035587 k( 109) = ( -0.0436374 0.0608952 0.0749162), wk = 0.0035587 k( 110) = ( -0.0349099 0.0487161 0.0599330), wk = 0.0035587 k( 111) = ( -0.0261824 0.0365371 0.0449497), wk = 0.0035587 k( 112) = ( -0.0174550 0.0243581 0.0299665), wk = 0.0035587 k( 113) = ( -0.0087275 0.0121790 0.0149833), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 116) = ( 0.0172414 0.0123551 0.0000000), wk = 0.0035587 k( 117) = ( 0.0344828 0.0247103 0.0000000), wk = 0.0035587 k( 118) = ( 0.0517241 0.0370654 0.0000000), wk = 0.0035587 k( 119) = ( 0.0689655 0.0494206 0.0000000), wk = 0.0035587 k( 120) = ( 0.0862069 0.0617757 0.0000000), wk = 0.0035587 k( 121) = ( 0.1034483 0.0741309 0.0000000), wk = 0.0035587 k( 122) = ( 0.1206897 0.0864860 0.0000000), wk = 0.0035587 k( 123) = ( 0.1379310 0.0988412 0.0000000), wk = 0.0035587 k( 124) = ( 0.1551724 0.1111963 0.0000000), wk = 0.0035587 k( 125) = ( 0.1724138 0.1235515 0.0000000), wk = 0.0035587 k( 126) = ( 0.1896552 0.1359066 0.0000000), wk = 0.0035587 k( 127) = ( 0.2068966 0.1482618 0.0000000), wk = 0.0035587 k( 128) = ( 0.2241379 0.1606169 0.0000000), wk = 0.0035587 k( 129) = ( 0.2413793 0.1729721 0.0000000), wk = 0.0035587 k( 130) = ( 0.2586207 0.1853272 0.0000000), wk = 0.0035587 k( 131) = ( 0.2758621 0.1976824 0.0000000), wk = 0.0035587 k( 132) = ( 0.2931034 0.2100375 0.0000000), wk = 0.0035587 k( 133) = ( 0.3103448 0.2223927 0.0000000), wk = 0.0035587 k( 134) = ( 0.3275862 0.2347478 0.0000000), wk = 0.0035587 k( 135) = ( 0.3448276 0.2471030 0.0000000), wk = 0.0035587 k( 136) = ( 0.3620690 0.2594581 0.0000000), wk = 0.0035587 k( 137) = ( 0.3793103 0.2718133 0.0000000), wk = 0.0035587 k( 138) = ( 0.3965517 0.2841684 0.0000000), wk = 0.0035587 k( 139) = ( 0.4137931 0.2965235 0.0000000), wk = 0.0035587 k( 140) = ( 0.4310345 0.3088787 0.0000000), wk = 0.0035587 k( 141) = ( 0.4482759 0.3212338 0.0000000), wk = 0.0035587 k( 142) = ( 0.4655172 0.3335890 0.0000000), wk = 0.0035587 k( 143) = ( 0.4827586 0.3459441 0.0000000), wk = 0.0035587 k( 144) = ( 0.5000000 0.3582993 0.0000000), wk = 0.0035587 k( 145) = ( 0.5000000 0.3582993 0.0000000), wk = 0.0035587 k( 146) = ( 0.4915541 0.3700855 0.0144999), wk = 0.0035587 k( 147) = ( 0.4831081 0.3818716 0.0289998), wk = 0.0035587 k( 148) = ( 0.4746622 0.3936578 0.0434998), wk = 0.0035587 k( 149) = ( 0.4662162 0.4054439 0.0579997), wk = 0.0035587 k( 150) = ( 0.4577703 0.4172301 0.0724996), wk = 0.0035587 k( 151) = ( 0.4493243 0.4290163 0.0869995), wk = 0.0035587 k( 152) = ( 0.4408784 0.4408024 0.1014994), wk = 0.0035587 k( 153) = ( 0.4324324 0.4525886 0.1159993), wk = 0.0035587 k( 154) = ( 0.4239865 0.4643747 0.1304992), wk = 0.0035587 k( 155) = ( 0.4155405 0.4761609 0.1449992), wk = 0.0035587 k( 156) = ( 0.4070946 0.4879470 0.1594991), wk = 0.0035587 k( 157) = ( 0.3986486 0.4997332 0.1739990), wk = 0.0035587 k( 158) = ( 0.3902027 0.5115194 0.1884989), wk = 0.0035587 k( 159) = ( 0.3817568 0.5233055 0.2029988), wk = 0.0035587 k( 160) = ( 0.3733108 0.5350917 0.2174988), wk = 0.0035587 k( 161) = ( 0.3648649 0.5468779 0.2319987), wk = 0.0035587 k( 162) = ( 0.3564189 0.5586640 0.2464986), wk = 0.0035587 k( 163) = ( 0.3479730 0.5704502 0.2609985), wk = 0.0035587 k( 164) = ( 0.3395270 0.5822363 0.2754984), wk = 0.0035587 k( 165) = ( 0.3310811 0.5940225 0.2899983), wk = 0.0035587 k( 166) = ( 0.3226351 0.6058087 0.3044982), wk = 0.0035587 k( 167) = ( 0.3141892 0.6175948 0.3189982), wk = 0.0035587 k( 168) = ( 0.3141892 0.6175948 0.3189982), wk = 0.0035587 k( 169) = ( 0.2957075 0.6123257 0.3254805), wk = 0.0035587 k( 170) = ( 0.2772258 0.6070566 0.3319628), wk = 0.0035587 k( 171) = ( 0.2587440 0.6017875 0.3384451), wk = 0.0035587 k( 172) = ( 0.2402623 0.5965184 0.3449274), wk = 0.0035587 k( 173) = ( 0.2217806 0.5912493 0.3514097), wk = 0.0035587 k( 174) = ( 0.2032989 0.5859802 0.3578921), wk = 0.0035587 k( 175) = ( 0.1848172 0.5807111 0.3643744), wk = 0.0035587 k( 176) = ( 0.1663354 0.5754420 0.3708567), wk = 0.0035587 k( 177) = ( 0.1478537 0.5701729 0.3773390), wk = 0.0035587 k( 178) = ( 0.1293720 0.5649037 0.3838213), wk = 0.0035587 k( 179) = ( 0.1108903 0.5596346 0.3903036), wk = 0.0035587 k( 180) = ( 0.0924086 0.5543655 0.3967860), wk = 0.0035587 k( 181) = ( 0.0739269 0.5490964 0.4032683), wk = 0.0035587 k( 182) = ( 0.0554451 0.5438273 0.4097506), wk = 0.0035587 k( 183) = ( 0.0369634 0.5385582 0.4162329), wk = 0.0035587 k( 184) = ( 0.0184817 0.5332891 0.4227152), wk = 0.0035587 k( 185) = ( 0.0000000 0.5280200 0.4291975), wk = 0.0035587 k( 186) = ( 0.0000000 0.5280200 0.4291975), wk = 0.0035587 k( 187) = ( 0.0086207 0.5159900 0.4439974), wk = 0.0035587 k( 188) = ( 0.0172414 0.5039600 0.4587974), wk = 0.0035587 k( 189) = ( 0.0258621 0.4919300 0.4735973), wk = 0.0035587 k( 190) = ( 0.0344828 0.4798999 0.4883972), wk = 0.0035587 k( 191) = ( 0.0431035 0.4678699 0.5031971), wk = 0.0035587 k( 192) = ( 0.0517241 0.4558399 0.5179970), wk = 0.0035587 k( 193) = ( 0.0603448 0.4438099 0.5327969), wk = 0.0035587 k( 194) = ( 0.0689655 0.4317799 0.5475969), wk = 0.0035587 k( 195) = ( 0.0775862 0.4197499 0.5623968), wk = 0.0035587 k( 196) = ( 0.0862069 0.4077199 0.5771967), wk = 0.0035587 k( 197) = ( 0.0948276 0.3956899 0.5919966), wk = 0.0035587 k( 198) = ( 0.1034483 0.3836598 0.6067965), wk = 0.0035587 k( 199) = ( 0.1120690 0.3716298 0.6215964), wk = 0.0035587 k( 200) = ( 0.1206897 0.3595998 0.6363964), wk = 0.0035587 k( 201) = ( 0.1293103 0.3475698 0.6511963), wk = 0.0035587 k( 202) = ( 0.1379310 0.3355398 0.6659962), wk = 0.0035587 k( 203) = ( 0.1465517 0.3235098 0.6807961), wk = 0.0035587 k( 204) = ( 0.1551724 0.3114798 0.6955960), wk = 0.0035587 k( 205) = ( 0.1637931 0.2994498 0.7103959), wk = 0.0035587 k( 206) = ( 0.1724138 0.2874198 0.7251958), wk = 0.0035587 k( 207) = ( 0.1810345 0.2753897 0.7399957), wk = 0.0035587 k( 208) = ( 0.1896552 0.2633597 0.7547957), wk = 0.0035587 k( 209) = ( 0.1982759 0.2513297 0.7695956), wk = 0.0035587 k( 210) = ( 0.2068966 0.2392997 0.7843955), wk = 0.0035587 k( 211) = ( 0.2155172 0.2272697 0.7991954), wk = 0.0035587 k( 212) = ( 0.2241379 0.2152397 0.8139953), wk = 0.0035587 k( 213) = ( 0.2327586 0.2032097 0.8287952), wk = 0.0035587 k( 214) = ( 0.2413793 0.1911797 0.8435952), wk = 0.0035587 k( 215) = ( 0.2500000 0.1791496 0.8583951), wk = 0.0035587 k( 216) = ( 0.2500000 0.1791496 0.8583951), wk = 0.0035587 k( 217) = ( 0.2638889 0.1891024 0.8461507), wk = 0.0035587 k( 218) = ( 0.2777778 0.1990552 0.8339063), wk = 0.0035587 k( 219) = ( 0.2916667 0.2090079 0.8216620), wk = 0.0035587 k( 220) = ( 0.3055556 0.2189607 0.8094176), wk = 0.0035587 k( 221) = ( 0.3194444 0.2289134 0.7971732), wk = 0.0035587 k( 222) = ( 0.3333333 0.2388662 0.7849288), wk = 0.0035587 k( 223) = ( 0.3472222 0.2488190 0.7726844), wk = 0.0035587 k( 224) = ( 0.3611111 0.2587717 0.7604401), wk = 0.0035587 k( 225) = ( 0.3750000 0.2687245 0.7481957), wk = 0.0035587 k( 226) = ( 0.3888889 0.2786772 0.7359513), wk = 0.0035587 k( 227) = ( 0.4027778 0.2886300 0.7237070), wk = 0.0035587 k( 228) = ( 0.4166667 0.2985827 0.7114626), wk = 0.0035587 k( 229) = ( 0.4305556 0.3085355 0.6992182), wk = 0.0035587 k( 230) = ( 0.4444444 0.3184883 0.6869738), wk = 0.0035587 k( 231) = ( 0.4583333 0.3284410 0.6747294), wk = 0.0035587 k( 232) = ( 0.4722222 0.3383938 0.6624851), wk = 0.0035587 k( 233) = ( 0.4861111 0.3483465 0.6502407), wk = 0.0035587 k( 234) = ( 0.5000000 0.3582993 0.6379963), wk = 0.0035587 k( 235) = ( 0.5000000 0.3582993 0.6379963), wk = 0.0035587 k( 236) = ( 0.5000000 0.3582993 0.6167298), wk = 0.0035587 k( 237) = ( 0.5000000 0.3582993 0.5954632), wk = 0.0035587 k( 238) = ( 0.5000000 0.3582993 0.5741967), wk = 0.0035587 k( 239) = ( 0.5000000 0.3582993 0.5529302), wk = 0.0035587 k( 240) = ( 0.5000000 0.3582993 0.5316636), wk = 0.0035587 k( 241) = ( 0.5000000 0.3582993 0.5103971), wk = 0.0035587 k( 242) = ( 0.5000000 0.3582993 0.4891305), wk = 0.0035587 k( 243) = ( 0.5000000 0.3582993 0.4678640), wk = 0.0035587 k( 244) = ( 0.5000000 0.3582993 0.4465974), wk = 0.0035587 k( 245) = ( 0.5000000 0.3582993 0.4253309), wk = 0.0035587 k( 246) = ( 0.5000000 0.3582993 0.4040643), wk = 0.0035587 k( 247) = ( 0.5000000 0.3582993 0.3827978), wk = 0.0035587 k( 248) = ( 0.5000000 0.3582993 0.3615312), wk = 0.0035587 k( 249) = ( 0.5000000 0.3582993 0.3402647), wk = 0.0035587 k( 250) = ( 0.5000000 0.3582993 0.3189982), wk = 0.0035587 k( 251) = ( 0.5000000 0.3582993 0.2977316), wk = 0.0035587 k( 252) = ( 0.5000000 0.3582993 0.2764651), wk = 0.0035587 k( 253) = ( 0.5000000 0.3582993 0.2551985), wk = 0.0035587 k( 254) = ( 0.5000000 0.3582993 0.2339320), wk = 0.0035587 k( 255) = ( 0.5000000 0.3582993 0.2126654), wk = 0.0035587 k( 256) = ( 0.5000000 0.3582993 0.1913989), wk = 0.0035587 k( 257) = ( 0.5000000 0.3582993 0.1701324), wk = 0.0035587 k( 258) = ( 0.5000000 0.3582993 0.1488658), wk = 0.0035587 k( 259) = ( 0.5000000 0.3582993 0.1275993), wk = 0.0035587 k( 260) = ( 0.5000000 0.3582993 0.1063327), wk = 0.0035587 k( 261) = ( 0.5000000 0.3582993 0.0850662), wk = 0.0035587 k( 262) = ( 0.5000000 0.3582993 0.0637996), wk = 0.0035587 k( 263) = ( 0.5000000 0.3582993 0.0425331), wk = 0.0035587 k( 264) = ( 0.5000000 0.3582993 0.0212665), wk = 0.0035587 k( 265) = ( 0.5000000 0.3582993 0.0000000), wk = 0.0035587 k( 266) = ( 0.0000000 0.0000000 0.8583951), wk = 0.0035587 k( 267) = ( 0.0166667 0.0119433 0.8583951), wk = 0.0035587 k( 268) = ( 0.0333333 0.0238866 0.8583951), wk = 0.0035587 k( 269) = ( 0.0500000 0.0358299 0.8583951), wk = 0.0035587 k( 270) = ( 0.0666667 0.0477732 0.8583951), wk = 0.0035587 k( 271) = ( 0.0833333 0.0597165 0.8583951), wk = 0.0035587 k( 272) = ( 0.1000000 0.0716599 0.8583951), wk = 0.0035587 k( 273) = ( 0.1166667 0.0836032 0.8583951), wk = 0.0035587 k( 274) = ( 0.1333333 0.0955465 0.8583951), wk = 0.0035587 k( 275) = ( 0.1500000 0.1074898 0.8583951), wk = 0.0035587 k( 276) = ( 0.1666667 0.1194331 0.8583951), wk = 0.0035587 k( 277) = ( 0.1833333 0.1313764 0.8583951), wk = 0.0035587 k( 278) = ( 0.2000000 0.1433197 0.8583951), wk = 0.0035587 k( 279) = ( 0.2166667 0.1552630 0.8583951), wk = 0.0035587 k( 280) = ( 0.2333333 0.1672063 0.8583951), wk = 0.0035587 k( 281) = ( 0.2500000 0.1791496 0.8583951), wk = 0.0035587 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0035587 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0035587 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0035587 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0035587 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0035587 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0035587 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0035587 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0035587 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0035587 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0035587 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0035587 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0035587 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0035587 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0035587 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0035587 k( 17) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0035587 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0035587 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0035587 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0035587 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0035587 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0035587 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0035587 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0035587 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0035587 k( 26) = ( 0.0000000 0.0000000 0.3048780), wk = 0.0035587 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0035587 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0035587 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0035587 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0035587 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0035587 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0035587 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0035587 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0035587 k( 35) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0035587 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0035587 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0035587 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0035587 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0035587 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0035587 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0035587 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 44) = ( -0.0116708 0.0116708 0.5000000), wk = 0.0035587 k( 45) = ( -0.0233415 0.0233415 0.5000000), wk = 0.0035587 k( 46) = ( -0.0350123 0.0350123 0.5000000), wk = 0.0035587 k( 47) = ( -0.0466830 0.0466830 0.5000000), wk = 0.0035587 k( 48) = ( -0.0583538 0.0583538 0.5000000), wk = 0.0035587 k( 49) = ( -0.0700246 0.0700246 0.5000000), wk = 0.0035587 k( 50) = ( -0.0816953 0.0816953 0.5000000), wk = 0.0035587 k( 51) = ( -0.0933661 0.0933661 0.5000000), wk = 0.0035587 k( 52) = ( -0.1050369 0.1050369 0.5000000), wk = 0.0035587 k( 53) = ( -0.1167076 0.1167076 0.5000000), wk = 0.0035587 k( 54) = ( -0.1283784 0.1283784 0.5000000), wk = 0.0035587 k( 55) = ( -0.1283784 0.1283784 0.5000000), wk = 0.0035587 k( 56) = ( -0.1368243 0.1368243 0.4915540), wk = 0.0035587 k( 57) = ( -0.1452703 0.1452703 0.4831081), wk = 0.0035587 k( 58) = ( -0.1537162 0.1537162 0.4746622), wk = 0.0035587 k( 59) = ( -0.1621622 0.1621622 0.4662162), wk = 0.0035587 k( 60) = ( -0.1706081 0.1706081 0.4577703), wk = 0.0035587 k( 61) = ( -0.1790541 0.1790541 0.4493243), wk = 0.0035587 k( 62) = ( -0.1875000 0.1875000 0.4408784), wk = 0.0035587 k( 63) = ( -0.1959460 0.1959459 0.4324324), wk = 0.0035587 k( 64) = ( -0.2043919 0.2043919 0.4239865), wk = 0.0035587 k( 65) = ( -0.2128378 0.2128378 0.4155405), wk = 0.0035587 k( 66) = ( -0.2212838 0.2212838 0.4070946), wk = 0.0035587 k( 67) = ( -0.2297297 0.2297297 0.3986486), wk = 0.0035587 k( 68) = ( -0.2381757 0.2381757 0.3902027), wk = 0.0035587 k( 69) = ( -0.2466216 0.2466216 0.3817568), wk = 0.0035587 k( 70) = ( -0.2550676 0.2550676 0.3733108), wk = 0.0035587 k( 71) = ( -0.2635135 0.2635135 0.3648649), wk = 0.0035587 k( 72) = ( -0.2719595 0.2719595 0.3564189), wk = 0.0035587 k( 73) = ( -0.2804054 0.2804054 0.3479730), wk = 0.0035587 k( 74) = ( -0.2888514 0.2888513 0.3395270), wk = 0.0035587 k( 75) = ( -0.2972973 0.2972973 0.3310811), wk = 0.0035587 k( 76) = ( -0.3057432 0.3057432 0.3226351), wk = 0.0035587 k( 77) = ( -0.3141892 0.3141892 0.3141892), wk = 0.0035587 k( 78) = ( -0.3141892 0.3141892 0.3141892), wk = 0.0035587 k( 79) = ( -0.3054617 0.3054617 0.3054617), wk = 0.0035587 k( 80) = ( -0.2967342 0.2967342 0.2967342), wk = 0.0035587 k( 81) = ( -0.2880068 0.2880068 0.2880068), wk = 0.0035587 k( 82) = ( -0.2792793 0.2792793 0.2792793), wk = 0.0035587 k( 83) = ( -0.2705518 0.2705518 0.2705518), wk = 0.0035587 k( 84) = ( -0.2618243 0.2618243 0.2618243), wk = 0.0035587 k( 85) = ( -0.2530968 0.2530968 0.2530968), wk = 0.0035587 k( 86) = ( -0.2443694 0.2443694 0.2443694), wk = 0.0035587 k( 87) = ( -0.2356419 0.2356419 0.2356419), wk = 0.0035587 k( 88) = ( -0.2269144 0.2269144 0.2269144), wk = 0.0035587 k( 89) = ( -0.2181869 0.2181869 0.2181869), wk = 0.0035587 k( 90) = ( -0.2094595 0.2094595 0.2094595), wk = 0.0035587 k( 91) = ( -0.2007320 0.2007320 0.2007320), wk = 0.0035587 k( 92) = ( -0.1920045 0.1920045 0.1920045), wk = 0.0035587 k( 93) = ( -0.1832770 0.1832770 0.1832770), wk = 0.0035587 k( 94) = ( -0.1745495 0.1745495 0.1745495), wk = 0.0035587 k( 95) = ( -0.1658221 0.1658221 0.1658221), wk = 0.0035587 k( 96) = ( -0.1570946 0.1570946 0.1570946), wk = 0.0035587 k( 97) = ( -0.1483671 0.1483671 0.1483671), wk = 0.0035587 k( 98) = ( -0.1396396 0.1396396 0.1396396), wk = 0.0035587 k( 99) = ( -0.1309122 0.1309122 0.1309122), wk = 0.0035587 k( 100) = ( -0.1221847 0.1221847 0.1221847), wk = 0.0035587 k( 101) = ( -0.1134572 0.1134572 0.1134572), wk = 0.0035587 k( 102) = ( -0.1047297 0.1047297 0.1047297), wk = 0.0035587 k( 103) = ( -0.0960022 0.0960022 0.0960022), wk = 0.0035587 k( 104) = ( -0.0872748 0.0872748 0.0872748), wk = 0.0035587 k( 105) = ( -0.0785473 0.0785473 0.0785473), wk = 0.0035587 k( 106) = ( -0.0698198 0.0698198 0.0698198), wk = 0.0035587 k( 107) = ( -0.0610923 0.0610923 0.0610923), wk = 0.0035587 k( 108) = ( -0.0523649 0.0523649 0.0523649), wk = 0.0035587 k( 109) = ( -0.0436374 0.0436374 0.0436374), wk = 0.0035587 k( 110) = ( -0.0349099 0.0349099 0.0349099), wk = 0.0035587 k( 111) = ( -0.0261824 0.0261824 0.0261824), wk = 0.0035587 k( 112) = ( -0.0174550 0.0174550 0.0174550), wk = 0.0035587 k( 113) = ( -0.0087275 0.0087275 0.0087275), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 116) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0035587 k( 117) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0035587 k( 118) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0035587 k( 119) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0035587 k( 120) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0035587 k( 121) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0035587 k( 122) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0035587 k( 123) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0035587 k( 124) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0035587 k( 125) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0035587 k( 126) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0035587 k( 127) = ( 0.2068966 0.2068966 -0.2068965), wk = 0.0035587 k( 128) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0035587 k( 129) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0035587 k( 130) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0035587 k( 131) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0035587 k( 132) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0035587 k( 133) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0035587 k( 134) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0035587 k( 135) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0035587 k( 136) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0035587 k( 137) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0035587 k( 138) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0035587 k( 139) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0035587 k( 140) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0035587 k( 141) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0035587 k( 142) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0035587 k( 143) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0035587 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035587 k( 145) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035587 k( 146) = ( 0.4915541 0.5084459 -0.4915541), wk = 0.0035587 k( 147) = ( 0.4831081 0.5168919 -0.4831081), wk = 0.0035587 k( 148) = ( 0.4746622 0.5253378 -0.4746622), wk = 0.0035587 k( 149) = ( 0.4662162 0.5337838 -0.4662162), wk = 0.0035587 k( 150) = ( 0.4577703 0.5422297 -0.4577703), wk = 0.0035587 k( 151) = ( 0.4493243 0.5506757 -0.4493243), wk = 0.0035587 k( 152) = ( 0.4408784 0.5591216 -0.4408784), wk = 0.0035587 k( 153) = ( 0.4324324 0.5675676 -0.4324324), wk = 0.0035587 k( 154) = ( 0.4239865 0.5760135 -0.4239865), wk = 0.0035587 k( 155) = ( 0.4155405 0.5844595 -0.4155405), wk = 0.0035587 k( 156) = ( 0.4070946 0.5929054 -0.4070946), wk = 0.0035587 k( 157) = ( 0.3986486 0.6013513 -0.3986486), wk = 0.0035587 k( 158) = ( 0.3902027 0.6097973 -0.3902027), wk = 0.0035587 k( 159) = ( 0.3817568 0.6182432 -0.3817568), wk = 0.0035587 k( 160) = ( 0.3733108 0.6266892 -0.3733108), wk = 0.0035587 k( 161) = ( 0.3648649 0.6351351 -0.3648649), wk = 0.0035587 k( 162) = ( 0.3564189 0.6435811 -0.3564189), wk = 0.0035587 k( 163) = ( 0.3479730 0.6520270 -0.3479730), wk = 0.0035587 k( 164) = ( 0.3395270 0.6604730 -0.3395270), wk = 0.0035587 k( 165) = ( 0.3310811 0.6689189 -0.3310811), wk = 0.0035587 k( 166) = ( 0.3226351 0.6773649 -0.3226351), wk = 0.0035587 k( 167) = ( 0.3141892 0.6858108 -0.3141892), wk = 0.0035587 k( 168) = ( 0.3141892 0.6858108 -0.3141892), wk = 0.0035587 k( 169) = ( 0.2957075 0.6748808 -0.2957075), wk = 0.0035587 k( 170) = ( 0.2772258 0.6639507 -0.2772258), wk = 0.0035587 k( 171) = ( 0.2587440 0.6530207 -0.2587440), wk = 0.0035587 k( 172) = ( 0.2402623 0.6420906 -0.2402623), wk = 0.0035587 k( 173) = ( 0.2217806 0.6311606 -0.2217806), wk = 0.0035587 k( 174) = ( 0.2032989 0.6202305 -0.2032989), wk = 0.0035587 k( 175) = ( 0.1848172 0.6093005 -0.1848172), wk = 0.0035587 k( 176) = ( 0.1663354 0.5983704 -0.1663354), wk = 0.0035587 k( 177) = ( 0.1478537 0.5874404 -0.1478537), wk = 0.0035587 k( 178) = ( 0.1293720 0.5765103 -0.1293720), wk = 0.0035587 k( 179) = ( 0.1108903 0.5655803 -0.1108903), wk = 0.0035587 k( 180) = ( 0.0924086 0.5546502 -0.0924086), wk = 0.0035587 k( 181) = ( 0.0739269 0.5437202 -0.0739269), wk = 0.0035587 k( 182) = ( 0.0554451 0.5327901 -0.0554451), wk = 0.0035587 k( 183) = ( 0.0369634 0.5218601 -0.0369634), wk = 0.0035587 k( 184) = ( 0.0184817 0.5109301 -0.0184817), wk = 0.0035587 k( 185) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 186) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 187) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0035587 k( 188) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0035587 k( 189) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0035587 k( 190) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0035587 k( 191) = ( 0.0431035 0.4568965 0.0431035), wk = 0.0035587 k( 192) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0035587 k( 193) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0035587 k( 194) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0035587 k( 195) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0035587 k( 196) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0035587 k( 197) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0035587 k( 198) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0035587 k( 199) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0035587 k( 200) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0035587 k( 201) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0035587 k( 202) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0035587 k( 203) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0035587 k( 204) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0035587 k( 205) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0035587 k( 206) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0035587 k( 207) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0035587 k( 208) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0035587 k( 209) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0035587 k( 210) = ( 0.2068966 0.2931034 0.2068965), wk = 0.0035587 k( 211) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0035587 k( 212) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0035587 k( 213) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0035587 k( 214) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0035587 k( 215) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035587 k( 216) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035587 k( 217) = ( 0.2638889 0.2638889 0.2289790), wk = 0.0035587 k( 218) = ( 0.2777778 0.2777778 0.2079580), wk = 0.0035587 k( 219) = ( 0.2916667 0.2916667 0.1869369), wk = 0.0035587 k( 220) = ( 0.3055556 0.3055556 0.1659159), wk = 0.0035587 k( 221) = ( 0.3194444 0.3194444 0.1448949), wk = 0.0035587 k( 222) = ( 0.3333333 0.3333333 0.1238739), wk = 0.0035587 k( 223) = ( 0.3472222 0.3472222 0.1028528), wk = 0.0035587 k( 224) = ( 0.3611111 0.3611111 0.0818318), wk = 0.0035587 k( 225) = ( 0.3750000 0.3750000 0.0608108), wk = 0.0035587 k( 226) = ( 0.3888889 0.3888889 0.0397898), wk = 0.0035587 k( 227) = ( 0.4027778 0.4027778 0.0187688), wk = 0.0035587 k( 228) = ( 0.4166667 0.4166667 -0.0022522), wk = 0.0035587 k( 229) = ( 0.4305556 0.4305556 -0.0232733), wk = 0.0035587 k( 230) = ( 0.4444444 0.4444444 -0.0442943), wk = 0.0035587 k( 231) = ( 0.4583333 0.4583333 -0.0653153), wk = 0.0035587 k( 232) = ( 0.4722222 0.4722222 -0.0863363), wk = 0.0035587 k( 233) = ( 0.4861111 0.4861111 -0.1073574), wk = 0.0035587 k( 234) = ( 0.5000000 0.5000000 -0.1283784), wk = 0.0035587 k( 235) = ( 0.5000000 0.5000000 -0.1283784), wk = 0.0035587 k( 236) = ( 0.5000000 0.5000000 -0.1407658), wk = 0.0035587 k( 237) = ( 0.5000000 0.5000000 -0.1531532), wk = 0.0035587 k( 238) = ( 0.5000000 0.5000000 -0.1655405), wk = 0.0035587 k( 239) = ( 0.5000000 0.5000000 -0.1779279), wk = 0.0035587 k( 240) = ( 0.5000000 0.5000000 -0.1903153), wk = 0.0035587 k( 241) = ( 0.5000000 0.5000000 -0.2027027), wk = 0.0035587 k( 242) = ( 0.5000000 0.5000000 -0.2150901), wk = 0.0035587 k( 243) = ( 0.5000000 0.5000000 -0.2274775), wk = 0.0035587 k( 244) = ( 0.5000000 0.5000000 -0.2398649), wk = 0.0035587 k( 245) = ( 0.5000000 0.5000000 -0.2522523), wk = 0.0035587 k( 246) = ( 0.5000000 0.5000000 -0.2646396), wk = 0.0035587 k( 247) = ( 0.5000000 0.5000000 -0.2770270), wk = 0.0035587 k( 248) = ( 0.5000000 0.5000000 -0.2894144), wk = 0.0035587 k( 249) = ( 0.5000000 0.5000000 -0.3018018), wk = 0.0035587 k( 250) = ( 0.5000000 0.5000000 -0.3141892), wk = 0.0035587 k( 251) = ( 0.5000000 0.5000000 -0.3265766), wk = 0.0035587 k( 252) = ( 0.5000000 0.5000000 -0.3389640), wk = 0.0035587 k( 253) = ( 0.5000000 0.5000000 -0.3513514), wk = 0.0035587 k( 254) = ( 0.5000000 0.5000000 -0.3637387), wk = 0.0035587 k( 255) = ( 0.5000000 0.5000000 -0.3761261), wk = 0.0035587 k( 256) = ( 0.5000000 0.5000000 -0.3885135), wk = 0.0035587 k( 257) = ( 0.5000000 0.5000000 -0.4009009), wk = 0.0035587 k( 258) = ( 0.5000000 0.5000000 -0.4132883), wk = 0.0035587 k( 259) = ( 0.5000000 0.5000000 -0.4256757), wk = 0.0035587 k( 260) = ( 0.5000000 0.5000000 -0.4380631), wk = 0.0035587 k( 261) = ( 0.5000000 0.5000000 -0.4504505), wk = 0.0035587 k( 262) = ( 0.5000000 0.5000000 -0.4628378), wk = 0.0035587 k( 263) = ( 0.5000000 0.5000000 -0.4752252), wk = 0.0035587 k( 264) = ( 0.5000000 0.5000000 -0.4876126), wk = 0.0035587 k( 265) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035587 k( 266) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 267) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0035587 k( 268) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0035587 k( 269) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0035587 k( 270) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0035587 k( 271) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0035587 k( 272) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0035587 k( 273) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0035587 k( 274) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0035587 k( 275) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0035587 k( 276) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035587 k( 277) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0035587 k( 278) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0035587 k( 279) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0035587 k( 280) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0035587 k( 281) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035587 Dense grid: 70571 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 47945 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 340, 70) NL pseudopotentials 0.50 Mb ( 170, 192) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1961) G-vector shells 0.01 Mb ( 881) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.45 Mb ( 340, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.41 Mb ( 192, 2, 70) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./FeSixCuSe2x2.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 5.1 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.8 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.2 secs Computing kpt #: 8 total cpu time spent up to now is 13.3 secs Computing kpt #: 9 total cpu time spent up to now is 14.4 secs Computing kpt #: 10 total cpu time spent up to now is 15.5 secs Computing kpt #: 11 total cpu time spent up to now is 16.6 secs Computing kpt #: 12 total cpu time spent up to now is 17.7 secs Computing kpt #: 13 total cpu time spent up to now is 18.8 secs Computing kpt #: 14 total cpu time spent up to now is 19.9 secs Computing kpt #: 15 total cpu time spent up to now is 21.0 secs Computing kpt #: 16 total cpu time spent up to now is 22.1 secs Computing kpt #: 17 total cpu time spent up to now is 23.2 secs Computing kpt #: 18 total cpu time spent up to now is 24.3 secs Computing kpt #: 19 total cpu time spent up to now is 25.4 secs Computing kpt #: 20 total cpu time spent up to now is 26.5 secs Computing kpt #: 21 total cpu time spent up to now is 27.6 secs Computing kpt #: 22 total cpu time spent up to now is 28.7 secs Computing kpt #: 23 total cpu time spent up to now is 29.8 secs Computing kpt #: 24 total cpu time spent up to now is 31.0 secs Computing kpt #: 25 total cpu time spent up to now is 32.1 secs Computing kpt #: 26 total cpu time spent up to now is 33.2 secs Computing kpt #: 27 total cpu time spent up to now is 34.3 secs Computing kpt #: 28 total cpu time spent up to now is 35.4 secs Computing kpt #: 29 total cpu time spent up to now is 36.5 secs Computing kpt #: 30 total cpu time spent up to now is 37.6 secs Computing kpt #: 31 total cpu time spent up to now is 38.7 secs Computing kpt #: 32 total cpu time spent up to now is 39.8 secs Computing kpt #: 33 total cpu time spent up to now is 41.0 secs Computing kpt #: 34 total cpu time spent up to now is 42.1 secs Computing kpt #: 35 total cpu time spent up to now is 43.2 secs Computing kpt #: 36 total cpu time spent up to now is 44.3 secs Computing kpt #: 37 total cpu time spent up to now is 45.4 secs Computing kpt #: 38 total cpu time spent up to now is 46.5 secs Computing kpt #: 39 total cpu time spent up to now is 47.6 secs Computing kpt #: 40 total cpu time spent up to now is 48.7 secs Computing kpt #: 41 total cpu time spent up to now is 49.8 secs Computing kpt #: 42 total cpu time spent up to now is 50.9 secs Computing kpt #: 43 total cpu time spent up to now is 52.0 secs Computing kpt #: 44 total cpu time spent up to now is 53.1 secs Computing kpt #: 45 total cpu time spent up to now is 54.2 secs Computing kpt #: 46 total cpu time spent up to now is 55.3 secs Computing kpt #: 47 total cpu time spent up to now is 56.4 secs Computing kpt #: 48 total cpu time spent up to now is 57.5 secs Computing kpt #: 49 total cpu time spent up to now is 58.6 secs Computing kpt #: 50 total cpu time spent up to now is 59.6 secs Computing kpt #: 51 total cpu time spent up to now is 60.7 secs Computing kpt #: 52 total cpu time spent up to now is 61.8 secs Computing kpt #: 53 total cpu time spent up to now is 62.9 secs Computing kpt #: 54 total cpu time spent up to now is 64.0 secs Computing kpt #: 55 total cpu time spent up to now is 65.1 secs Computing kpt #: 56 total cpu time spent up to now is 66.1 secs Computing kpt #: 57 total cpu time spent up to now is 67.2 secs Computing kpt #: 58 total cpu time spent up to now is 68.3 secs Computing kpt #: 59 total cpu time spent up to now is 69.3 secs Computing kpt #: 60 total cpu time spent up to now is 70.4 secs Computing kpt #: 61 total cpu time spent up to now is 71.5 secs Computing kpt #: 62 total cpu time spent up to now is 72.6 secs Computing kpt #: 63 total cpu time spent up to now is 73.8 secs Computing kpt #: 64 total cpu time spent up to now is 74.9 secs Computing kpt #: 65 total cpu time spent up to now is 75.9 secs Computing kpt #: 66 total cpu time spent up to now is 77.0 secs Computing kpt #: 67 total cpu time spent up to now is 78.1 secs Computing kpt #: 68 total cpu time spent up to now is 79.2 secs Computing kpt #: 69 total cpu time spent up to now is 80.3 secs Computing kpt #: 70 total cpu time spent up to now is 81.4 secs Computing kpt #: 71 total cpu time spent up to now is 82.5 secs Computing kpt #: 72 total cpu time spent up to now is 83.6 secs Computing kpt #: 73 total cpu time spent up to now is 84.8 secs Computing kpt #: 74 total cpu time spent up to now is 85.9 secs Computing kpt #: 75 total cpu time spent up to now is 87.0 secs Computing kpt #: 76 total cpu time spent up to now is 88.2 secs Computing kpt #: 77 total cpu time spent up to now is 89.3 secs Computing kpt #: 78 total cpu time spent up to now is 90.4 secs Computing kpt #: 79 total cpu time spent up to now is 91.7 secs Computing kpt #: 80 total cpu time spent up to now is 93.0 secs Computing kpt #: 81 total cpu time spent up to now is 94.3 secs Computing kpt #: 82 total cpu time spent up to now is 95.6 secs Computing kpt #: 83 total cpu time spent up to now is 96.9 secs Computing kpt #: 84 total cpu time spent up to now is 98.2 secs Computing kpt #: 85 total cpu time spent up to now is 99.3 secs Computing kpt #: 86 total cpu time spent up to now is 100.6 secs Computing kpt #: 87 total cpu time spent up to now is 101.9 secs Computing kpt #: 88 total cpu time spent up to now is 103.1 secs Computing kpt #: 89 total cpu time spent up to now is 104.2 secs Computing kpt #: 90 total cpu time spent up to now is 105.3 secs Computing kpt #: 91 total cpu time spent up to now is 106.4 secs Computing kpt #: 92 total cpu time spent up to now is 107.5 secs Computing kpt #: 93 total cpu time spent up to now is 108.8 secs Computing kpt #: 94 total cpu time spent up to now is 109.9 secs Computing kpt #: 95 total cpu time spent up to now is 110.9 secs Computing kpt #: 96 total cpu time spent up to now is 112.0 secs Computing kpt #: 97 total cpu time spent up to now is 113.0 secs Computing kpt #: 98 total cpu time spent up to now is 114.1 secs Computing kpt #: 99 total cpu time spent up to now is 115.2 secs Computing kpt #: 100 total cpu time spent up to now is 116.3 secs Computing kpt #: 101 total cpu time spent up to now is 117.4 secs Computing kpt #: 102 total cpu time spent up to now is 118.5 secs Computing kpt #: 103 total cpu time spent up to now is 119.6 secs Computing kpt #: 104 total cpu time spent up to now is 120.8 secs Computing kpt #: 105 total cpu time spent up to now is 122.0 secs Computing kpt #: 106 total cpu time spent up to now is 123.2 secs Computing kpt #: 107 total cpu time spent up to now is 124.4 secs Computing kpt #: 108 total cpu time spent up to now is 125.7 secs Computing kpt #: 109 total cpu time spent up to now is 127.0 secs Computing kpt #: 110 total cpu time spent up to now is 128.2 secs Computing kpt #: 111 total cpu time spent up to now is 129.3 secs Computing kpt #: 112 total cpu time spent up to now is 130.6 secs Computing kpt #: 113 total cpu time spent up to now is 131.7 secs Computing kpt #: 114 total cpu time spent up to now is 132.9 secs Computing kpt #: 115 total cpu time spent up to now is 134.2 secs Computing kpt #: 116 total cpu time spent up to now is 135.7 secs Computing kpt #: 117 total cpu time spent up to now is 136.8 secs Computing kpt #: 118 total cpu time spent up to now is 138.0 secs Computing kpt #: 119 total cpu time spent up to now is 139.1 secs Computing kpt #: 120 total cpu time spent up to now is 140.3 secs Computing kpt #: 121 total cpu time spent up to now is 141.6 secs Computing kpt #: 122 total cpu time spent up to now is 142.9 secs Computing kpt #: 123 total cpu time spent up to now is 144.1 secs Computing kpt #: 124 total cpu time spent up to now is 145.3 secs Computing kpt #: 125 total cpu time spent up to now is 146.4 secs Computing kpt #: 126 total cpu time spent up to now is 147.6 secs Computing kpt #: 127 total cpu time spent up to now is 148.9 secs Computing kpt #: 128 total cpu time spent up to now is 150.1 secs Computing kpt #: 129 total cpu time spent up to now is 151.2 secs Computing kpt #: 130 total cpu time spent up to now is 152.4 secs Computing kpt #: 131 total cpu time spent up to now is 153.5 secs Computing kpt #: 132 total cpu time spent up to now is 154.6 secs Computing kpt #: 133 total cpu time spent up to now is 155.7 secs Computing kpt #: 134 total cpu time spent up to now is 156.8 secs Computing kpt #: 135 total cpu time spent up to now is 157.9 secs Computing kpt #: 136 total cpu time spent up to now is 159.0 secs Computing kpt #: 137 total cpu time spent up to now is 160.0 secs Computing kpt #: 138 total cpu time spent up to now is 161.1 secs Computing kpt #: 139 total cpu time spent up to now is 162.2 secs Computing kpt #: 140 total cpu time spent up to now is 163.3 secs Computing kpt #: 141 total cpu time spent up to now is 164.3 secs Computing kpt #: 142 total cpu time spent up to now is 165.4 secs Computing kpt #: 143 total cpu time spent up to now is 166.4 secs Computing kpt #: 144 total cpu time spent up to now is 167.4 secs Computing kpt #: 145 total cpu time spent up to now is 168.5 secs Computing kpt #: 146 total cpu time spent up to now is 169.5 secs Computing kpt #: 147 total cpu time spent up to now is 170.6 secs Computing kpt #: 148 total cpu time spent up to now is 171.6 secs Computing kpt #: 149 total cpu time spent up to now is 172.7 secs Computing kpt #: 150 total cpu time spent up to now is 173.8 secs Computing kpt #: 151 total cpu time spent up to now is 174.8 secs Computing kpt #: 152 total cpu time spent up to now is 175.9 secs Computing kpt #: 153 total cpu time spent up to now is 177.0 secs Computing kpt #: 154 total cpu time spent up to now is 178.0 secs Computing kpt #: 155 total cpu time spent up to now is 179.1 secs Computing kpt #: 156 total cpu time spent up to now is 180.1 secs Computing kpt #: 157 total cpu time spent up to now is 181.1 secs Computing kpt #: 158 total cpu time spent up to now is 182.2 secs Computing kpt #: 159 total cpu time spent up to now is 183.3 secs Computing kpt #: 160 total cpu time spent up to now is 184.4 secs Computing kpt #: 161 total cpu time spent up to now is 185.4 secs Computing kpt #: 162 total cpu time spent up to now is 186.5 secs Computing kpt #: 163 total cpu time spent up to now is 187.6 secs Computing kpt #: 164 total cpu time spent up to now is 188.7 secs Computing kpt #: 165 total cpu time spent up to now is 189.8 secs Computing kpt #: 166 total cpu time spent up to now is 190.9 secs Computing kpt #: 167 total cpu time spent up to now is 192.0 secs Computing kpt #: 168 total cpu time spent up to now is 193.2 secs Computing kpt #: 169 total cpu time spent up to now is 194.3 secs Computing kpt #: 170 total cpu time spent up to now is 195.4 secs Computing kpt #: 171 total cpu time spent up to now is 196.7 secs Computing kpt #: 172 total cpu time spent up to now is 198.0 secs Computing kpt #: 173 total cpu time spent up to now is 199.1 secs Computing kpt #: 174 total cpu time spent up to now is 200.2 secs Computing kpt #: 175 total cpu time spent up to now is 201.3 secs Computing kpt #: 176 total cpu time spent up to now is 202.5 secs Computing kpt #: 177 total cpu time spent up to now is 203.6 secs Computing kpt #: 178 total cpu time spent up to now is 204.9 secs Computing kpt #: 179 total cpu time spent up to now is 206.2 secs Computing kpt #: 180 total cpu time spent up to now is 207.5 secs Computing kpt #: 181 total cpu time spent up to now is 208.8 secs Computing kpt #: 182 total cpu time spent up to now is 210.1 secs Computing kpt #: 183 total cpu time spent up to now is 211.4 secs Computing kpt #: 184 total cpu time spent up to now is 212.7 secs Computing kpt #: 185 total cpu time spent up to now is 214.0 secs Computing kpt #: 186 total cpu time spent up to now is 215.2 secs Computing kpt #: 187 total cpu time spent up to now is 216.4 secs Computing kpt #: 188 total cpu time spent up to now is 217.6 secs Computing kpt #: 189 total cpu time spent up to now is 218.7 secs Computing kpt #: 190 total cpu time spent up to now is 219.9 secs Computing kpt #: 191 total cpu time spent up to now is 221.0 secs Computing kpt #: 192 total cpu time spent up to now is 222.2 secs Computing kpt #: 193 total cpu time spent up to now is 223.3 secs Computing kpt #: 194 total cpu time spent up to now is 224.4 secs Computing kpt #: 195 total cpu time spent up to now is 225.5 secs Computing kpt #: 196 total cpu time spent up to now is 226.6 secs Computing kpt #: 197 total cpu time spent up to now is 227.7 secs Computing kpt #: 198 total cpu time spent up to now is 228.8 secs Computing kpt #: 199 total cpu time spent up to now is 229.9 secs Computing kpt #: 200 total cpu time spent up to now is 231.0 secs Computing kpt #: 201 total cpu time spent up to now is 232.0 secs Computing kpt #: 202 total cpu time spent up to now is 233.1 secs Computing kpt #: 203 total cpu time spent up to now is 234.2 secs Computing kpt #: 204 total cpu time spent up to now is 235.2 secs Computing kpt #: 205 total cpu time spent up to now is 236.3 secs Computing kpt #: 206 total cpu time spent up to now is 237.4 secs Computing kpt #: 207 total cpu time spent up to now is 238.4 secs Computing kpt #: 208 total cpu time spent up to now is 239.5 secs Computing kpt #: 209 total cpu time spent up to now is 240.6 secs Computing kpt #: 210 total cpu time spent up to now is 241.6 secs Computing kpt #: 211 total cpu time spent up to now is 242.7 secs Computing kpt #: 212 total cpu time spent up to now is 243.7 secs Computing kpt #: 213 total cpu time spent up to now is 244.7 secs Computing kpt #: 214 total cpu time spent up to now is 245.8 secs Computing kpt #: 215 total cpu time spent up to now is 246.8 secs Computing kpt #: 216 total cpu time spent up to now is 247.8 secs Computing kpt #: 217 total cpu time spent up to now is 248.9 secs Computing kpt #: 218 total cpu time spent up to now is 249.9 secs Computing kpt #: 219 total cpu time spent up to now is 250.9 secs Computing kpt #: 220 total cpu time spent up to now is 252.0 secs Computing kpt #: 221 total cpu time spent up to now is 253.0 secs Computing kpt #: 222 total cpu time spent up to now is 254.2 secs Computing kpt #: 223 total cpu time spent up to now is 255.2 secs Computing kpt #: 224 total cpu time spent up to now is 256.4 secs Computing kpt #: 225 total cpu time spent up to now is 257.4 secs Computing kpt #: 226 total cpu time spent up to now is 258.6 secs Computing kpt #: 227 total cpu time spent up to now is 259.6 secs Computing kpt #: 228 total cpu time spent up to now is 260.7 secs Computing kpt #: 229 total cpu time spent up to now is 261.8 secs Computing kpt #: 230 total cpu time spent up to now is 262.9 secs Computing kpt #: 231 total cpu time spent up to now is 264.0 secs Computing kpt #: 232 total cpu time spent up to now is 265.1 secs Computing kpt #: 233 total cpu time spent up to now is 266.2 secs Computing kpt #: 234 total cpu time spent up to now is 267.2 secs Computing kpt #: 235 total cpu time spent up to now is 268.3 secs Computing kpt #: 236 total cpu time spent up to now is 269.4 secs Computing kpt #: 237 total cpu time spent up to now is 270.4 secs Computing kpt #: 238 total cpu time spent up to now is 271.5 secs Computing kpt #: 239 total cpu time spent up to now is 272.5 secs Computing kpt #: 240 total cpu time spent up to now is 273.6 secs Computing kpt #: 241 total cpu time spent up to now is 274.7 secs Computing kpt #: 242 total cpu time spent up to now is 275.8 secs Computing kpt #: 243 total cpu time spent up to now is 276.8 secs Computing kpt #: 244 total cpu time spent up to now is 278.0 secs Computing kpt #: 245 total cpu time spent up to now is 279.1 secs Computing kpt #: 246 total cpu time spent up to now is 280.2 secs Computing kpt #: 247 total cpu time spent up to now is 281.4 secs Computing kpt #: 248 total cpu time spent up to now is 282.5 secs Computing kpt #: 249 total cpu time spent up to now is 284.1 secs Computing kpt #: 250 total cpu time spent up to now is 285.2 secs Computing kpt #: 251 total cpu time spent up to now is 286.3 secs Computing kpt #: 252 total cpu time spent up to now is 287.4 secs Computing kpt #: 253 total cpu time spent up to now is 288.5 secs Computing kpt #: 254 total cpu time spent up to now is 289.6 secs Computing kpt #: 255 total cpu time spent up to now is 290.7 secs Computing kpt #: 256 total cpu time spent up to now is 291.8 secs Computing kpt #: 257 total cpu time spent up to now is 292.9 secs Computing kpt #: 258 total cpu time spent up to now is 294.0 secs Computing kpt #: 259 total cpu time spent up to now is 295.1 secs Computing kpt #: 260 total cpu time spent up to now is 296.2 secs Computing kpt #: 261 total cpu time spent up to now is 297.2 secs Computing kpt #: 262 total cpu time spent up to now is 298.3 secs Computing kpt #: 263 total cpu time spent up to now is 299.4 secs Computing kpt #: 264 total cpu time spent up to now is 300.4 secs Computing kpt #: 265 total cpu time spent up to now is 301.5 secs Computing kpt #: 266 total cpu time spent up to now is 302.6 secs Computing kpt #: 267 total cpu time spent up to now is 303.7 secs Computing kpt #: 268 total cpu time spent up to now is 304.8 secs Computing kpt #: 269 total cpu time spent up to now is 305.9 secs Computing kpt #: 270 total cpu time spent up to now is 307.0 secs Computing kpt #: 271 total cpu time spent up to now is 308.1 secs Computing kpt #: 272 total cpu time spent up to now is 309.2 secs Computing kpt #: 273 total cpu time spent up to now is 310.3 secs Computing kpt #: 274 total cpu time spent up to now is 311.4 secs Computing kpt #: 275 total cpu time spent up to now is 312.5 secs Computing kpt #: 276 total cpu time spent up to now is 313.5 secs Computing kpt #: 277 total cpu time spent up to now is 314.6 secs Computing kpt #: 278 total cpu time spent up to now is 315.6 secs Computing kpt #: 279 total cpu time spent up to now is 316.7 secs Computing kpt #: 280 total cpu time spent up to now is 317.8 secs Computing kpt #: 281 total cpu time spent up to now is 319.0 secs ethr = 1.72E-08, avg # of iterations = 18.2 total cpu time spent up to now is 319.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5979 PWs) bands (ev): -8.1823 -8.1823 -6.6749 -6.6749 -6.6462 -6.6462 -6.6420 -6.6420 -1.7057 -1.7057 1.2888 1.2888 1.6506 1.6506 1.8161 1.8161 1.8824 1.8824 1.8947 1.8947 2.2763 2.2763 2.9846 2.9846 3.0373 3.0373 3.0756 3.0756 3.5721 3.5721 3.6363 3.6363 4.3337 4.3337 4.3882 4.3882 4.4002 4.4002 4.4888 4.4888 4.5890 4.5890 4.5985 4.5985 4.6693 4.6693 5.4401 5.4401 5.9355 5.9355 5.9607 5.9607 6.2081 6.2081 6.6277 6.6277 7.3268 7.3268 7.3915 7.3915 7.4890 7.4890 7.8404 7.8404 8.8015 8.8015 10.1613 10.1613 10.4328 10.4328 k = 0.0000 0.0000 0.0209 ( 5974 PWs) bands (ev): -8.1817 -8.1817 -6.6752 -6.6750 -6.6467 -6.6466 -6.6424 -6.6424 -1.7051 -1.7049 1.2863 1.2912 1.6448 1.6468 1.8031 1.8044 1.8779 1.8783 1.9123 1.9197 2.2734 2.2836 2.9829 2.9850 3.0356 3.0378 3.0751 3.0761 3.5692 3.5717 3.6337 3.6354 4.3224 4.3441 4.3847 4.3896 4.3919 4.4133 4.4864 4.4920 4.5762 4.5931 4.5958 4.6130 4.6701 4.6714 5.4388 5.4402 5.9325 5.9354 5.9580 5.9600 6.2069 6.2100 6.6276 6.6287 7.3199 7.3236 7.3798 7.3895 7.4839 7.4887 7.8523 7.8579 8.8052 8.8070 10.1630 10.1668 10.4315 10.4323 k = 0.0000 0.0000 0.0419 ( 5982 PWs) bands (ev): -8.1797 -8.1797 -6.6757 -6.6753 -6.6481 -6.6479 -6.6438 -6.6438 -1.7032 -1.7028 1.2836 1.2934 1.6320 1.6328 1.7669 1.7856 1.8788 1.8941 1.9394 1.9568 2.2753 2.2951 2.9800 2.9839 3.0329 3.0369 3.0745 3.0763 3.5625 3.5682 3.6274 3.6312 4.3112 4.3527 4.3768 4.3904 4.3911 4.4288 4.4847 4.4961 4.5639 4.5916 4.6000 4.6320 4.6735 4.6772 5.4365 5.4392 5.9259 5.9319 5.9529 5.9567 6.2064 6.2127 6.6283 6.6305 7.3006 7.3043 7.3636 7.3791 7.4748 7.4830 7.8900 7.8998 8.8178 8.8213 10.1718 10.1796 10.4285 10.4301 k = 0.0000 0.0000 0.0628 ( 5972 PWs) bands (ev): -8.1764 -8.1764 -6.6767 -6.6761 -6.6502 -6.6500 -6.6461 -6.6460 -1.6999 -1.6993 1.2806 1.2952 1.6077 1.6175 1.7237 1.7660 1.8891 1.9172 1.9699 1.9944 2.2819 2.3103 2.9753 2.9810 3.0294 3.0351 3.0742 3.0762 3.5516 3.5616 3.6177 3.6247 4.3010 4.3592 4.3690 4.3910 4.3931 4.4457 4.4835 4.5009 4.5546 4.5929 4.6037 4.6511 4.6793 4.6886 5.4328 5.4369 5.9142 5.9234 5.9468 5.9523 6.2065 6.2162 6.6300 6.6331 7.2653 7.2671 7.3542 7.3695 7.4625 7.4730 7.9453 7.9576 8.8391 8.8442 10.1875 10.1993 10.4239 10.4261 k = 0.0000 0.0000 0.0837 ( 5976 PWs) bands (ev): -8.1719 -8.1718 -6.6781 -6.6774 -6.6531 -6.6528 -6.6492 -6.6490 -1.6953 -1.6945 1.2772 1.2964 1.5762 1.6013 1.6781 1.7479 1.9056 1.9433 2.0018 2.0308 2.2933 2.3288 2.9685 2.9753 3.0256 3.0328 3.0744 3.0760 3.5364 3.5516 3.6056 3.6165 4.2920 4.3623 4.3639 4.3922 4.3956 4.4614 4.4827 4.5065 4.5489 4.5976 4.6073 4.6672 4.6875 4.7078 5.4277 5.4334 5.8972 5.9092 5.9410 5.9483 6.2072 6.2205 6.6325 6.6365 7.2155 7.2236 7.3487 7.3627 7.4472 7.4594 8.0106 8.0248 8.8686 8.8752 10.2098 10.2256 10.4178 10.4198 k = 0.0000 0.0000 0.1047 ( 5974 PWs) bands (ev): -8.1660 -8.1660 -6.6804 -6.6797 -6.6566 -6.6561 -6.6529 -6.6526 -1.6895 -1.6885 1.2731 1.2965 1.5399 1.5855 1.6319 1.7320 1.9257 1.9711 2.0343 2.0659 2.3091 2.3500 2.9588 2.9663 3.0219 3.0308 3.0749 3.0758 3.5168 3.5380 3.5921 3.6073 4.2846 4.3572 4.3671 4.3941 4.3986 4.4731 4.4823 4.5135 4.5474 4.6070 4.6109 4.6801 4.6985 4.7345 5.4208 5.4283 5.8756 5.8903 5.9354 5.9446 6.2085 6.2256 6.6358 6.6406 7.1622 7.1757 7.3438 7.3575 7.4291 7.4424 8.0810 8.0969 8.9057 8.9135 10.2377 10.2573 10.4103 10.4104 k = 0.0000 0.0000 0.1256 ( 5984 PWs) bands (ev): -8.1589 -8.1588 -6.6839 -6.6833 -6.6605 -6.6597 -6.6569 -6.6566 -1.6826 -1.6814 1.2682 1.2950 1.5004 1.5683 1.5883 1.7190 1.9477 2.0001 2.0666 2.0997 2.3288 2.3734 2.9459 2.9533 3.0189 3.0296 3.0757 3.0757 3.4934 3.5203 3.5784 3.5974 4.2786 4.3536 4.3694 4.3964 4.4020 4.4789 4.4820 4.5217 4.5495 4.6147 4.6215 4.6917 4.7130 4.7663 5.4118 5.4214 5.8506 5.8677 5.9295 5.9406 6.2104 6.2314 6.6399 6.6452 7.1088 7.1270 7.3378 7.3523 7.4089 7.4224 8.1534 8.1711 8.9498 8.9585 10.2695 10.2918 10.3981 10.4018 k = 0.0000 0.0000 0.1466 ( 5976 PWs) bands (ev): -8.1505 -8.1505 -6.6889 -6.6885 -6.6650 -6.6640 -6.6607 -6.6602 -1.6746 -1.6731 1.2623 1.2917 1.4589 1.5319 1.5665 1.7088 1.9706 2.0300 2.0986 2.1326 2.3517 2.3985 2.9296 2.9364 3.0165 3.0294 3.0756 3.0768 3.4672 3.4989 3.5652 3.5870 4.2739 4.3517 4.3710 4.3994 4.4061 4.4804 4.4817 4.5306 4.5540 4.6189 4.6399 4.7031 4.7322 4.8019 5.4005 5.4124 5.8236 5.8427 5.9233 5.9362 6.2131 6.2379 6.6449 6.6506 7.0568 7.0794 7.3291 7.3461 7.3881 7.4005 8.2256 8.2452 9.0000 9.0095 10.3013 10.3224 10.3842 10.3919 k = 0.0000 0.0000 0.1675 ( 5968 PWs) bands (ev): -8.1409 -8.1409 -6.6954 -6.6953 -6.6706 -6.6694 -6.6636 -6.6627 -1.6657 -1.6640 1.2555 1.2862 1.4160 1.4857 1.5576 1.7012 1.9937 2.0605 2.1301 2.1650 2.3772 2.4248 2.9100 2.9158 3.0148 3.0300 3.0756 3.0780 3.4391 3.4747 3.5524 3.5762 4.2704 4.3515 4.3723 4.4028 4.4107 4.4794 4.4815 4.5399 4.5596 4.6237 4.6595 4.7144 4.7575 4.8405 5.3864 5.4011 5.7956 5.8164 5.9168 5.9314 6.2165 6.2451 6.6506 6.6566 7.0074 7.0340 7.3149 7.3365 7.3697 7.3789 8.2958 8.3178 9.0556 9.0656 10.3265 10.3394 10.3694 10.3802 k = 0.0000 0.0000 0.1884 ( 5968 PWs) bands (ev): -8.1301 -8.1301 -6.7037 -6.7035 -6.6769 -6.6757 -6.6659 -6.6645 -1.6560 -1.6540 1.2479 1.2785 1.3723 1.4391 1.5524 1.6957 2.0168 2.0915 2.1612 2.1974 2.4044 2.4519 2.8873 2.8917 3.0135 3.0313 3.0758 3.0792 3.4102 3.4489 3.5401 3.5650 4.2677 4.3529 4.3734 4.4067 4.4158 4.4773 4.4812 4.5494 4.5662 4.6294 4.6778 4.7257 4.7897 4.8817 5.3694 5.3873 5.7675 5.7895 5.9097 5.9259 6.2207 6.2530 6.6570 6.6630 6.9609 6.9912 7.2932 7.3191 7.3562 7.3621 8.3630 8.3874 9.1158 9.1260 10.3392 10.3393 10.3578 10.3671 k = 0.0000 0.0000 0.2094 ( 5982 PWs) bands (ev): -8.1181 -8.1181 -6.7133 -6.7129 -6.6840 -6.6827 -6.6678 -6.6661 -1.6456 -1.6433 1.2395 1.2683 1.3281 1.3935 1.5497 1.6918 2.0399 2.1225 2.1921 2.2301 2.4326 2.4794 2.8618 2.8645 3.0127 3.0331 3.0760 3.0805 3.3814 3.4226 3.5279 3.5535 4.2658 4.3556 4.3744 4.4113 4.4215 4.4746 4.4807 4.5580 4.5750 4.6361 4.6940 4.7368 4.8282 4.9251 5.3493 5.3709 5.7398 5.7628 5.9022 5.9198 6.2257 6.2614 6.6641 6.6697 6.9176 6.9515 7.2651 7.2928 7.3469 7.3519 8.4263 8.4532 9.1797 9.1902 10.3244 10.3388 10.3536 10.3556 k = 0.0000 0.0000 0.2303 ( 5996 PWs) bands (ev): -8.1051 -8.1050 -6.7239 -6.7234 -6.6917 -6.6902 -6.6695 -6.6676 -1.6346 -1.6320 1.2307 1.2551 1.2840 1.3506 1.5484 1.6886 2.0630 2.1531 2.2232 2.2635 2.4613 2.5070 2.8338 2.8346 3.0120 3.0352 3.0763 3.0817 3.3538 3.3966 3.5159 3.5418 4.2645 4.3596 4.3755 4.4162 4.4276 4.4718 4.4801 4.5644 4.5877 4.6441 4.7086 4.7480 4.8717 4.9707 5.3264 5.3520 5.7130 5.7366 5.8942 5.9132 6.2315 6.2704 6.6717 6.6766 6.8779 6.9148 7.2332 7.2612 7.3398 7.3449 8.4849 8.5144 9.2465 9.2573 10.3039 10.3246 10.3515 10.3520 k = 0.0000 0.0000 0.2512 ( 5996 PWs) bands (ev): -8.0909 -8.0909 -6.7353 -6.7347 -6.6998 -6.6983 -6.6713 -6.6691 -1.6232 -1.6203 1.2206 1.2367 1.2412 1.3130 1.5476 1.6851 2.0863 2.1830 2.2550 2.2976 2.4899 2.5343 2.8024 2.8038 3.0115 3.0376 3.0767 3.0828 3.3281 3.3718 3.5040 3.5300 4.2638 4.3644 4.3767 4.4218 4.4342 4.4689 4.4794 4.5691 4.6037 4.6537 4.7220 4.7592 4.9190 5.0180 5.3008 5.3310 5.6871 5.7111 5.8859 5.9061 6.2384 6.2800 6.6798 6.6835 6.8420 6.8813 7.1993 7.2272 7.3337 7.3392 8.5386 8.5707 9.3154 9.3266 10.2809 10.3043 10.3503 10.3520 k = 0.0000 0.0000 0.2722 ( 5986 PWs) bands (ev): -8.0757 -8.0757 -6.7475 -6.7468 -6.7084 -6.7068 -6.6732 -6.6708 -1.6116 -1.6083 1.1930 1.2098 1.2165 1.2849 1.5461 1.6806 2.1100 2.2116 2.2879 2.3325 2.5180 2.5610 2.7686 2.7725 3.0110 3.0402 3.0771 3.0837 3.3048 3.3488 3.4923 3.5182 4.2635 4.3697 4.3782 4.4276 4.4411 4.4660 4.4787 4.5728 4.6224 4.6652 4.7350 4.7705 4.9692 5.0669 5.2733 5.3083 5.6617 5.6862 5.8772 5.8984 6.2461 6.2901 6.6884 6.6900 6.8102 6.8509 7.1646 7.1919 7.3281 7.3338 8.5873 8.6216 9.3856 9.3974 10.2559 10.2813 10.3504 10.3537 k = 0.0000 0.0000 0.2931 ( 6002 PWs) bands (ev): -8.0595 -8.0595 -6.7602 -6.7594 -6.7174 -6.7158 -6.6752 -6.6727 -1.5998 -1.5962 1.1506 1.1743 1.2075 1.2669 1.5431 1.6741 2.1342 2.2386 2.3221 2.3682 2.5450 2.5866 2.7340 2.7406 3.0104 3.0429 3.0776 3.0844 3.2846 3.3280 3.4809 3.5065 4.2637 4.3750 4.3797 4.4335 4.4482 4.4632 4.4782 4.5757 4.6433 4.6786 4.7479 4.7819 5.0214 5.1169 5.2446 5.2845 5.6365 5.6613 5.8681 5.8903 6.2547 6.3006 6.6951 6.6973 6.7833 6.8234 7.1299 7.1563 7.3226 7.3287 8.6308 8.6673 9.4562 9.4689 10.2292 10.2559 10.3520 10.3573 k = 0.0000 0.0000 0.3140 ( 6002 PWs) bands (ev): -8.0425 -8.0425 -6.7732 -6.7724 -6.7268 -6.7250 -6.6776 -6.6748 -1.5879 -1.5840 1.1080 1.1344 1.2002 1.2554 1.5378 1.6652 2.1587 2.2640 2.3575 2.4045 2.5700 2.6096 2.7009 2.7100 3.0097 3.0457 3.0780 3.0847 3.2676 3.3097 3.4696 3.4949 4.2644 4.3801 4.3814 4.4390 4.4546 4.4616 4.4784 4.5778 4.6659 4.6944 4.7615 4.7936 5.0752 5.1680 5.2153 5.2604 5.6109 5.6362 5.8588 5.8818 6.2643 6.3116 6.6970 6.7064 6.7633 6.7990 7.0961 7.1212 7.3174 7.3236 8.6694 8.7077 9.5265 9.5404 10.2006 10.2286 10.3550 10.3628 k = 0.0000 0.0000 0.3350 ( 6018 PWs) bands (ev): -8.0245 -8.0245 -6.7866 -6.7857 -6.7364 -6.7346 -6.6803 -6.6774 -1.5762 -1.5719 1.0660 1.0929 1.1938 1.2478 1.5295 1.6537 2.1827 2.2874 2.3935 2.4414 2.5907 2.6233 2.6772 2.6838 3.0087 3.0484 3.0785 3.0847 3.2540 3.2940 3.4587 3.4836 4.2654 4.3834 4.3845 4.4434 4.4550 4.4661 4.4799 4.5791 4.6894 4.7122 4.7764 4.8060 5.1298 5.1863 5.2193 5.2367 5.5843 5.6101 5.8493 5.8730 6.2747 6.3227 6.6928 6.7154 6.7528 6.7778 7.0636 7.0871 7.3124 7.3187 8.7033 8.7431 9.5957 9.6113 10.1704 10.1994 10.3595 10.3701 k = 0.0000 0.0000 0.3559 ( 6010 PWs) bands (ev): -8.0058 -8.0058 -6.8001 -6.7992 -6.7462 -6.7444 -6.6834 -6.6803 -1.5647 -1.5601 1.0249 1.0514 1.1883 1.2430 1.5182 1.6395 2.2050 2.3077 2.4295 2.4785 2.6007 2.6123 2.6703 2.6805 3.0075 3.0510 3.0789 3.0843 3.2438 3.2809 3.4481 3.4725 4.2669 4.3855 4.3880 4.4463 4.4524 4.4742 4.4834 4.5796 4.7126 4.7320 4.7943 4.8198 5.1564 5.1869 5.2128 5.2723 5.5564 5.5828 5.8398 5.8639 6.2859 6.3338 6.6831 6.7236 6.7515 6.7603 7.0332 7.0549 7.3075 7.3140 8.7326 8.7737 9.6632 9.6808 10.1384 10.1682 10.3651 10.3790 k = 0.0000 0.0000 0.3769 ( 6006 PWs) bands (ev): -7.9864 -7.9863 -6.8137 -6.8128 -6.7562 -6.7543 -6.6869 -6.6837 -1.5535 -1.5486 0.9847 1.0104 1.1837 1.2402 1.5037 1.6230 2.2231 2.3226 2.4640 2.5154 2.5923 2.5955 2.6766 2.6992 3.0060 3.0535 3.0794 3.0837 3.2366 3.2703 3.4379 3.4618 4.2689 4.3877 4.3902 4.4476 4.4492 4.4829 4.4889 4.5792 4.7338 4.7530 4.8166 4.8357 5.1297 5.1906 5.2422 5.3246 5.5266 5.5537 5.8301 5.8546 6.2978 6.3449 6.6718 6.7281 6.7495 6.7555 7.0053 7.0249 7.3029 7.3094 8.7576 8.7997 9.7284 9.7484 10.1047 10.1350 10.3717 10.3892 k = 0.0000 0.0000 0.3978 ( 6010 PWs) bands (ev): -7.9663 -7.9662 -6.8273 -6.8263 -6.7662 -6.7644 -6.6908 -6.6876 -1.5427 -1.5375 0.9456 0.9702 1.1795 1.2391 1.4866 1.6049 2.2342 2.3281 2.4945 2.5513 2.5824 2.5877 2.6938 2.7206 3.0041 3.0558 3.0799 3.0828 3.2322 3.2620 3.4281 3.4515 4.2711 4.3900 4.3908 4.4459 4.4480 4.4921 4.4960 4.5779 4.7520 4.7737 4.8444 4.8550 5.1040 5.1696 5.2979 5.3768 5.4949 5.5226 5.8205 5.8451 6.3102 6.3556 6.6620 6.7232 6.7509 6.7616 6.9802 6.9976 7.2987 7.3052 8.7785 8.8213 9.7903 9.8132 10.0693 10.0999 10.3790 10.4004 k = 0.0000 0.0000 0.4187 ( 6004 PWs) bands (ev): -7.9457 -7.9456 -6.8406 -6.8397 -6.7763 -6.7744 -6.6953 -6.6920 -1.5324 -1.5270 0.9078 0.9312 1.1755 1.2391 1.4678 1.5862 2.2350 2.3203 2.5186 2.5772 2.5914 2.5968 2.7139 2.7423 3.0019 3.0579 3.0804 3.0817 3.2303 3.2558 3.4188 3.4417 4.2738 4.3897 4.3924 4.4425 4.4484 4.5016 4.5042 4.5758 4.7671 4.7927 4.8776 4.8794 5.0799 5.1501 5.3530 5.4286 5.4616 5.4896 5.8111 5.8357 6.3230 6.3657 6.6551 6.7152 6.7582 6.7686 6.9583 6.9733 7.2948 7.3014 8.7954 8.8387 9.8484 9.8746 10.0320 10.0628 10.3869 10.4127 k = 0.0000 0.0000 0.4397 ( 6000 PWs) bands (ev): -7.9246 -7.9245 -6.8537 -6.8527 -6.7864 -6.7845 -6.7003 -6.6970 -1.5227 -1.5170 0.8713 0.8934 1.1711 1.2391 1.4485 1.5678 2.2244 2.2988 2.5398 2.5904 2.6163 2.6291 2.7346 2.7636 2.9995 3.0598 3.0806 3.0810 3.2305 3.2514 3.4099 3.4322 4.2769 4.3870 4.3949 4.4391 4.4492 4.5112 4.5131 4.5728 4.7801 4.8091 4.9093 4.9154 5.0574 5.1319 5.4037 5.4303 5.4541 5.4799 5.8021 5.8264 6.3360 6.3750 6.6517 6.7090 6.7665 6.7758 6.9397 6.9523 7.2915 7.2980 8.8084 8.8521 9.9011 9.9314 9.9933 10.0235 10.3956 10.4262 k = 0.0000 0.0000 0.4606 ( 6006 PWs) bands (ev): -7.9032 -7.9030 -6.8663 -6.8654 -6.7963 -6.7945 -6.7059 -6.7025 -1.5135 -1.5076 0.8361 0.8569 1.1656 1.2377 1.4307 1.5511 2.2034 2.2674 2.5632 2.6106 2.6483 2.6636 2.7549 2.7843 2.9970 3.0615 3.0796 3.0816 3.2323 3.2484 3.4015 3.4232 4.2803 4.3827 4.3974 4.4356 4.4504 4.5209 4.5225 4.5693 4.7916 4.8230 4.9445 4.9568 5.0365 5.1150 5.3868 5.4178 5.4639 5.5295 5.7937 5.8175 6.3488 6.3831 6.6523 6.7058 6.7749 6.7830 6.9244 6.9347 7.2887 7.2952 8.8175 8.8613 9.9394 9.9609 9.9775 9.9869 10.4059 10.4416 k = 0.0000 0.0000 0.4815 ( 6002 PWs) bands (ev): -7.8816 -7.8814 -6.8785 -6.8776 -6.8062 -6.8043 -6.7121 -6.7087 -1.5049 -1.4989 0.8024 0.8219 1.1583 1.2329 1.4170 1.5372 2.1747 2.2302 2.5890 2.6378 2.6823 2.6973 2.7746 2.8045 2.9948 3.0632 3.0788 3.0824 3.2355 3.2468 3.3935 3.4147 4.2841 4.3774 4.3999 4.4321 4.4522 4.5302 4.5323 4.5655 4.8022 4.8350 4.9840 5.0004 5.0175 5.0991 5.3503 5.3803 5.5146 5.5773 5.7863 5.8093 6.3611 6.3900 6.6569 6.7059 6.7830 6.7900 6.9127 6.9205 7.2865 7.2929 8.8226 8.8665 9.9058 9.9376 9.9907 10.0262 10.4192 10.4599 k = 0.0000 0.0000 0.5025 ( 6000 PWs) bands (ev): -7.8599 -7.8596 -6.8900 -6.8892 -6.8158 -6.8140 -6.7189 -6.7155 -1.4970 -1.4909 0.7701 0.7885 1.1487 1.2228 1.4097 1.5272 2.1411 2.1900 2.6154 2.6689 2.7165 2.7295 2.7939 2.8241 2.9935 3.0652 3.0784 3.0833 3.2398 3.2461 3.3861 3.4067 4.2881 4.3714 4.4023 4.4285 4.4544 4.5382 4.5423 4.5624 4.8120 4.8454 4.9971 5.0260 5.0486 5.0846 5.3135 5.3427 5.5630 5.6225 5.7809 5.8027 6.3726 6.3956 6.6655 6.7097 6.7909 6.7969 6.9042 6.9097 7.2850 7.2914 8.8237 8.8674 9.8608 9.8915 10.0206 10.0595 10.4371 10.4824 k = 0.0000 0.0000 0.5234 ( 5990 PWs) bands (ev): -7.8381 -7.8378 -6.9009 -6.9000 -6.8251 -6.8234 -6.7263 -6.7229 -1.4897 -1.4835 0.7395 0.7566 1.1362 1.2065 1.4101 1.5219 2.1047 2.1486 2.6410 2.7009 2.7498 2.7593 2.8129 2.8430 2.9940 3.0680 3.0782 3.0845 3.2449 3.2462 3.3792 3.3991 4.2923 4.3652 4.4046 4.4250 4.4569 4.5421 4.5527 4.5632 4.8213 4.8547 4.9783 5.0558 5.0846 5.0971 5.2780 5.3061 5.6067 5.6630 5.7790 5.7993 6.3829 6.3998 6.6780 6.7175 6.7987 6.8037 6.8989 6.9020 7.2843 7.2906 8.8204 8.8639 9.8132 9.8429 10.0406 10.0811 10.4612 10.5101 k = 0.0000 0.0000 0.5443 ( 5990 PWs) bands (ev): -7.8166 -7.8162 -6.9109 -6.9101 -6.8342 -6.8326 -6.7343 -6.7310 -1.4830 -1.4769 0.7105 0.7264 1.1208 1.1848 1.4175 1.5216 2.0673 2.1073 2.6643 2.7307 2.7816 2.7860 2.8323 2.8611 2.9977 3.0723 3.0783 3.0860 3.2469 3.2506 3.3728 3.3920 4.2967 4.3591 4.4067 4.4214 4.4596 4.5403 4.5632 4.5693 4.8300 4.8629 4.9586 5.0446 5.1261 5.1470 5.2450 5.2720 5.6425 5.6951 5.7834 5.8026 6.3918 6.4027 6.6940 6.7293 6.8063 6.8106 6.8964 6.8972 7.2842 7.2905 8.8126 8.8558 9.7632 9.7919 10.0500 10.0904 10.4918 10.5432 k = 0.0000 0.0000 0.5653 ( 6002 PWs) bands (ev): -7.7953 -7.7949 -6.9200 -6.9192 -6.8429 -6.8413 -6.7429 -6.7396 -1.4770 -1.4709 0.6832 0.6979 1.1029 1.1596 1.4305 1.5259 2.0300 2.0669 2.6841 2.7551 2.8086 2.8114 2.8529 2.8781 3.0059 3.0780 3.0797 3.0881 3.2480 3.2569 3.3669 3.3854 4.3012 4.3533 4.4086 4.4179 4.4624 4.5357 4.5738 4.5779 4.8382 4.8701 4.9375 5.0252 5.1740 5.1965 5.2170 5.2424 5.6665 5.7138 5.7979 5.8174 6.3990 6.4046 6.7131 6.7452 6.8142 6.8179 6.8949 6.8966 7.2848 7.2910 8.8000 8.8427 9.7111 9.7385 10.0492 10.0881 10.5278 10.5807 k = 0.0000 0.0000 0.5862 ( 6006 PWs) bands (ev): -7.7745 -7.7741 -6.9281 -6.9273 -6.8512 -6.8497 -6.7521 -6.7489 -1.4715 -1.4655 0.6576 0.6712 1.0830 1.1323 1.4475 1.5344 1.9938 2.0283 2.6996 2.7714 2.8274 2.8387 2.8750 2.8938 3.0194 3.0789 3.0889 3.0912 3.2494 3.2635 3.3615 3.3792 4.3057 4.3483 4.4100 4.4146 4.4655 4.5305 4.5844 4.5872 4.8456 4.8762 4.9146 5.0020 5.1898 5.2071 5.2341 5.2504 5.6780 5.7197 5.8228 5.8430 6.4045 6.4056 6.7348 6.7651 6.8227 6.8261 6.8950 6.8994 7.2860 7.2922 8.7822 8.8244 9.6571 9.6830 10.0398 10.0763 10.5666 10.6205 k = 0.0000 0.0000 0.6072 ( 6006 PWs) bands (ev): -7.7543 -7.7538 -6.9351 -6.9344 -6.8591 -6.8577 -6.7619 -6.7587 -1.4666 -1.4608 0.6338 0.6463 1.0620 1.1045 1.4671 1.5461 1.9596 1.9919 2.7103 2.7783 2.8438 2.8630 2.8976 2.9083 3.0371 3.0795 3.0967 3.1017 3.2509 3.2706 3.3567 3.3734 4.3099 4.3443 4.4097 4.4127 4.4688 4.5251 4.5949 4.5964 4.8518 4.8807 4.8904 4.9754 5.1703 5.1926 5.2795 5.3015 5.6811 5.7184 5.8540 5.8735 6.4059 6.4084 6.7582 6.7884 6.8322 6.8358 6.8972 6.9046 7.2877 7.2940 8.7592 8.8006 9.6013 9.6257 10.0236 10.0573 10.6054 10.6595 k = 0.0000 0.0000 0.6281 ( 6006 PWs) bands (ev): -7.7348 -7.7344 -6.9409 -6.9402 -6.8665 -6.8652 -6.7721 -6.7691 -1.4623 -1.4567 0.6118 0.6232 1.0404 1.0768 1.4881 1.5598 1.9282 1.9586 2.7162 2.7770 2.8584 2.8833 2.9195 2.9224 3.0546 3.0801 3.1075 3.1174 3.2525 3.2780 3.3523 3.3681 4.3136 4.3416 4.4069 4.4127 4.4724 4.5202 4.6052 4.6053 4.8517 4.8700 4.8829 4.9470 5.1558 5.1785 5.3294 5.3520 5.6800 5.7144 5.8868 5.9045 6.4057 6.4109 6.7820 6.8131 6.8441 6.8474 6.9018 6.9127 7.2899 7.2961 8.7308 8.7713 9.5443 9.5670 10.0027 10.0334 10.6414 10.6942 k = 0.0000 0.0000 0.6490 ( 6014 PWs) bands (ev): -7.7163 -7.7159 -6.9455 -6.9448 -6.8734 -6.8722 -6.7828 -6.7799 -1.4584 -1.4531 0.5917 0.6019 1.0190 1.0502 1.5094 1.5743 1.9005 1.9289 2.7174 2.7695 2.8714 2.8989 2.9371 2.9400 3.0670 3.0808 3.1265 3.1349 3.2541 3.2859 3.3485 3.3632 4.3165 4.3407 4.4037 4.4126 4.4761 4.5158 4.6134 4.6154 4.8307 4.8690 4.8787 4.9219 5.1457 5.1685 5.3785 5.4010 5.6773 5.7095 5.9186 5.9337 6.4052 6.4122 6.8045 6.8346 6.8615 6.8616 6.9095 6.9244 7.2923 7.2985 8.6973 8.7366 9.4867 9.5076 9.9791 10.0067 10.6726 10.7219 k = 0.0000 0.0000 0.6700 ( 6016 PWs) bands (ev): -7.6990 -7.6985 -6.9488 -6.9482 -6.8797 -6.8786 -6.7938 -6.7910 -1.4550 -1.4501 0.5734 0.5826 0.9984 1.0249 1.5300 1.5882 1.8774 1.9035 2.7143 2.7577 2.8828 2.9101 2.9527 2.9588 3.0739 3.0814 3.1523 3.1531 3.2558 3.2943 3.3451 3.3587 4.3185 4.3417 4.4006 4.4116 4.4802 4.5125 4.6208 4.6251 4.8039 4.8599 4.8733 4.9094 5.1396 5.1619 5.4255 5.4476 5.6745 5.7049 5.9478 5.9601 6.4044 6.4125 6.8242 6.8495 6.8774 6.8842 6.9234 6.9414 7.2950 7.3010 8.6590 8.6968 9.4291 9.4481 9.9546 9.9792 10.6983 10.7423 k = 0.0000 0.0000 0.6909 ( 6020 PWs) bands (ev): -7.6829 -7.6824 -6.9508 -6.9502 -6.8854 -6.8844 -6.8050 -6.8024 -1.4520 -1.4475 0.5570 0.5651 0.9791 1.0015 1.5486 1.5999 1.8600 1.8832 2.7078 2.7431 2.8929 2.9179 2.9684 2.9756 3.0778 3.0822 3.1707 3.1804 3.2576 3.3030 3.3422 3.3547 4.3200 4.3442 4.3975 4.4095 4.4846 4.5103 4.6271 4.6343 4.7777 4.8306 4.8778 4.9067 5.1364 5.1579 5.4693 5.4908 5.6726 5.7015 5.9735 5.9831 6.4036 6.4121 6.8408 6.8608 6.8935 6.9033 6.9483 6.9648 7.2977 7.3036 8.6168 8.6527 9.3726 9.3896 9.9306 9.9521 10.7190 10.7569 k = 0.0000 0.0000 0.7118 ( 6022 PWs) bands (ev): -7.6682 -7.6678 -6.9516 -6.9509 -6.8905 -6.8896 -6.8163 -6.8139 -1.4494 -1.4453 0.5426 0.5496 0.9614 0.9801 1.5643 1.6083 1.8490 1.8685 2.6986 2.7268 2.9017 2.9237 2.9831 2.9905 3.0804 3.0830 3.1868 3.2076 3.2600 3.3120 3.3398 3.3510 4.3216 4.3476 4.3945 4.4061 4.4893 4.5095 4.6319 4.6430 4.7536 4.7991 4.8818 4.9063 5.1356 5.1555 5.5086 5.5290 5.6730 5.7000 5.9952 6.0024 6.4028 6.4111 6.8547 6.8702 6.9086 6.9178 6.9821 6.9940 7.3003 7.3060 8.5718 8.6054 9.3181 9.3332 9.9082 9.9268 10.7357 10.7676 k = 0.0000 0.0000 0.7328 ( 6012 PWs) bands (ev): -7.6552 -7.6548 -6.9510 -6.9503 -6.8950 -6.8942 -6.8275 -6.8253 -1.4471 -1.4436 0.5301 0.5361 0.9456 0.9611 1.5764 1.6125 1.8443 1.8596 2.6878 2.7099 2.9093 2.9281 2.9963 3.0032 3.0824 3.0838 3.2009 3.2305 3.2649 3.3209 3.3379 3.3478 4.3238 4.3515 4.3916 4.4015 4.4943 4.5101 4.6350 4.6511 4.7327 4.7683 4.8855 4.9064 5.1364 5.1544 5.5419 5.5604 5.6772 5.7015 6.0128 6.0179 6.4021 6.4099 6.8665 6.8781 6.9232 6.9312 7.0192 7.0268 7.3029 7.3081 8.5259 8.5566 9.2671 9.2800 9.8883 9.9041 10.7493 10.7757 k = 0.0000 0.0000 0.7537 ( 6006 PWs) bands (ev): -7.6439 -7.6435 -6.9493 -6.9486 -6.8988 -6.8982 -6.8385 -6.8364 -1.4452 -1.4422 0.5195 0.5246 0.9321 0.9446 1.5846 1.6129 1.8452 1.8562 2.6764 2.6933 2.9159 2.9313 3.0078 3.0138 3.0840 3.0847 3.2127 3.2440 3.2763 3.3291 3.3365 3.3452 4.3268 4.3556 4.3888 4.3955 4.4996 4.5121 4.6358 4.6583 4.7160 4.7391 4.8888 4.9063 5.1382 5.1538 5.5678 5.5828 5.6866 5.7068 6.0264 6.0297 6.4015 6.4085 6.8760 6.8845 6.9376 6.9445 7.0563 7.0606 7.3052 7.3099 8.4810 8.5081 9.2207 9.2316 9.8714 9.8843 10.7605 10.7818 k = 0.0000 0.0000 0.7746 ( 5994 PWs) bands (ev): -7.6345 -7.6341 -6.9467 -6.9460 -6.9020 -6.9014 -6.8487 -6.8470 -1.4436 -1.4411 0.5110 0.5150 0.9210 0.9307 1.5894 1.6105 1.8498 1.8569 2.6653 2.6778 2.9214 2.9336 3.0173 3.0222 3.0854 3.0855 3.2224 3.2486 3.2932 3.3354 3.3355 3.3435 4.3307 4.3596 4.3860 4.3885 4.5050 4.5151 4.6346 4.6647 4.7039 4.7126 4.8918 4.9059 5.1407 5.1535 5.5858 5.5962 5.7008 5.7156 6.0362 6.0383 6.4012 6.4071 6.8835 6.8895 6.9515 6.9573 7.0911 7.0932 7.3072 7.3112 8.4394 8.4624 9.1804 9.1891 9.8577 9.8679 10.7699 10.7865 k = 0.0000 0.0000 0.7956 ( 5994 PWs) bands (ev): -7.6270 -7.6267 -6.9434 -6.9428 -6.9044 -6.9040 -6.8579 -6.8565 -1.4423 -1.4404 0.5044 0.5074 0.9124 0.9196 1.5920 1.6067 1.8559 1.8601 2.6556 2.6645 2.9260 2.9350 3.0249 3.0286 3.0863 3.0864 3.2301 3.2496 3.3096 3.3350 3.3377 3.3444 4.3357 4.3635 4.3806 4.3832 4.5104 4.5184 4.6323 4.6698 4.6893 4.6959 4.8945 4.9051 5.1433 5.1532 5.5968 5.6031 5.7167 5.7264 6.0428 6.0439 6.4011 6.4056 6.8891 6.8931 6.9640 6.9686 7.1213 7.1219 7.3088 7.3121 8.4039 8.4220 9.1475 9.1541 9.8473 9.8549 10.7775 10.7898 k = 0.0000 0.0000 0.8165 ( 5984 PWs) bands (ev): -7.6216 -7.6214 -6.9401 -6.9396 -6.9061 -6.9059 -6.8655 -6.8644 -1.4413 -1.4400 0.4999 0.5019 0.9066 0.9113 1.5934 1.6027 1.8618 1.8639 2.6483 2.6539 2.9296 2.9356 3.0304 3.0329 3.0870 3.0872 3.2363 3.2490 3.3233 3.3352 3.3369 3.3462 4.3416 4.3672 4.3724 4.3803 4.5153 4.5213 4.6311 4.6659 4.6777 4.6908 4.8969 4.9040 5.1460 5.1527 5.6029 5.6062 5.7306 5.7363 6.0468 6.0474 6.4012 6.4044 6.8932 6.8956 6.9742 6.9773 7.1448 7.1449 7.3102 7.3125 8.3771 8.3896 9.1234 9.1278 9.8402 9.8453 10.7835 10.7916 k = 0.0000 0.0000 0.8375 ( 5984 PWs) bands (ev): -7.6183 -7.6182 -6.9374 -6.9371 -6.9071 -6.9070 -6.8704 -6.8699 -1.4406 -1.4399 0.4974 0.4984 0.9035 0.9058 1.5946 1.5991 1.8659 1.8668 2.6440 2.6468 2.9324 2.9354 3.0339 3.0352 3.0875 3.0876 3.2411 3.2473 3.3320 3.3356 3.3373 3.3459 4.3485 4.3641 4.3708 4.3773 4.5194 4.5226 4.6330 4.6509 4.6806 4.6871 4.8991 4.9026 5.1483 5.1517 5.6059 5.6074 5.7403 5.7429 6.0489 6.0491 6.4017 6.4032 6.8957 6.8969 6.9810 6.9827 7.1596 7.1598 7.3113 7.3124 8.3612 8.3676 9.1089 9.1111 9.8366 9.8391 10.7879 10.7919 k = 0.0000 0.0000 0.8584 ( 5972 PWs) bands (ev): -7.6172 -7.6172 -6.9363 -6.9363 -6.9074 -6.9074 -6.8720 -6.8720 -1.4401 -1.4401 0.4969 0.4969 0.9032 0.9032 1.5964 1.5964 1.8677 1.8677 2.6435 2.6435 2.9343 2.9343 3.0355 3.0355 3.0878 3.0878 3.2447 3.2447 3.3344 3.3344 3.3426 3.3426 4.3561 4.3561 4.3741 4.3741 4.5220 4.5220 4.6396 4.6396 4.6839 4.6839 4.9010 4.9010 5.1502 5.1502 5.6073 5.6073 5.7445 5.7445 6.0496 6.0496 6.4023 6.4023 6.8969 6.8969 6.9840 6.9840 7.1649 7.1649 7.3121 7.3121 8.3579 8.3579 9.1048 9.1048 9.8362 9.8362 10.7907 10.7907 k = 0.0000 0.0000 0.8584 ( 5972 PWs) bands (ev): -7.6172 -7.6172 -6.9363 -6.9363 -6.9074 -6.9074 -6.8720 -6.8720 -1.4401 -1.4401 0.4969 0.4969 0.9032 0.9032 1.5964 1.5964 1.8677 1.8677 2.6435 2.6435 2.9343 2.9343 3.0355 3.0355 3.0878 3.0878 3.2447 3.2447 3.3344 3.3344 3.3426 3.3426 4.3561 4.3561 4.3741 4.3741 4.5220 4.5220 4.6396 4.6396 4.6839 4.6839 4.9010 4.9010 5.1502 5.1502 5.6073 5.6073 5.7445 5.7445 6.0496 6.0496 6.4023 6.4023 6.8969 6.8969 6.9840 6.9840 7.1649 7.1649 7.3121 7.3121 8.3579 8.3579 9.1048 9.1048 9.8362 9.8362 10.7907 10.7907 k =-0.0117 0.0163 0.8584 ( 5982 PWs) bands (ev): -7.6173 -7.6173 -6.9360 -6.9359 -6.9082 -6.9081 -6.8719 -6.8717 -1.4395 -1.4394 0.4982 0.4983 0.9038 0.9047 1.5958 1.5970 1.8654 1.8700 2.6406 2.6466 2.9294 2.9388 3.0349 3.0353 3.0863 3.0891 3.2391 3.2436 3.3293 3.3351 3.3438 3.3490 4.3527 4.3577 4.3671 4.3820 4.5212 4.5222 4.6359 4.6421 4.6797 4.6879 4.8946 4.9095 5.1495 5.1499 5.6046 5.6078 5.7420 5.7438 6.0487 6.0487 6.4040 6.4041 6.8957 6.8971 6.9820 6.9821 7.1645 7.1656 7.3091 7.3102 8.3594 8.3600 9.1062 9.1062 9.8400 9.8422 10.7894 10.7916 k =-0.0233 0.0326 0.8584 ( 5980 PWs) bands (ev): -7.6176 -7.6176 -6.9350 -6.9348 -6.9103 -6.9103 -6.8712 -6.8709 -1.4376 -1.4373 0.5022 0.5024 0.9065 0.9083 1.5950 1.5974 1.8634 1.8725 2.6382 2.6501 2.9239 2.9428 3.0337 3.0346 3.0850 3.0904 3.2274 3.2361 3.3257 3.3327 3.3508 3.3572 4.3466 4.3585 4.3621 4.3897 4.5197 4.5219 4.6314 4.6430 4.6757 4.6914 4.8906 4.9200 5.1478 5.1486 5.5998 5.6064 5.7364 5.7399 6.0462 6.0463 6.4090 6.4092 6.8935 6.8964 6.9764 6.9765 7.1648 7.1667 7.3016 7.3038 8.3646 8.3656 9.1105 9.1106 9.8535 9.8580 10.7877 10.7918 k =-0.0350 0.0489 0.8584 ( 5976 PWs) bands (ev): -7.6181 -7.6181 -6.9333 -6.9330 -6.9137 -6.9136 -6.8702 -6.8697 -1.4343 -1.4339 0.5090 0.5092 0.9113 0.9140 1.5941 1.5977 1.8614 1.8751 2.6361 2.6539 2.9178 2.9463 3.0318 3.0333 3.0837 3.0917 3.2107 3.2232 3.3240 3.3320 3.3579 3.3656 4.3383 4.3588 4.3590 4.3970 4.5174 4.5211 4.6262 4.6417 4.6726 4.6943 4.8890 4.9321 5.1451 5.1462 5.5929 5.6028 5.7280 5.7332 6.0423 6.0424 6.4171 6.4173 6.8900 6.8950 6.9672 6.9676 7.1653 7.1681 7.2896 7.2932 8.3734 8.3748 9.1179 9.1179 9.8758 9.8828 10.7852 10.7911 k =-0.0467 0.0651 0.8584 ( 5968 PWs) bands (ev): -7.6189 -7.6189 -6.9310 -6.9305 -6.9182 -6.9181 -6.8689 -6.8684 -1.4298 -1.4293 0.5184 0.5187 0.9182 0.9218 1.5930 1.5978 1.8597 1.8779 2.6343 2.6579 2.9110 2.9491 3.0293 3.0314 3.0825 3.0928 3.1904 3.2062 3.3241 3.3328 3.3643 3.3735 4.3291 4.3566 4.3586 4.4036 4.5145 4.5199 4.6206 4.6379 4.6707 4.6965 4.8900 4.9457 5.1414 5.1428 5.5837 5.5972 5.7171 5.7240 6.0371 6.0373 6.4276 6.4279 6.8851 6.8929 6.9547 6.9561 7.1661 7.1694 7.2738 7.2788 8.3859 8.3873 9.1282 9.1284 9.9057 9.9154 10.7815 10.7890 k =-0.0584 0.0814 0.8584 ( 5964 PWs) bands (ev): -7.6199 -7.6199 -6.9279 -6.9273 -6.9236 -6.9235 -6.8675 -6.8669 -1.4241 -1.4235 0.5304 0.5308 0.9271 0.9318 1.5918 1.5976 1.8582 1.8808 2.6328 2.6621 2.9032 2.9509 3.0261 3.0291 3.0813 3.0936 3.1676 3.1862 3.3255 3.3348 3.3697 3.3804 4.3198 4.3543 4.3579 4.4095 4.5108 4.5183 4.6146 4.6319 4.6698 4.6979 4.8936 4.9604 5.1369 5.1384 5.5721 5.5893 5.7041 5.7127 6.0308 6.0312 6.4398 6.4401 6.8785 6.8902 6.9394 6.9424 7.1669 7.1706 7.2545 7.2612 8.4020 8.4032 9.1414 9.1420 9.9414 9.9542 10.7761 10.7848 k =-0.0700 0.0977 0.8584 ( 5968 PWs) bands (ev): -7.6212 -7.6212 -6.9299 -6.9299 -6.9242 -6.9234 -6.8659 -6.8653 -1.4174 -1.4167 0.5450 0.5454 0.9382 0.9439 1.5902 1.5971 1.8569 1.8838 2.6317 2.6665 2.8941 2.9512 3.0224 3.0265 3.0802 3.0933 3.1440 3.1643 3.3280 3.3375 3.3740 3.3862 4.3108 4.3519 4.3568 4.4147 4.5064 4.5165 4.6084 4.6242 4.6694 4.6985 4.8995 4.9761 5.1315 5.1331 5.5582 5.5792 5.6895 5.6998 6.0239 6.0245 6.4531 6.4532 6.8698 6.8865 6.9221 6.9275 7.1676 7.1714 7.2326 7.2414 8.4216 8.4224 9.1574 9.1585 9.9811 9.9973 10.7682 10.7778 k =-0.0817 0.1140 0.8584 ( 5968 PWs) bands (ev): -7.6228 -7.6227 -6.9370 -6.9369 -6.9198 -6.9190 -6.8642 -6.8636 -1.4097 -1.4089 0.5621 0.5625 0.9513 0.9582 1.5881 1.5960 1.8560 1.8870 2.6308 2.6709 2.8835 2.9495 3.0183 3.0237 3.0790 3.0896 3.1233 3.1416 3.3312 3.3407 3.3775 3.3909 4.3024 4.3493 4.3552 4.4195 4.5016 4.5144 4.6020 4.6152 4.6692 4.6983 4.9077 4.9925 5.1253 5.1268 5.5417 5.5668 5.6737 5.6857 6.0167 6.0174 6.4667 6.4668 6.8583 6.8810 6.9042 6.9123 7.1679 7.1716 7.2089 7.2202 8.4447 8.4447 9.1761 9.1779 10.0229 10.0425 10.7572 10.7673 k =-0.0934 0.1303 0.8584 ( 5972 PWs) bands (ev): -7.6247 -7.6246 -6.9448 -6.9446 -6.9148 -6.9139 -6.8623 -6.8617 -1.4011 -1.4004 0.5815 0.5819 0.9665 0.9746 1.5856 1.5942 1.8554 1.8905 2.6302 2.6753 2.8708 2.9441 3.0139 3.0206 3.0775 3.0777 3.1122 3.1191 3.3352 3.3442 3.3803 3.3943 4.2949 4.3464 4.3532 4.4237 4.4963 4.5120 4.5955 4.6054 4.6690 4.6976 4.9178 5.0095 5.1184 5.1196 5.5228 5.5522 5.6572 5.6709 6.0095 6.0104 6.4797 6.4800 6.8436 6.8692 6.8904 6.8976 7.1669 7.1706 7.1848 7.1990 8.4702 8.4711 9.1970 9.1995 10.0645 10.0878 10.7422 10.7525 k =-0.1050 0.1466 0.8584 ( 5974 PWs) bands (ev): -7.6270 -7.6269 -6.9532 -6.9530 -6.9092 -6.9082 -6.8603 -6.8596 -1.3920 -1.3913 0.6033 0.6037 0.9838 0.9932 1.5824 1.5916 1.8553 1.8941 2.6298 2.6793 2.8556 2.9332 3.0092 3.0170 3.0606 3.0756 3.0986 3.1097 3.3396 3.3475 3.3828 3.3968 4.2883 4.3432 4.3506 4.4277 4.4907 4.5093 4.5891 4.5951 4.6686 4.6962 4.9296 5.0269 5.1108 5.1118 5.5015 5.5354 5.6402 5.6556 6.0025 6.0035 6.4917 6.4924 6.8255 6.8492 6.8830 6.8837 7.1553 7.1656 7.1708 7.1815 8.4987 8.5008 9.2197 9.2229 10.1039 10.1308 10.7225 10.7328 k =-0.1167 0.1629 0.8584 ( 5974 PWs) bands (ev): -7.6297 -7.6295 -6.9623 -6.9619 -6.9030 -6.9019 -6.8580 -6.8573 -1.3823 -1.3817 0.6272 0.6276 1.0032 1.0139 1.5785 1.5880 1.8558 1.8979 2.6295 2.6828 2.8374 2.9150 3.0044 3.0131 3.0470 3.0689 3.0845 3.1100 3.3445 3.3505 3.3856 3.3984 4.2828 4.3397 4.3477 4.4315 4.4849 4.5063 4.5826 4.5844 4.6681 4.6945 4.9427 5.0442 5.1029 5.1035 5.4780 5.5165 5.6231 5.6401 5.9960 5.9972 6.5023 6.5032 6.8047 6.8255 6.8703 6.8772 7.1320 7.1504 7.1687 7.1745 8.5299 8.5335 9.2434 9.2475 10.1396 10.1698 10.6974 10.7076 k =-0.1284 0.1791 0.8584 ( 5978 PWs) bands (ev): -7.6327 -7.6325 -6.9718 -6.9714 -6.8962 -6.8950 -6.8553 -6.8547 -1.3724 -1.3719 0.6532 0.6535 1.0246 1.0368 1.5737 1.5833 1.8569 1.9021 2.6292 2.6851 2.8165 2.8892 2.9996 3.0087 3.0390 3.0552 3.0804 3.1113 3.3495 3.3526 3.3890 3.3996 4.2785 4.3359 4.3443 4.4352 4.4790 4.5027 4.5738 4.5763 4.6673 4.6923 4.9566 5.0603 5.0947 5.0961 5.4524 5.4957 5.6061 5.6248 5.9901 5.9914 6.5110 6.5120 6.7818 6.8003 6.8567 6.8707 7.1093 7.1323 7.1670 7.1714 8.5639 8.5690 9.2674 9.2723 10.1701 10.2032 10.6665 10.6764 k =-0.1284 0.1791 0.8584 ( 5978 PWs) bands (ev): -7.6327 -7.6325 -6.9718 -6.9714 -6.8962 -6.8950 -6.8553 -6.8547 -1.3724 -1.3719 0.6532 0.6535 1.0246 1.0368 1.5737 1.5833 1.8569 1.9021 2.6292 2.6851 2.8165 2.8892 2.9996 3.0087 3.0390 3.0552 3.0804 3.1113 3.3495 3.3526 3.3890 3.3996 4.2785 4.3359 4.3443 4.4352 4.4790 4.5027 4.5738 4.5763 4.6673 4.6923 4.9566 5.0603 5.0947 5.0961 5.4524 5.4957 5.6061 5.6248 5.9901 5.9914 6.5110 6.5120 6.7818 6.8003 6.8567 6.8707 7.1093 7.1323 7.1670 7.1714 8.5639 8.5690 9.2674 9.2723 10.1701 10.2032 10.6665 10.6764 k =-0.1368 0.1909 0.8439 ( 5981 PWs) bands (ev): -7.6355 -7.6353 -6.9789 -6.9785 -6.8929 -6.8916 -6.8513 -6.8503 -1.3653 -1.3646 0.6734 0.6741 1.0420 1.0554 1.5701 1.5798 1.8571 1.9041 2.6297 2.6862 2.7998 2.8665 2.9957 3.0047 3.0359 3.0452 3.0795 3.1125 3.3498 3.3562 3.3916 3.4001 4.2761 4.3323 4.3422 4.4378 4.4745 4.4999 4.5664 4.5714 4.6665 4.6926 4.9667 5.0676 5.0880 5.0954 5.4328 5.4798 5.5934 5.6131 5.9847 5.9875 6.5148 6.5181 6.7629 6.7802 6.8467 6.8655 7.0944 7.1197 7.1648 7.1681 8.5920 8.5993 9.2858 9.2913 10.1894 10.2240 10.6382 10.6489 k =-0.1453 0.2027 0.8294 ( 5988 PWs) bands (ev): -7.6391 -7.6388 -6.9859 -6.9854 -6.8930 -6.8915 -6.8432 -6.8417 -1.3583 -1.3573 0.6952 0.6966 1.0619 1.0764 1.5669 1.5768 1.8556 1.9041 2.6311 2.6865 2.7823 2.8411 2.9910 2.9992 3.0340 3.0365 3.0790 3.1139 3.3478 3.3604 3.3937 3.4005 4.2743 4.3279 4.3405 4.4402 4.4695 4.4972 4.5598 4.5659 4.6654 4.6969 4.9758 5.0671 5.0817 5.1022 5.4128 5.4633 5.5796 5.6001 5.9772 5.9824 6.5166 6.5232 6.7408 6.7574 6.8365 6.8596 7.0818 7.1084 7.1603 7.1622 8.6254 8.6358 9.3059 9.3119 10.2070 10.2421 10.6028 10.6154 k =-0.1537 0.2145 0.8149 ( 5985 PWs) bands (ev): -7.6433 -7.6430 -6.9928 -6.9922 -6.8951 -6.8936 -6.8322 -6.8304 -1.3516 -1.3501 0.7186 0.7207 1.0842 1.0999 1.5644 1.5745 1.8524 1.9020 2.6330 2.6840 2.7662 2.8139 2.9857 2.9927 3.0290 3.0328 3.0785 3.1154 3.3450 3.3640 3.3954 3.4009 4.2731 4.3235 4.3386 4.4425 4.4641 4.4945 4.5538 4.5600 4.6645 4.7046 4.9834 5.0619 5.0766 5.1132 5.3924 5.4464 5.5652 5.5863 5.9679 5.9758 6.5168 6.5270 6.7164 6.7327 6.8257 6.8520 7.0726 7.0993 7.1533 7.1547 8.6638 8.6774 9.3266 9.3331 10.2219 10.2564 10.5626 10.5769 k =-0.1622 0.2263 0.8004 ( 5992 PWs) bands (ev): -7.6481 -7.6478 -6.9994 -6.9988 -6.8983 -6.8968 -6.8197 -6.8175 -1.3450 -1.3430 0.7434 0.7463 1.1089 1.1258 1.5625 1.5729 1.8475 1.8977 2.6341 2.6754 2.7543 2.7859 2.9797 2.9855 3.0222 3.0319 3.0779 3.1172 3.3419 3.3671 3.3964 3.4013 4.2727 4.3192 4.3361 4.4444 4.4583 4.4919 4.5484 4.5541 4.6648 4.7148 4.9887 5.0552 5.0735 5.1251 5.3718 5.4292 5.5504 5.5718 5.9569 5.9677 6.5153 6.5294 6.6905 6.7064 6.8142 6.8422 7.0671 7.0928 7.1433 7.1470 8.7061 8.7228 9.3469 9.3539 10.2325 10.2646 10.5212 10.5371 k =-0.1706 0.2381 0.7859 ( 5994 PWs) bands (ev): -7.6533 -7.6529 -7.0059 -7.0052 -6.9019 -6.9004 -6.8062 -6.8039 -1.3386 -1.3361 0.7696 0.7731 1.1360 1.1540 1.5612 1.5719 1.8410 1.8915 2.6323 2.6591 2.7484 2.7595 2.9731 2.9783 3.0154 3.0311 3.0771 3.1195 3.3385 3.3697 3.3969 3.4018 4.2730 4.3149 4.3331 4.4458 4.4521 4.4893 4.5433 4.5486 4.6666 4.7269 4.9914 5.0481 5.0730 5.1367 5.3512 5.4118 5.5354 5.5570 5.9443 5.9580 6.5122 6.5303 6.6634 6.6791 6.8019 6.8306 7.0649 7.0888 7.1320 7.1392 8.7513 8.7711 9.3658 9.3733 10.2353 10.2630 10.4835 10.5024 k =-0.1791 0.2499 0.7714 ( 5993 PWs) bands (ev): -7.6587 -7.6584 -7.0122 -7.0114 -6.9058 -6.9043 -6.7923 -6.7898 -1.3325 -1.3295 0.7969 0.8011 1.1653 1.1844 1.5606 1.5715 1.8329 1.8836 2.6215 2.6393 2.7341 2.7502 2.9659 2.9709 3.0083 3.0304 3.0760 3.1222 3.3352 3.3721 3.3970 3.4025 4.2740 4.3107 4.3298 4.4432 4.4488 4.4867 4.5385 4.5438 4.6704 4.7404 4.9914 5.0412 5.0750 5.1474 5.3310 5.3944 5.5206 5.5421 5.9303 5.9469 6.5078 6.5298 6.6359 6.6514 6.7891 6.8173 7.0644 7.0872 7.1201 7.1326 8.7982 8.8209 9.3826 9.3906 10.2251 10.2475 10.4560 10.4802 k =-0.1875 0.2617 0.7569 ( 6001 PWs) bands (ev): -7.6644 -7.6640 -7.0182 -7.0173 -6.9097 -6.9083 -6.7783 -6.7757 -1.3267 -1.3232 0.8252 0.8302 1.1967 1.2169 1.5607 1.5717 1.8235 1.8740 2.5962 2.6202 2.7182 2.7525 2.9584 2.9630 3.0006 3.0295 3.0749 3.1257 3.3320 3.3742 3.3969 3.4034 4.2757 4.3065 4.3262 4.4357 4.4497 4.4840 4.5338 4.5399 4.6760 4.7550 4.9897 5.0347 5.0788 5.1565 5.3114 5.3770 5.5061 5.5271 5.9150 5.9347 6.5021 6.5279 6.6082 6.6238 6.7761 6.8030 7.0619 7.0883 7.1088 7.1292 8.8455 8.8709 9.3969 9.4053 10.1986 10.2169 10.4439 10.4735 k =-0.1959 0.2734 0.7424 ( 5991 PWs) bands (ev): -7.6701 -7.6697 -7.0239 -7.0230 -6.9135 -6.9121 -6.7644 -6.7616 -1.3211 -1.3171 0.8543 0.8600 1.2302 1.2514 1.5615 1.5724 1.8128 1.8633 2.5635 2.5950 2.7105 2.7561 2.9504 2.9546 2.9925 3.0285 3.0737 3.1298 3.3291 3.3761 3.3969 3.4044 4.2783 4.3022 4.3225 4.4272 4.4508 4.4812 4.5296 4.5367 4.6834 4.7703 4.9873 5.0293 5.0832 5.1633 5.2931 5.3599 5.4920 5.5124 5.8988 5.9216 6.4953 6.5248 6.5810 6.5968 6.7634 6.7883 7.0548 7.0876 7.1034 7.1303 8.8920 8.9199 9.4083 9.4174 10.1595 10.1749 10.4467 10.4792 k =-0.2044 0.2852 0.7279 ( 5997 PWs) bands (ev): -7.6758 -7.6754 -7.0294 -7.0284 -6.9172 -6.9159 -6.7508 -6.7479 -1.3159 -1.3114 0.8839 0.8903 1.2655 1.2875 1.5629 1.5736 1.8011 1.8515 2.5271 2.5631 2.7085 2.7600 2.9416 2.9457 2.9840 3.0271 3.0729 3.1345 3.3267 3.3776 3.3972 3.4056 4.2815 4.2976 4.3187 4.4183 4.4520 4.4781 4.5260 4.5341 4.6921 4.7860 4.9849 5.0251 5.0874 5.1667 5.2770 5.3432 5.4784 5.4979 5.8820 5.9078 6.4876 6.5203 6.5546 6.5707 6.7512 6.7738 7.0439 7.0776 7.1106 7.1355 8.9361 8.9662 9.4170 9.4269 10.1141 10.1268 10.4601 10.4931 k =-0.2128 0.2970 0.7134 ( 5993 PWs) bands (ev): -7.6815 -7.6810 -7.0345 -7.0334 -6.9208 -6.9195 -6.7376 -6.7346 -1.3110 -1.3060 0.9139 0.9211 1.3023 1.3252 1.5653 1.5752 1.7886 1.8391 2.4883 2.5270 2.7093 2.7636 2.9312 2.9367 2.9758 3.0254 3.0725 3.1397 3.3248 3.3788 3.3980 3.4069 4.2853 4.2928 4.3150 4.4093 4.4531 4.4749 4.5232 4.5321 4.7019 4.8017 4.9834 5.0228 5.0907 5.1655 5.2642 5.3272 5.4655 5.4838 5.8650 5.8937 6.4791 6.5139 6.5301 6.5463 6.7399 6.7597 7.0308 7.0649 7.1226 7.1439 8.9765 9.0082 9.4236 9.4345 10.0673 10.0772 10.4806 10.5125 k =-0.2213 0.3088 0.6989 ( 5992 PWs) bands (ev): -7.6869 -7.6864 -7.0393 -7.0382 -6.9241 -6.9229 -6.7250 -6.7218 -1.3065 -1.3010 0.9440 0.9520 1.3401 1.3639 1.5687 1.5771 1.7753 1.8264 2.4475 2.4882 2.7112 2.7668 2.9192 2.9274 2.9682 3.0233 3.0726 3.1453 3.3235 3.3794 3.3994 3.4085 4.2876 4.2898 4.3113 4.4006 4.4542 4.4717 4.5209 4.5304 4.7122 4.8170 4.9830 5.0225 5.0924 5.1588 5.2556 5.3120 5.4533 5.4702 5.8482 5.8798 6.4699 6.5012 6.5109 6.5248 6.7297 6.7466 7.0168 7.0517 7.1364 7.1543 9.0114 9.0441 9.4291 9.4412 10.0221 10.0288 10.5061 10.5360 k =-0.2297 0.3206 0.6844 ( 5972 PWs) bands (ev): -7.6921 -7.6916 -7.0437 -7.0426 -6.9273 -6.9261 -6.7130 -6.7098 -1.3023 -1.2964 0.9738 0.9827 1.3783 1.4035 1.5737 1.5793 1.7616 1.8138 2.4050 2.4473 2.7135 2.7694 2.9059 2.9175 2.9615 3.0209 3.0734 3.1512 3.3228 3.3795 3.4014 3.4102 4.2825 4.2945 4.3078 4.3924 4.4551 4.4686 4.5193 4.5291 4.7228 4.8316 4.9841 5.0246 5.0923 5.1474 5.2505 5.2980 5.4419 5.4573 5.8322 5.8664 6.4600 6.4810 6.4949 6.5107 6.7207 6.7345 7.0025 7.0385 7.1511 7.1660 9.0395 9.0721 9.4348 9.4480 9.9802 9.9836 10.5357 10.5632 k =-0.2382 0.3324 0.6699 ( 5978 PWs) bands (ev): -7.6970 -7.6965 -7.0478 -7.0466 -6.9302 -6.9291 -6.7019 -6.6986 -1.2985 -1.2922 1.0031 1.0129 1.4154 1.4433 1.5806 1.5823 1.7477 1.8021 2.3610 2.4048 2.7159 2.7716 2.8915 2.9068 2.9558 3.0182 3.0747 3.1570 3.3225 3.3793 3.4039 3.4121 4.2772 4.2987 4.3051 4.3850 4.4552 4.4662 4.5183 4.5280 4.7333 4.8453 4.9866 5.0288 5.0905 5.1328 5.2472 5.2851 5.4312 5.4449 5.8171 5.8537 6.4489 6.4618 6.4766 6.5022 6.7129 6.7237 6.9885 7.0256 7.1660 7.1783 9.0597 9.0911 9.4419 9.4562 9.9423 9.9425 10.5690 10.5939 k =-0.2466 0.3442 0.6554 ( 5976 PWs) bands (ev): -7.7015 -7.7010 -7.0515 -7.0503 -6.9328 -6.9318 -6.6917 -6.6883 -1.2951 -1.2884 1.0315 1.0423 1.4489 1.4831 1.5837 1.5934 1.7342 1.7918 2.3159 2.3610 2.7184 2.7735 2.8764 2.8954 2.9513 3.0156 3.0763 3.1626 3.3227 3.3787 3.4067 3.4141 4.2721 4.2982 4.3074 4.3786 4.4538 4.4652 4.5177 4.5271 4.7436 4.8579 4.9903 5.0340 5.0878 5.1174 5.2442 5.2735 5.4214 5.4334 5.8035 5.8422 6.4358 6.4455 6.4598 6.4950 6.7063 6.7142 6.9750 7.0131 7.1808 7.1910 9.0715 9.1006 9.4513 9.4665 9.9061 9.9088 10.6055 10.6279 k =-0.2551 0.3559 0.6409 ( 5982 PWs) bands (ev): -7.7055 -7.7050 -7.0548 -7.0535 -6.9352 -6.9342 -6.6825 -6.6790 -1.2921 -1.2851 1.0586 1.0705 1.4756 1.5224 1.5862 1.6109 1.7219 1.7840 2.2698 2.3160 2.7211 2.7753 2.8611 2.8835 2.9476 3.0130 3.0781 3.1679 3.3233 3.3779 3.4096 3.4161 4.2672 4.2947 4.3126 4.3734 4.4509 4.4656 4.5174 4.5264 4.7535 4.8695 4.9944 5.0377 5.0864 5.1033 5.2405 5.2629 5.4123 5.4226 5.7914 5.8319 6.4212 6.4314 6.4460 6.4883 6.7008 6.7062 6.9624 7.0014 7.1950 7.2034 9.0758 9.1018 9.4629 9.4790 9.8744 9.8797 10.6448 10.6648 k =-0.2635 0.3677 0.6264 ( 5991 PWs) bands (ev): -7.7092 -7.7087 -7.0577 -7.0564 -6.9373 -6.9363 -6.6744 -6.6708 -1.2895 -1.2822 1.0838 1.0969 1.4940 1.5590 1.5894 1.6334 1.7131 1.7807 2.2231 2.2702 2.7240 2.7771 2.8458 2.8716 2.9446 3.0107 3.0800 3.1727 3.3241 3.3771 3.4126 3.4181 4.2627 4.2909 4.3181 4.3693 4.4473 4.4667 4.5174 4.5257 4.7631 4.8804 4.9977 5.0355 5.0891 5.0937 5.2354 5.2529 5.4042 5.4128 5.7812 5.8230 6.4074 6.4178 6.4354 6.4821 6.6963 6.6997 6.9510 6.9905 7.2082 7.2151 9.0738 9.0966 9.4761 9.4930 9.8473 9.8547 10.6863 10.7041 k =-0.2720 0.3795 0.6119 ( 5995 PWs) bands (ev): -7.7123 -7.7118 -7.0601 -7.0588 -6.9391 -6.9381 -6.6674 -6.6638 -1.2873 -1.2797 1.1068 1.1211 1.5050 1.5832 1.5994 1.6544 1.7137 1.7845 2.1761 2.2237 2.7275 2.7790 2.8311 2.8598 2.9424 3.0086 3.0818 3.1769 3.3250 3.3762 3.4153 3.4199 4.2587 4.2872 4.3232 4.3665 4.4435 4.4680 4.5176 4.5252 4.7721 4.8908 4.9985 5.0265 5.0879 5.1000 5.2286 5.2433 5.3969 5.4042 5.7728 5.8157 6.3953 6.4052 6.4271 6.4764 6.6926 6.6947 6.9408 6.9808 7.2201 7.2260 9.0676 9.0875 9.4896 9.5075 9.8247 9.8336 10.7289 10.7449 k =-0.2804 0.3913 0.5974 ( 5996 PWs) bands (ev): -7.7149 -7.7144 -7.0621 -7.0608 -6.9405 -6.9396 -6.6616 -6.6579 -1.2854 -1.2777 1.1269 1.1423 1.5110 1.5882 1.6175 1.6655 1.7322 1.7985 2.1295 2.1770 2.7316 2.7809 2.8175 2.8486 2.9406 3.0068 3.0834 3.1804 3.3260 3.3754 3.4178 3.4216 4.2553 4.2838 4.3278 4.3649 4.4397 4.4692 4.5179 4.5247 4.7805 4.9012 4.9956 5.0136 5.0897 5.1132 5.2204 5.2335 5.3907 5.3969 5.7662 5.8099 6.3854 6.3941 6.4204 6.4716 6.6894 6.6912 6.9323 6.9724 7.2302 7.2355 9.0594 9.0768 9.5025 9.5211 9.8061 9.8162 10.7717 10.7864 k =-0.2889 0.4031 0.5829 ( 5990 PWs) bands (ev): -7.7169 -7.7164 -7.0637 -7.0624 -6.9417 -6.9408 -6.6570 -6.6533 -1.2840 -1.2761 1.1434 1.1600 1.5141 1.5897 1.6252 1.6704 1.7646 1.8228 2.0844 2.1307 2.7366 2.7818 2.8065 2.8382 2.9394 3.0055 3.0848 3.1832 3.3269 3.3747 3.4199 3.4229 4.2526 4.2810 4.3314 4.3643 4.4363 4.4703 4.5182 4.5244 4.7880 4.9118 4.9893 5.0003 5.0960 5.1281 5.2109 5.2236 5.3855 5.3911 5.7614 5.8056 6.3778 6.3850 6.4153 6.4676 6.6869 6.6890 6.9254 6.9656 7.2384 7.2434 9.0509 9.0666 9.5137 9.5329 9.7916 9.8024 10.8133 10.8270 k =-0.2973 0.4149 0.5684 ( 5995 PWs) bands (ev): -7.7184 -7.7179 -7.0649 -7.0635 -6.9425 -6.9416 -6.6537 -6.6500 -1.2830 -1.2749 1.1558 1.1732 1.5156 1.5903 1.6253 1.6731 1.8027 1.8515 2.0438 2.0859 2.7423 2.7793 2.8009 2.8290 2.9385 3.0045 3.0858 3.1852 3.3276 3.3742 3.4215 3.4239 4.2506 4.2789 4.3338 4.3644 4.4335 4.4712 4.5185 4.5241 4.7940 4.9226 4.9792 4.9903 5.1040 5.1433 5.2009 5.2136 5.3815 5.3870 5.7581 5.8026 6.3725 6.3781 6.4115 6.4647 6.6852 6.6876 6.9203 6.9605 7.2444 7.2493 9.0438 9.0582 9.5224 9.5420 9.7812 9.7922 10.8518 10.8648 k =-0.3057 0.4267 0.5539 ( 6001 PWs) bands (ev): -7.7193 -7.7188 -7.0655 -7.0641 -6.9430 -6.9421 -6.6518 -6.6480 -1.2824 -1.2742 1.1636 1.1815 1.5162 1.5903 1.6237 1.6743 1.8403 1.8731 2.0162 2.0455 2.7482 2.7731 2.8013 2.8217 2.9379 3.0039 3.0864 3.1864 3.3281 3.3738 3.4226 3.4244 4.2494 4.2775 4.3352 4.3647 4.4317 4.4717 4.5186 4.5239 4.7979 4.9332 4.9675 4.9848 5.1109 5.1572 5.1911 5.2054 5.3790 5.3846 5.7562 5.8009 6.3695 6.3736 6.4093 6.4628 6.6843 6.6868 6.9172 6.9573 7.2481 7.2529 9.0390 9.0528 9.5280 9.5479 9.7748 9.7860 10.8837 10.8959 k =-0.3142 0.4384 0.5394 ( 6007 PWs) bands (ev): -7.7196 -7.7191 -7.0658 -7.0644 -6.9432 -6.9423 -6.6511 -6.6473 -1.2822 -1.2740 1.1662 1.1844 1.5163 1.5903 1.6229 1.6746 1.8659 1.8722 2.0171 2.0172 2.7515 2.7692 2.8027 2.8184 2.9378 3.0037 3.0866 3.1868 3.3283 3.3737 3.4229 3.4246 4.2489 4.2770 4.3357 4.3648 4.4310 4.4719 4.5187 4.5238 4.7992 4.9393 4.9608 4.9830 5.1136 5.1647 5.1853 5.2020 5.3781 5.3838 5.7555 5.8003 6.3686 6.3721 6.4085 6.4622 6.6841 6.6866 6.9160 6.9561 7.2493 7.2541 9.0374 9.0509 9.5299 9.5499 9.7726 9.7838 10.8986 10.9098 k =-0.3142 0.4384 0.5394 ( 6007 PWs) bands (ev): -7.7196 -7.7191 -7.0658 -7.0644 -6.9432 -6.9423 -6.6511 -6.6473 -1.2822 -1.2740 1.1662 1.1844 1.5163 1.5903 1.6229 1.6746 1.8659 1.8722 2.0171 2.0172 2.7515 2.7692 2.8027 2.8184 2.9378 3.0037 3.0866 3.1868 3.3283 3.3737 3.4229 3.4246 4.2489 4.2770 4.3357 4.3648 4.4310 4.4719 4.5187 4.5238 4.7992 4.9393 4.9608 4.9830 5.1136 5.1647 5.1853 5.2020 5.3781 5.3838 5.7555 5.8003 6.3686 6.3721 6.4085 6.4622 6.6841 6.6866 6.9160 6.9561 7.2493 7.2541 9.0374 9.0509 9.5299 9.5499 9.7726 9.7838 10.8986 10.9098 k =-0.3055 0.4263 0.5244 ( 6005 PWs) bands (ev): -7.7215 -7.7211 -7.0508 -7.0493 -6.9541 -6.9531 -6.6509 -6.6471 -1.2850 -1.2767 1.1447 1.1622 1.5138 1.5849 1.6467 1.6985 1.8524 1.8590 2.0318 2.0324 2.7423 2.7548 2.7792 2.8004 2.9397 3.0103 3.0867 3.1872 3.3125 3.3560 3.4138 3.4153 4.2519 4.2790 4.3325 4.3772 4.4308 4.4767 4.5214 4.5350 4.8052 4.9530 4.9576 4.9937 5.1453 5.1600 5.1672 5.2232 5.3663 5.3762 5.7378 5.7846 6.3739 6.3818 6.4195 6.4746 6.6819 6.6832 6.9154 6.9540 7.2542 7.2578 9.0441 9.0610 9.5416 9.5559 9.7926 9.8016 11.0027 11.0056 k =-0.2967 0.4141 0.5094 ( 6013 PWs) bands (ev): -7.7254 -7.7249 -7.0354 -7.0340 -6.9627 -6.9616 -6.6508 -6.6469 -1.2892 -1.2809 1.1249 1.1417 1.5046 1.5649 1.6855 1.7276 1.8396 1.8487 2.0492 2.0508 2.7246 2.7342 2.7602 2.7843 2.9430 3.0165 3.0882 3.1872 3.2973 3.3381 3.4044 3.4097 4.2554 4.2811 4.3284 4.3900 4.4303 4.4818 4.5233 4.5466 4.8087 4.9396 4.9755 5.0044 5.1475 5.1537 5.1844 5.2497 5.3558 5.3694 5.7191 5.7678 6.3787 6.3907 6.4309 6.4860 6.6806 6.6812 6.9134 6.9495 7.2568 7.2593 9.0510 9.0711 9.5553 9.5642 9.8097 9.8159 11.0533 11.0630 k =-0.2880 0.4019 0.4944 ( 6011 PWs) bands (ev): -7.7312 -7.7308 -7.0199 -7.0184 -6.9689 -6.9677 -6.6508 -6.6468 -1.2950 -1.2867 1.1068 1.1231 1.4920 1.5445 1.7219 1.7530 1.8309 1.8468 2.0694 2.0721 2.6995 2.7097 2.7457 2.7688 2.9471 3.0214 3.0913 3.1866 3.2826 3.3201 3.3964 3.4062 4.2595 4.2836 4.3242 4.4025 4.4294 4.4870 4.5256 4.5574 4.8090 4.9215 4.9931 5.0151 5.1312 5.1557 5.2206 5.2777 5.3461 5.3627 5.6997 5.7501 6.3829 6.3988 6.4425 6.4963 6.6803 6.6811 6.9103 6.9429 7.2569 7.2586 9.0583 9.0812 9.5712 9.5749 9.8248 9.8282 11.0890 11.0983 k =-0.2793 0.3897 0.4795 ( 6009 PWs) bands (ev): -7.7390 -7.7387 -7.0041 -7.0026 -6.9726 -6.9713 -6.6507 -6.6467 -1.3022 -1.2941 1.0905 1.1063 1.4780 1.5251 1.7456 1.7635 1.8357 1.8630 2.0921 2.0959 2.6707 2.6831 2.7324 2.7530 2.9516 3.0247 3.0958 3.1853 3.2684 3.3021 3.3900 3.4048 4.2639 4.2863 4.3200 4.4145 4.4281 4.4925 4.5282 4.5669 4.8057 4.9000 5.0101 5.0259 5.1197 5.1606 5.2576 5.3062 5.3371 5.3562 5.6797 5.7316 6.3863 6.4061 6.4539 6.5052 6.6816 6.6826 6.9064 6.9345 7.2546 7.2556 9.0661 9.0913 9.5883 9.5890 9.8393 9.8396 11.1171 11.1271 k =-0.2706 0.3776 0.4645 ( 6009 PWs) bands (ev): -7.7489 -7.7486 -6.9882 -6.9867 -6.9738 -6.9724 -6.6508 -6.6467 -1.3109 -1.3029 1.0762 1.0916 1.4637 1.5069 1.7479 1.7587 1.8623 1.8964 2.1173 2.1221 2.6402 2.6553 2.7191 2.7365 2.9560 3.0265 3.1010 3.1831 3.2546 3.2842 3.3855 3.4052 4.2686 4.2894 4.3159 4.4259 4.4266 4.4980 4.5312 4.5750 4.7983 4.8763 5.0266 5.0368 5.1139 5.1681 5.2930 5.3300 5.3307 5.3532 5.6593 5.7125 6.3889 6.4126 6.4649 6.5127 6.6848 6.6857 6.9021 6.9245 7.2497 7.2503 9.0747 9.1017 9.6040 9.6084 9.8512 9.8540 11.1370 11.1494 k =-0.2618 0.3654 0.4495 ( 6013 PWs) bands (ev): -7.7607 -7.7605 -6.9730 -6.9721 -6.9710 -6.9702 -6.6508 -6.6468 -1.3210 -1.3131 1.0640 1.0789 1.4496 1.4900 1.7374 1.7470 1.9023 1.9383 2.1449 2.1504 2.6090 2.6269 2.7052 2.7193 2.9603 3.0271 3.1062 3.1801 3.2411 3.2664 3.3829 3.4074 4.2734 4.2928 4.3120 4.4247 4.4365 4.5036 4.5345 4.5816 4.7872 4.8512 5.0428 5.0477 5.1138 5.1773 5.3098 5.3322 5.3410 5.3715 5.6391 5.6929 6.3903 6.4181 6.4756 6.5188 6.6898 6.6906 6.8980 6.9136 7.2425 7.2429 9.0843 9.1125 9.6217 9.6290 9.8640 9.8698 11.1452 11.1643 k =-0.2531 0.3532 0.4345 ( 6001 PWs) bands (ev): -7.7743 -7.7741 -6.9690 -6.9674 -6.9560 -6.9544 -6.6509 -6.6469 -1.3325 -1.3248 1.0539 1.0683 1.4363 1.4747 1.7222 1.7326 1.9471 1.9838 2.1746 2.1806 2.5776 2.5982 2.6908 2.7016 2.9643 3.0270 3.1108 3.1763 3.2281 3.2488 3.3824 3.4112 4.2781 4.2966 4.3087 4.4227 4.4465 4.5092 4.5381 4.5864 4.7729 4.8258 5.0587 5.0588 5.1189 5.1870 5.3038 5.3225 5.3739 5.3981 5.6199 5.6733 6.3903 6.4225 6.4859 6.5239 6.6965 6.6975 6.8945 6.9023 7.2333 7.2338 9.0949 9.1237 9.6410 9.6504 9.8786 9.8875 11.1285 11.1608 k =-0.2444 0.3410 0.4195 ( 6005 PWs) bands (ev): -7.7895 -7.7894 -6.9631 -6.9615 -6.9398 -6.9382 -6.6511 -6.6471 -1.3451 -1.3377 1.0459 1.0599 1.4239 1.4609 1.7053 1.7172 1.9936 2.0310 2.2061 2.2123 2.5465 2.5697 2.6759 2.6833 2.9679 3.0263 3.1144 3.1718 3.2154 3.2314 3.3838 3.4163 4.2821 4.3004 4.3065 4.4204 4.4557 4.5147 4.5419 4.5893 4.7565 4.8004 5.0698 5.0747 5.1281 5.1955 5.2964 5.3102 5.4070 5.4220 5.6036 5.6547 6.3887 6.4253 6.4959 6.5280 6.7047 6.7065 6.8911 6.8920 7.2224 7.2234 9.1066 9.1356 9.6611 9.6718 9.8955 9.9074 11.0723 11.0957 k =-0.2356 0.3288 0.4045 ( 6001 PWs) bands (ev): -7.8062 -7.8061 -6.9553 -6.9535 -6.9237 -6.9222 -6.6513 -6.6473 -1.3589 -1.3517 1.0403 1.0536 1.4126 1.4488 1.6878 1.7013 2.0403 2.0789 2.2391 2.2453 2.5162 2.5417 2.6606 2.6646 2.9713 3.0254 3.1169 3.1667 3.2031 3.2143 3.3871 3.4225 4.2843 4.3046 4.3062 4.4179 4.4640 4.5200 4.5457 4.5904 4.7389 4.7756 5.0807 5.0903 5.1406 5.2000 5.2922 5.2961 5.4362 5.4387 5.5938 5.6389 6.3852 6.4264 6.5057 6.5317 6.7146 6.7177 6.8808 6.8907 7.2104 7.2123 9.1193 9.1480 9.6815 9.6926 9.9151 9.9298 10.9930 11.0129 k =-0.2269 0.3167 0.3896 ( 6001 PWs) bands (ev): -7.8240 -7.8239 -6.9456 -6.9438 -6.9077 -6.9062 -6.6516 -6.6476 -1.3737 -1.3668 1.0369 1.0496 1.4027 1.4384 1.6700 1.6854 2.0862 2.1267 2.2731 2.2790 2.4876 2.5147 2.6450 2.6455 2.9744 3.0243 3.1182 3.1609 3.1914 3.1978 3.3920 3.4296 4.2841 4.3085 4.3089 4.4151 4.4715 4.5252 4.5495 4.5893 4.7212 4.7516 5.0913 5.1051 5.1554 5.1975 5.2808 5.2946 5.4437 5.4577 5.5946 5.6289 6.3797 6.4254 6.5155 6.5353 6.7262 6.7310 6.8719 6.8909 7.1979 7.2010 9.1327 9.1608 9.7015 9.7124 9.9372 9.9548 10.9020 10.9208 k =-0.2182 0.3045 0.3746 ( 5987 PWs) bands (ev): -7.8428 -7.8428 -6.9343 -6.9325 -6.8918 -6.8903 -6.6519 -6.6480 -1.3894 -1.3827 1.0358 1.0478 1.3942 1.4298 1.6522 1.6696 2.1300 2.1735 2.3074 2.3121 2.4625 2.4898 2.6263 2.6290 2.9774 3.0231 3.1184 3.1544 3.1805 3.1822 3.3984 3.4374 4.2820 4.3130 4.3132 4.4123 4.4780 4.5303 4.5533 4.5861 4.7042 4.7288 5.1015 5.1187 5.1707 5.1869 5.2660 5.3044 5.4359 5.4668 5.6071 5.6293 6.3723 6.4222 6.5252 6.5392 6.7397 6.7464 6.8649 6.8925 7.1856 7.1903 9.1463 9.1733 9.7206 9.7306 9.9617 9.9821 10.8035 10.8223 k =-0.2095 0.2923 0.3596 ( 5983 PWs) bands (ev): -7.8623 -7.8623 -6.9217 -6.9198 -6.8761 -6.8746 -6.6522 -6.6484 -1.4059 -1.3995 1.0371 1.0483 1.3872 1.4230 1.6347 1.6541 2.1698 2.2179 2.3407 2.3422 2.4445 2.4686 2.6069 2.6128 2.9801 3.0220 3.1177 3.1469 3.1683 3.1706 3.4059 3.4456 4.2789 4.3176 4.3185 4.4093 4.4835 4.5351 4.5567 4.5805 4.6886 4.7072 5.1106 5.1302 5.1702 5.1817 5.2561 5.3199 5.4193 5.4622 5.6275 5.6413 6.3632 6.4168 6.5351 6.5436 6.7549 6.7641 6.8602 6.8954 7.1742 7.1807 9.1593 9.1848 9.7383 9.7468 9.9880 10.0112 10.7003 10.7195 k =-0.2007 0.2801 0.3446 ( 5977 PWs) bands (ev): -7.8824 -7.8824 -6.9079 -6.9060 -6.8607 -6.8592 -6.6526 -6.6488 -1.4229 -1.4169 1.0407 1.0509 1.3819 1.4180 1.6176 1.6391 2.2021 2.2569 2.3637 2.3705 2.4420 2.4556 2.5877 2.5965 2.9829 3.0208 3.1162 3.1378 3.1570 3.1622 3.4144 3.4542 4.2755 4.3219 4.3246 4.4061 4.4877 4.5396 4.5599 4.5726 4.6747 4.6871 5.1173 5.1387 5.1501 5.1797 5.2594 5.3391 5.3988 5.4475 5.6517 5.6616 6.3526 6.4093 6.5451 6.5487 6.7718 6.7840 6.8579 6.8996 7.1642 7.1730 9.1703 9.1942 9.7546 9.7609 10.0153 10.0413 10.5946 10.6145 k =-0.1920 0.2679 0.3296 ( 5985 PWs) bands (ev): -7.9028 -7.9027 -6.8932 -6.8913 -6.8455 -6.8441 -6.6529 -6.6493 -1.4404 -1.4347 1.0467 1.0557 1.3783 1.4148 1.6009 1.6245 2.2215 2.2846 2.3756 2.3940 2.4574 2.4599 2.5698 2.5802 2.9856 3.0197 3.1139 3.1275 3.1484 3.1557 3.4236 3.4631 4.2720 4.3261 4.3309 4.4029 4.4907 4.5440 4.5615 4.5638 4.6627 4.6686 5.1132 5.1356 5.1428 5.1640 5.2766 5.3605 5.3782 5.4278 5.6772 5.6858 6.3411 6.4000 6.5544 6.5552 6.7901 6.8062 6.8584 6.9048 7.1563 7.1675 9.1779 9.1999 9.7697 9.7734 10.0418 10.0705 10.4893 10.5100 k =-0.1833 0.2558 0.3146 ( 5989 PWs) bands (ev): -7.9233 -7.9232 -6.8778 -6.8759 -6.8307 -6.8293 -6.6533 -6.6499 -1.4583 -1.4529 1.0550 1.0627 1.3764 1.4135 1.5849 1.6107 2.2241 2.2939 2.3895 2.4161 2.4721 2.4889 2.5561 2.5650 2.9884 3.0186 3.1110 3.1177 3.1418 3.1521 3.4333 3.4720 4.2684 4.3302 4.3374 4.3997 4.4923 4.5480 4.5506 4.5654 4.6516 4.6524 5.0900 5.1349 5.1364 5.1456 5.2997 5.3619 5.3806 5.4098 5.7026 5.7111 6.3290 6.3893 6.5609 6.5652 6.8093 6.8306 6.8621 6.9109 7.1509 7.1649 9.1801 9.2000 9.7844 9.7850 10.0638 10.0942 10.3897 10.4104 k =-0.1745 0.2436 0.2997 ( 5981 PWs) bands (ev): -7.9437 -7.9436 -6.8619 -6.8600 -6.8163 -6.8149 -6.6538 -6.6504 -1.4763 -1.4713 1.0656 1.0717 1.3764 1.4139 1.5698 1.5976 2.2127 2.2864 2.4084 2.4428 2.4815 2.5173 2.5553 2.5560 2.9913 3.0175 3.1075 3.1099 3.1364 3.1519 3.4434 3.4811 4.2651 4.3340 4.3439 4.3965 4.4925 4.5380 4.5518 4.5673 4.6365 4.6433 5.0611 5.1115 5.1342 5.1349 5.3193 5.3581 5.3771 5.4181 5.7272 5.7360 6.3168 6.3776 6.5679 6.5753 6.8279 6.8572 6.8705 6.9179 7.1485 7.1654 9.1746 9.1924 9.7972 9.7999 10.0715 10.0989 10.3096 10.3257 k =-0.1658 0.2314 0.2847 ( 5979 PWs) bands (ev): -7.9639 -7.9638 -6.8457 -6.8438 -6.8023 -6.8010 -6.6542 -6.6510 -1.4944 -1.4897 1.0785 1.0827 1.3781 1.4159 1.5559 1.5855 2.1933 2.2702 2.4266 2.4692 2.4740 2.5235 2.5714 2.5762 2.9941 3.0165 3.1036 3.1052 3.1324 3.1558 3.4537 3.4902 4.2619 4.3375 4.3504 4.3935 4.4912 4.5248 4.5553 4.5687 4.6231 4.6351 5.0299 5.0824 5.1179 5.1287 5.3246 5.3611 5.3775 5.4440 5.7505 5.7597 6.3047 6.3653 6.5753 6.5852 6.8437 6.8844 6.8864 6.9260 7.1493 7.1694 9.1593 9.1750 9.8116 9.8177 10.0447 10.0579 10.2761 10.2768 k =-0.1571 0.2192 0.2697 ( 5985 PWs) bands (ev): -7.9838 -7.9837 -6.8293 -6.8275 -6.7887 -6.7875 -6.6546 -6.6515 -1.5124 -1.5081 1.0935 1.0954 1.3817 1.4193 1.5434 1.5744 2.1701 2.2505 2.4370 2.4540 2.4937 2.5177 2.6047 2.6074 2.9967 3.0156 3.0997 3.1041 3.1304 3.1643 3.4641 3.4993 4.2590 4.3404 4.3569 4.3907 4.4886 4.5117 4.5583 4.5695 4.6114 4.6274 4.9972 5.0516 5.0935 5.1166 5.3263 5.3485 5.4086 5.4729 5.7723 5.7817 6.2930 6.3526 6.5831 6.5948 6.8563 6.9067 6.9146 6.9361 7.1534 7.1767 9.1324 9.1463 9.8294 9.8389 9.9753 9.9761 10.2711 10.2852 k =-0.1484 0.2070 0.2547 ( 6007 PWs) bands (ev): -8.0031 -8.0031 -6.8129 -6.8111 -6.7757 -6.7746 -6.6550 -6.6521 -1.5303 -1.5262 1.1098 1.1105 1.3872 1.4236 1.5329 1.5648 2.1451 2.2294 2.4311 2.4346 2.5103 2.5162 2.6407 2.6425 2.9987 3.0147 3.0958 3.1048 3.1333 3.1776 3.4746 3.5083 4.2563 4.3426 4.3632 4.3883 4.4848 4.4989 4.5608 4.5697 4.6013 4.6200 4.9638 5.0199 5.0636 5.0975 5.3306 5.3415 5.4435 5.5036 5.7925 5.8018 6.2819 6.3399 6.5910 6.6040 6.8676 6.9326 6.9370 6.9555 7.1608 7.1875 9.0931 9.1057 9.8467 9.8601 9.8823 9.8913 10.2884 10.3102 k =-0.1396 0.1949 0.2397 ( 5999 PWs) bands (ev): -8.0219 -8.0218 -6.7967 -6.7949 -6.7633 -6.7623 -6.6553 -6.6527 -1.5478 -1.5440 1.1255 1.1295 1.3945 1.4283 1.5254 1.5567 2.1196 2.2082 2.4058 2.4213 2.5179 2.5190 2.6769 2.6789 3.0004 3.0141 3.0922 3.1046 3.1445 3.1960 3.4852 3.5173 4.2542 4.3440 4.3694 4.3867 4.4800 4.4867 4.5627 4.5693 4.5928 4.6127 4.9299 4.9877 5.0300 5.0722 5.3374 5.3400 5.4804 5.5357 5.8113 5.8202 6.2715 6.3274 6.5990 6.6126 6.8796 6.9493 6.9618 6.9867 7.1714 7.2016 9.0418 9.0534 9.7744 9.7815 9.8876 9.8976 10.3134 10.3394 k =-0.1309 0.1827 0.2247 ( 5997 PWs) bands (ev): -8.0400 -8.0399 -6.7808 -6.7791 -6.7514 -6.7506 -6.6556 -6.6532 -1.5648 -1.5613 1.1423 1.1500 1.4036 1.4324 1.5217 1.5504 2.0940 2.1873 2.3787 2.4014 2.5182 2.5199 2.7127 2.7151 3.0017 3.0137 3.0889 3.1026 3.1644 3.2192 3.4958 3.5262 4.2526 4.3445 4.3755 4.3859 4.4746 4.4753 4.5640 4.5683 4.5857 4.6053 4.8960 4.9554 4.9944 5.0422 5.3427 5.3458 5.5185 5.5689 5.8284 5.8368 6.2619 6.3153 6.6068 6.6205 6.8929 6.9613 6.9924 7.0211 7.1852 7.2188 8.9796 8.9906 9.6738 9.6840 9.9203 9.9328 10.3402 10.3685 k =-0.1222 0.1705 0.2098 ( 5995 PWs) bands (ev): -8.0572 -8.0571 -6.7653 -6.7636 -6.7403 -6.7395 -6.6559 -6.6536 -1.5813 -1.5781 1.1597 1.1719 1.4144 1.4351 1.5231 1.5464 2.0687 2.1670 2.3500 2.3777 2.5134 2.5144 2.7475 2.7504 3.0030 3.0135 3.0859 3.0998 3.1912 3.2468 3.5063 3.5350 4.2516 4.3439 4.3813 4.3860 4.4647 4.4687 4.5644 4.5668 4.5796 4.5978 4.8625 4.9232 4.9580 5.0092 5.3484 5.3553 5.5575 5.6029 5.8442 5.8518 6.2530 6.3036 6.6143 6.6273 6.9082 6.9743 7.0241 7.0567 7.2018 7.2386 8.9079 8.9186 9.5753 9.5868 9.9586 9.9722 10.3662 10.3957 k =-0.1135 0.1583 0.1948 ( 5995 PWs) bands (ev): -8.0736 -8.0735 -6.7503 -6.7487 -6.7298 -6.7292 -6.6560 -6.6540 -1.5971 -1.5942 1.1773 1.1946 1.4271 1.4364 1.5299 1.5451 2.0439 2.1474 2.3197 2.3512 2.5006 2.5061 2.7810 2.7842 3.0043 3.0136 3.0831 3.0968 3.2232 3.2780 3.5168 3.5437 4.2512 4.3427 4.3867 4.3867 4.4548 4.4629 4.5638 4.5649 4.5745 4.5901 4.8299 4.8916 4.9217 4.9743 5.3560 5.3651 5.5970 5.6375 5.8586 5.8653 6.2450 6.2924 6.6211 6.6329 6.9260 6.9890 7.0565 7.0925 7.2209 7.2606 8.8286 8.8393 9.4800 9.4922 10.0006 10.0147 10.3898 10.4196 k =-0.1047 0.1461 0.1798 ( 5993 PWs) bands (ev): -8.0890 -8.0889 -6.7360 -6.7345 -6.7201 -6.7196 -6.6560 -6.6542 -1.6121 -1.6095 1.1946 1.2174 1.4372 1.4414 1.5418 1.5468 2.0197 2.1285 2.2879 2.3226 2.4828 2.4936 2.8128 2.8160 3.0059 3.0138 3.0808 3.0938 3.2589 3.3119 3.5271 3.5523 4.2515 4.3409 4.3879 4.3917 4.4458 4.4573 4.5620 4.5627 4.5702 4.5821 4.7984 4.8608 4.8862 4.9388 5.3647 5.3750 5.6367 5.6723 5.8718 5.8774 6.2378 6.2818 6.6272 6.6372 6.9466 7.0059 7.0891 7.1280 7.2424 7.2843 8.7435 8.7542 9.3888 9.4013 10.0449 10.0590 10.4101 10.4395 k =-0.0960 0.1340 0.1648 ( 5995 PWs) bands (ev): -8.1034 -8.1033 -6.7225 -6.7211 -6.7112 -6.7109 -6.6558 -6.6544 -1.6262 -1.6239 1.2110 1.2392 1.4394 1.4573 1.5521 1.5578 1.9963 2.1104 2.2547 2.2919 2.4610 2.4775 2.8427 2.8455 3.0077 3.0141 3.0787 3.0909 3.2969 3.3474 3.5374 3.5606 4.2527 4.3391 4.3894 4.3961 4.4376 4.4524 4.5594 4.5604 4.5660 4.5737 4.7687 4.8311 4.8521 4.9034 5.3739 5.3847 5.6760 5.7071 5.8839 5.8884 6.2314 6.2717 6.6322 6.6401 6.9704 7.0255 7.1216 7.1626 7.2658 7.3092 8.6541 8.6650 9.3023 9.3148 10.0904 10.1040 10.4267 10.4546 k =-0.0873 0.1218 0.1498 ( 6003 PWs) bands (ev): -8.1167 -8.1167 -6.7099 -6.7086 -6.7031 -6.7030 -6.6554 -6.6543 -1.6395 -1.6374 1.2260 1.2589 1.4448 1.4747 1.5613 1.5771 1.9736 2.0929 2.2201 2.2594 2.4365 2.4585 2.8703 2.8723 3.0099 3.0146 3.0768 3.0881 3.3358 3.3834 3.5476 3.5687 4.2547 4.3375 4.3908 4.3995 4.4300 4.4486 4.5559 4.5582 4.5617 4.5648 4.7411 4.8030 4.8197 4.8688 5.3832 5.3940 5.7145 5.7413 5.8950 5.8983 6.2258 6.2624 6.6360 6.6417 6.9976 7.0481 7.1535 7.1956 7.2907 7.3346 8.5620 8.5732 9.2210 9.2332 10.1358 10.1482 10.4392 10.4637 k =-0.0785 0.1096 0.1348 ( 5995 PWs) bands (ev): -8.1289 -8.1289 -6.6989 -6.6979 -6.6955 -6.6951 -6.6547 -6.6539 -1.6516 -1.6498 1.2391 1.2749 1.4551 1.4935 1.5748 1.5991 1.9518 2.0759 2.1841 2.2252 2.4104 2.4375 2.8955 2.8963 3.0125 3.0152 3.0754 3.0857 3.3746 3.4189 3.5576 3.5766 4.2578 4.3365 4.3920 4.4016 4.4231 4.4464 4.5508 4.5550 4.5567 4.5575 4.7164 4.7767 4.7894 4.8355 5.3923 5.4027 5.7518 5.7746 5.9053 5.9073 6.2210 6.2537 6.6386 6.6420 7.0284 7.0741 7.1845 7.2266 7.3167 7.3600 8.4684 8.4799 9.1454 9.1573 10.1794 10.1898 10.4474 10.4572 k =-0.0698 0.0974 0.1199 ( 5999 PWs) bands (ev): -8.1399 -8.1399 -6.6915 -6.6909 -6.6864 -6.6855 -6.6537 -6.6532 -1.6627 -1.6611 1.2502 1.2865 1.4714 1.5133 1.5928 1.6232 1.9309 2.0589 2.1471 2.1894 2.3839 2.4152 2.9173 2.9179 3.0155 3.0161 3.0742 3.0834 3.4123 3.4527 3.5677 3.5843 4.2620 4.3362 4.3928 4.4022 4.4166 4.4459 4.5428 4.5454 4.5547 4.5553 4.6951 4.7522 4.7615 4.8037 5.4010 5.4106 5.7873 5.8065 5.9146 5.9154 6.2168 6.2456 6.6399 6.6412 7.0628 7.1036 7.2143 7.2551 7.3433 7.3846 8.3746 8.3865 9.0761 9.0874 10.2193 10.2256 10.4201 10.4418 k =-0.0611 0.0853 0.1049 ( 5985 PWs) bands (ev): -8.1498 -8.1497 -6.6865 -6.6859 -6.6771 -6.6762 -6.6524 -6.6522 -1.6727 -1.6713 1.2593 1.2935 1.4934 1.5340 1.6150 1.6492 1.9110 2.0416 2.1091 2.1522 2.3580 2.3924 2.9350 2.9374 3.0175 3.0191 3.0734 3.0815 3.4478 3.4837 3.5779 3.5917 4.2673 4.3370 4.3931 4.4014 4.4102 4.4469 4.5318 4.5354 4.5531 4.5551 4.6775 4.7283 4.7377 4.7740 5.4091 5.4178 5.8203 5.8364 5.9228 5.9233 6.2135 6.2383 6.6395 6.6399 7.1006 7.1366 7.2424 7.2809 7.3696 7.4078 8.2819 8.2941 9.0136 9.0240 10.2493 10.2512 10.3875 10.3978 k =-0.0524 0.0731 0.0899 ( 5985 PWs) bands (ev): -8.1583 -8.1583 -6.6828 -6.6821 -6.6687 -6.6679 -6.6508 -6.6508 -1.6814 -1.6802 1.2665 1.2969 1.5200 1.5549 1.6413 1.6765 1.8925 2.0234 2.0705 2.1137 2.3339 2.3699 2.9495 2.9535 3.0194 3.0231 3.0730 3.0798 3.4802 3.5108 3.5886 3.5990 4.2737 4.3390 4.3928 4.3996 4.4038 4.4485 4.5187 4.5255 4.5528 4.5561 4.6635 4.7042 4.7188 4.7468 5.4165 5.4241 5.8502 5.8637 5.9293 5.9311 6.2108 6.2317 6.6372 6.6390 7.1414 7.1726 7.2686 7.3041 7.3949 7.4290 8.1914 8.2039 8.9583 8.9677 10.2507 10.2643 10.3726 10.3772 k =-0.0436 0.0609 0.0749 ( 5987 PWs) bands (ev): -8.1656 -8.1656 -6.6800 -6.6793 -6.6615 -6.6608 -6.6492 -6.6490 -1.6888 -1.6878 1.2722 1.2978 1.5494 1.5759 1.6711 1.7047 1.8759 2.0035 2.0321 2.0743 2.3127 2.3482 2.9608 2.9661 3.0220 3.0273 3.0729 3.0785 3.5086 3.5328 3.5998 3.6063 4.2814 4.3422 4.3919 4.3969 4.3973 4.4493 4.5049 4.5163 4.5538 4.5585 4.6523 4.6809 4.7037 4.7224 5.4230 5.4294 5.8763 5.8878 5.9353 5.9383 6.2087 6.2257 6.6346 6.6372 7.1844 7.2106 7.2928 7.3246 7.4184 7.4477 8.1047 8.1174 8.9108 8.9189 10.2324 10.2502 10.3765 10.3874 k =-0.0349 0.0487 0.0599 ( 5977 PWs) bands (ev): -8.1716 -8.1716 -6.6781 -6.6773 -6.6557 -6.6551 -6.6474 -6.6471 -1.6949 -1.6941 1.2767 1.2972 1.5796 1.5962 1.7037 1.7330 1.8623 1.9802 1.9956 2.0343 2.2955 2.3281 2.9693 2.9751 3.0254 3.0313 3.0731 3.0776 3.5320 3.5494 3.6112 3.6138 4.2902 4.3465 4.3890 4.3917 4.3950 4.4471 4.4933 4.5082 4.5567 4.5626 4.6427 4.6591 4.6918 4.7017 5.4285 5.4337 5.8979 5.9078 5.9409 5.9451 6.2073 6.2206 6.6322 6.6350 7.2279 7.2487 7.3151 7.3430 7.4396 7.4634 8.0238 8.0363 8.8713 8.8781 10.2088 10.2243 10.3939 10.4038 k =-0.0262 0.0365 0.0449 ( 5973 PWs) bands (ev): -8.1763 -8.1763 -6.6767 -6.6761 -6.6513 -6.6509 -6.6455 -6.6453 -1.6997 -1.6991 1.2804 1.2956 1.6082 1.6153 1.7383 1.7603 1.8539 1.9495 1.9658 1.9941 2.2830 2.3102 2.9756 2.9808 3.0292 3.0346 3.0736 3.0769 3.5498 3.5608 3.6213 3.6219 4.3001 4.3506 4.3826 4.3907 4.3929 4.4395 4.4868 4.5016 4.5614 4.5686 4.6330 4.6389 4.6825 4.6858 5.4331 5.4370 5.9144 5.9227 5.9465 5.9512 6.2066 6.2163 6.6300 6.6326 7.2684 7.2833 7.3363 7.3599 7.4578 7.4757 7.9514 7.9631 8.8403 8.8456 10.1876 10.1994 10.4118 10.4184 k =-0.0175 0.0244 0.0300 ( 5979 PWs) bands (ev): -8.1797 -8.1796 -6.6757 -6.6753 -6.6483 -6.6481 -6.6437 -6.6436 -1.7031 -1.7027 1.2835 1.2935 1.6318 1.6321 1.7732 1.7845 1.8542 1.9165 1.9396 1.9545 2.2756 2.2952 2.9800 2.9838 3.0328 3.0368 3.0743 3.0765 3.5619 3.5680 3.6284 3.6302 4.3109 4.3507 4.3805 4.3904 4.3910 4.4271 4.4853 4.4963 4.5684 4.5764 4.6206 4.6221 4.6754 4.6757 5.4365 5.4391 5.9257 5.9316 5.9527 5.9565 6.2064 6.2128 6.6284 6.6304 7.3005 7.3095 7.3583 7.3763 7.4727 7.4843 7.8921 7.9018 8.8182 8.8218 10.1720 10.1798 10.4250 10.4280 k =-0.0087 0.0122 0.0150 ( 5973 PWs) bands (ev): -8.1817 -8.1817 -6.6752 -6.6750 -6.6467 -6.6467 -6.6424 -6.6424 -1.7051 -1.7049 1.2862 1.2912 1.6447 1.6467 1.8041 1.8042 1.8658 1.8902 1.9140 1.9176 2.2734 2.2837 2.9829 2.9850 3.0356 3.0377 3.0750 3.0761 3.5690 3.5717 3.6338 3.6352 4.3223 4.3441 4.3850 4.3896 4.3919 4.4132 4.4864 4.4921 4.5778 4.5859 4.6045 4.6100 4.6704 4.6712 5.4388 5.4402 5.9324 5.9354 5.9580 5.9601 6.2069 6.2100 6.6276 6.6287 7.3196 7.3238 7.3794 7.3893 7.4835 7.4890 7.8526 7.8584 8.8053 8.8071 10.1630 10.1669 10.4313 10.4322 k = 0.0000 0.0000 0.0000 ( 5979 PWs) bands (ev): -8.1823 -8.1823 -6.6749 -6.6749 -6.6462 -6.6462 -6.6420 -6.6420 -1.7057 -1.7057 1.2888 1.2888 1.6506 1.6506 1.8161 1.8161 1.8824 1.8824 1.8947 1.8947 2.2763 2.2763 2.9846 2.9846 3.0373 3.0373 3.0756 3.0756 3.5721 3.5721 3.6363 3.6363 4.3337 4.3337 4.3882 4.3882 4.4002 4.4002 4.4888 4.4888 4.5890 4.5890 4.5985 4.5985 4.6693 4.6693 5.4401 5.4401 5.9355 5.9355 5.9607 5.9607 6.2081 6.2081 6.6277 6.6277 7.3268 7.3268 7.3915 7.3915 7.4890 7.4890 7.8404 7.8404 8.8015 8.8015 10.1613 10.1613 10.4328 10.4328 k = 0.0000 0.0000 0.0000 ( 5979 PWs) bands (ev): -8.1823 -8.1823 -6.6749 -6.6749 -6.6462 -6.6462 -6.6420 -6.6420 -1.7057 -1.7057 1.2888 1.2888 1.6506 1.6506 1.8161 1.8161 1.8824 1.8824 1.8947 1.8947 2.2763 2.2763 2.9846 2.9846 3.0373 3.0373 3.0756 3.0756 3.5721 3.5721 3.6363 3.6363 4.3337 4.3337 4.3882 4.3882 4.4002 4.4002 4.4888 4.4888 4.5890 4.5890 4.5985 4.5985 4.6693 4.6693 5.4401 5.4401 5.9355 5.9355 5.9607 5.9607 6.2081 6.2081 6.6277 6.6277 7.3268 7.3268 7.3915 7.3915 7.4890 7.4890 7.8404 7.8404 8.8015 8.8015 10.1613 10.1613 10.4328 10.4328 k = 0.0172 0.0124 0.0000 ( 5975 PWs) bands (ev): -8.1816 -8.1816 -6.6762 -6.6762 -6.6463 -6.6463 -6.6420 -6.6420 -1.7047 -1.7047 1.2882 1.2882 1.6508 1.6508 1.8125 1.8125 1.8822 1.8822 1.8959 1.8959 2.2825 2.2826 2.9841 2.9841 3.0374 3.0374 3.0745 3.0745 3.5722 3.5722 3.6365 3.6365 4.3340 4.3340 4.3882 4.3882 4.4004 4.4004 4.4885 4.4885 4.5895 4.5895 4.5986 4.5986 4.6696 4.6696 5.4386 5.4386 5.9357 5.9357 5.9608 5.9608 6.2079 6.2079 6.6272 6.6272 7.3243 7.3243 7.3888 7.3888 7.4742 7.4742 7.8607 7.8607 8.8025 8.8025 10.1619 10.1619 10.4311 10.4311 k = 0.0345 0.0247 0.0000 ( 5999 PWs) bands (ev): -8.1795 -8.1795 -6.6802 -6.6802 -6.6463 -6.6463 -6.6421 -6.6421 -1.7015 -1.7015 1.2865 1.2865 1.6509 1.6509 1.8028 1.8028 1.8823 1.8823 1.8990 1.8990 2.3005 2.3005 2.9825 2.9825 3.0376 3.0376 3.0710 3.0710 3.5725 3.5725 3.6370 3.6370 4.3349 4.3349 4.3880 4.3880 4.4007 4.4007 4.4877 4.4877 4.5908 4.5908 4.5991 4.5991 4.6703 4.6703 5.4341 5.4341 5.9361 5.9361 5.9611 5.9611 6.2075 6.2075 6.6256 6.6256 7.3164 7.3164 7.3807 7.3808 7.4380 7.4380 7.9135 7.9135 8.8055 8.8055 10.1636 10.1636 10.4257 10.4257 k = 0.0517 0.0371 0.0000 ( 5999 PWs) bands (ev): -8.1759 -8.1759 -6.6867 -6.6867 -6.6465 -6.6465 -6.6423 -6.6423 -1.6962 -1.6962 1.2838 1.2838 1.6490 1.6490 1.7901 1.7901 1.8836 1.8837 1.9036 1.9036 2.3280 2.3280 2.9795 2.9795 3.0380 3.0380 3.0656 3.0657 3.5731 3.5731 3.6378 3.6378 4.3364 4.3364 4.3878 4.3878 4.4014 4.4014 4.4868 4.4868 4.5929 4.5929 4.6001 4.6001 4.6715 4.6715 5.4268 5.4268 5.9370 5.9370 5.9617 5.9617 6.2068 6.2068 6.6230 6.6230 7.3032 7.3032 7.3672 7.3672 7.3936 7.3936 7.9862 7.9862 8.8104 8.8104 10.1662 10.1662 10.4160 10.4160 k = 0.0690 0.0494 0.0000 ( 5991 PWs) bands (ev): -8.1709 -8.1709 -6.6958 -6.6958 -6.6467 -6.6467 -6.6425 -6.6425 -1.6890 -1.6890 1.2806 1.2806 1.6420 1.6421 1.7795 1.7795 1.8864 1.8864 1.9096 1.9096 2.3628 2.3628 2.9748 2.9748 3.0384 3.0384 3.0590 3.0590 3.5739 3.5739 3.6390 3.6390 4.3385 4.3385 4.3875 4.3875 4.4021 4.4021 4.4856 4.4856 4.5953 4.5953 4.6018 4.6018 4.6733 4.6733 5.4170 5.4170 5.9380 5.9380 5.9625 5.9625 6.2059 6.2059 6.6193 6.6193 7.2840 7.2840 7.3428 7.3429 7.3552 7.3553 8.0706 8.0706 8.8174 8.8174 10.1694 10.1694 10.4011 10.4011 k = 0.0862 0.0618 0.0000 ( 5995 PWs) bands (ev): -8.1644 -8.1644 -6.7074 -6.7074 -6.6470 -6.6470 -6.6428 -6.6428 -1.6798 -1.6798 1.2772 1.2772 1.6271 1.6271 1.7752 1.7752 1.8905 1.8905 1.9171 1.9171 2.4026 2.4026 2.9674 2.9674 3.0384 3.0384 3.0524 3.0524 3.5749 3.5749 3.6404 3.6404 4.3411 4.3411 4.3871 4.3871 4.4025 4.4025 4.4847 4.4847 4.5974 4.5974 4.6047 4.6047 4.6756 4.6756 5.4048 5.4048 5.9393 5.9393 5.9633 5.9633 6.2048 6.2048 6.6145 6.6145 7.2578 7.2578 7.3052 7.3052 7.3308 7.3308 8.1627 8.1627 8.8264 8.8264 10.1726 10.1726 10.3799 10.3799 k = 0.1034 0.0741 0.0000 ( 5991 PWs) bands (ev): -8.1566 -8.1566 -6.7213 -6.7213 -6.6473 -6.6473 -6.6432 -6.6432 -1.6689 -1.6689 1.2741 1.2741 1.6042 1.6042 1.7785 1.7785 1.8957 1.8957 1.9263 1.9264 2.4459 2.4459 2.9565 2.9565 3.0368 3.0368 3.0478 3.0478 3.5761 3.5761 3.6421 3.6421 4.3443 4.3443 4.3866 4.3866 4.4026 4.4026 4.4840 4.4840 4.5992 4.5992 4.6085 4.6085 4.6787 4.6787 5.3908 5.3908 5.9406 5.9406 5.9642 5.9642 6.2033 6.2033 6.6086 6.6086 7.2256 7.2256 7.2714 7.2714 7.3051 7.3051 8.2599 8.2599 8.8375 8.8375 10.1747 10.1747 10.3514 10.3514 k = 0.1207 0.0865 0.0000 ( 5991 PWs) bands (ev): -8.1474 -8.1474 -6.7375 -6.7375 -6.6476 -6.6476 -6.6437 -6.6437 -1.6564 -1.6564 1.2715 1.2716 1.5755 1.5755 1.7875 1.7875 1.9018 1.9018 1.9374 1.9374 2.4914 2.4914 2.9413 2.9413 3.0331 3.0331 3.0468 3.0469 3.5774 3.5774 3.6441 3.6441 4.3479 4.3479 4.3858 4.3858 4.4019 4.4019 4.4841 4.4841 4.6009 4.6009 4.6127 4.6127 4.6829 4.6829 5.3754 5.3754 5.9418 5.9418 5.9649 5.9649 6.2017 6.2017 6.6016 6.6016 7.1916 7.1916 7.2406 7.2406 7.2767 7.2767 8.3608 8.3608 8.8506 8.8506 10.1746 10.1746 10.3140 10.3140 k = 0.1379 0.0988 0.0000 ( 5987 PWs) bands (ev): -8.1369 -8.1369 -6.7559 -6.7559 -6.6480 -6.6480 -6.6441 -6.6441 -1.6425 -1.6425 1.2700 1.2700 1.5436 1.5436 1.8001 1.8001 1.9088 1.9088 1.9505 1.9505 2.5381 2.5381 2.9215 2.9215 3.0292 3.0292 3.0478 3.0478 3.5789 3.5789 3.6464 3.6464 4.3520 4.3520 4.3847 4.3847 4.4004 4.4004 4.4850 4.4850 4.6026 4.6026 4.6166 4.6166 4.6887 4.6887 5.3590 5.3590 5.9428 5.9428 5.9654 5.9654 6.1998 6.1998 6.5936 6.5936 7.1594 7.1594 7.2103 7.2103 7.2461 7.2461 8.4639 8.4639 8.8658 8.8658 10.1703 10.1703 10.2668 10.2668 k = 0.1552 0.1112 0.0000 ( 6003 PWs) bands (ev): -8.1251 -8.1251 -6.7762 -6.7762 -6.6485 -6.6485 -6.6447 -6.6447 -1.6273 -1.6273 1.2697 1.2697 1.5103 1.5103 1.8145 1.8146 1.9165 1.9165 1.9656 1.9656 2.5853 2.5853 2.8974 2.8974 3.0261 3.0261 3.0496 3.0496 3.5805 3.5805 3.6488 3.6488 4.3565 4.3565 4.3830 4.3830 4.3981 4.3981 4.4868 4.4868 4.6044 4.6044 4.6194 4.6194 4.6966 4.6966 5.3423 5.3423 5.9432 5.9432 5.9654 5.9654 6.1977 6.1977 6.5843 6.5843 7.1305 7.1305 7.1795 7.1795 7.2139 7.2140 8.5681 8.5681 8.8832 8.8832 10.1594 10.1594 10.2128 10.2128 k = 0.1724 0.1236 0.0000 ( 6002 PWs) bands (ev): -8.1120 -8.1120 -6.7984 -6.7984 -6.6489 -6.6489 -6.6452 -6.6452 -1.6110 -1.6110 1.2709 1.2709 1.4767 1.4767 1.8298 1.8298 1.9248 1.9248 1.9827 1.9828 2.6325 2.6325 2.8693 2.8693 3.0241 3.0241 3.0520 3.0520 3.5822 3.5822 3.6515 3.6515 4.3611 4.3611 4.3802 4.3802 4.3954 4.3954 4.4895 4.4895 4.6064 4.6064 4.6209 4.6209 4.7071 4.7071 5.3257 5.3257 5.9430 5.9430 5.9649 5.9649 6.1954 6.1954 6.5740 6.5740 7.1053 7.1053 7.1482 7.1482 7.1811 7.1811 8.6720 8.6720 8.9028 8.9028 10.1367 10.1367 10.1563 10.1563 k = 0.1897 0.1359 0.0000 ( 6022 PWs) bands (ev): -8.0978 -8.0978 -6.8223 -6.8223 -6.6494 -6.6494 -6.6459 -6.6459 -1.5940 -1.5940 1.2737 1.2737 1.4437 1.4437 1.8450 1.8451 1.9335 1.9335 2.0018 2.0018 2.6789 2.6789 2.8379 2.8379 3.0229 3.0229 3.0548 3.0548 3.5840 3.5840 3.6543 3.6543 4.3652 4.3652 4.3763 4.3763 4.3931 4.3931 4.4926 4.4926 4.6082 4.6083 4.6211 4.6211 4.7204 4.7204 5.3097 5.3097 5.9420 5.9420 5.9637 5.9637 6.1930 6.1930 6.5625 6.5625 7.0837 7.0837 7.1170 7.1170 7.1483 7.1484 8.7740 8.7740 8.9249 8.9249 10.0814 10.0814 10.0954 10.0954 k = 0.2069 0.1483 0.0000 ( 6022 PWs) bands (ev): -8.0823 -8.0823 -6.8477 -6.8477 -6.6499 -6.6499 -6.6465 -6.6465 -1.5763 -1.5763 1.2781 1.2781 1.4121 1.4121 1.8599 1.8599 1.9426 1.9426 2.0226 2.0226 2.7242 2.7242 2.8037 2.8037 3.0223 3.0223 3.0581 3.0581 3.5858 3.5858 3.6572 3.6572 4.3645 4.3645 4.3752 4.3752 4.3915 4.3915 4.4960 4.4960 4.6099 4.6099 4.6208 4.6208 4.7366 4.7366 5.2947 5.2947 5.9398 5.9398 5.9616 5.9616 6.1904 6.1904 6.5500 6.5500 7.0649 7.0650 7.0866 7.0867 7.1166 7.1166 8.8713 8.8713 8.9505 8.9505 10.0125 10.0125 10.0267 10.0267 k = 0.2241 0.1606 0.0000 ( 6030 PWs) bands (ev): -8.0658 -8.0658 -6.8744 -6.8744 -6.6505 -6.6505 -6.6472 -6.6472 -1.5583 -1.5583 1.2834 1.2834 1.3831 1.3831 1.8741 1.8742 1.9520 1.9520 2.0445 2.0446 2.7612 2.7612 2.7737 2.7737 3.0223 3.0223 3.0617 3.0617 3.5876 3.5876 3.6603 3.6603 4.3566 4.3566 4.3791 4.3791 4.3906 4.3906 4.4989 4.4989 4.6107 4.6107 4.6211 4.6211 4.7553 4.7553 5.2812 5.2812 5.9363 5.9363 5.9585 5.9585 6.1877 6.1877 6.5363 6.5363 7.0460 7.0461 7.0597 7.0597 7.0870 7.0871 8.9525 8.9525 8.9889 8.9889 9.9402 9.9402 9.9547 9.9547 k = 0.2414 0.1730 0.0000 ( 6018 PWs) bands (ev): -8.0483 -8.0483 -6.9022 -6.9022 -6.6510 -6.6510 -6.6478 -6.6478 -1.5401 -1.5401 1.2874 1.2874 1.3591 1.3591 1.8876 1.8876 1.9615 1.9615 2.0672 2.0672 2.7270 2.7270 2.8112 2.8112 3.0226 3.0226 3.0659 3.0659 3.5895 3.5895 3.6634 3.6634 4.3457 4.3457 4.3835 4.3835 4.3909 4.3909 4.5008 4.5008 4.6108 4.6108 4.6228 4.6229 4.7766 4.7766 5.2692 5.2692 5.9313 5.9313 5.9542 5.9542 6.1851 6.1851 6.5216 6.5216 7.0217 7.0218 7.0399 7.0399 7.0622 7.0623 8.9933 8.9933 9.0617 9.0617 9.8662 9.8662 9.8810 9.8810 k = 0.2586 0.1853 0.0000 ( 6002 PWs) bands (ev): -8.0298 -8.0298 -6.9309 -6.9309 -6.6515 -6.6515 -6.6485 -6.6485 -1.5220 -1.5220 1.2842 1.2842 1.3466 1.3466 1.9003 1.9003 1.9711 1.9711 2.0898 2.0898 2.6870 2.6870 2.8508 2.8509 3.0233 3.0233 3.0706 3.0707 3.5913 3.5913 3.6665 3.6665 4.3328 4.3328 4.3861 4.3861 4.3936 4.3936 4.5012 4.5012 4.6111 4.6111 4.6259 4.6259 4.8002 4.8002 5.2589 5.2589 5.9246 5.9246 5.9484 5.9484 6.1824 6.1824 6.5059 6.5059 6.9957 6.9957 7.0200 7.0201 7.0461 7.0462 9.0243 9.0243 9.1352 9.1352 9.7918 9.7918 9.8068 9.8068 k = 0.2759 0.1977 0.0000 ( 5970 PWs) bands (ev): -8.0106 -8.0106 -6.9602 -6.9602 -6.6520 -6.6520 -6.6492 -6.6492 -1.5041 -1.5041 1.2695 1.2695 1.3500 1.3500 1.9121 1.9121 1.9806 1.9806 2.1115 2.1115 2.6463 2.6463 2.8879 2.8880 3.0245 3.0245 3.0761 3.0761 3.5931 3.5931 3.6697 3.6697 4.3181 4.3181 4.3866 4.3866 4.3985 4.3985 4.5000 4.5000 4.6126 4.6126 4.6298 4.6298 4.8256 4.8256 5.2503 5.2503 5.9162 5.9162 5.9414 5.9414 6.1798 6.1798 6.4892 6.4892 6.9712 6.9713 6.9986 6.9987 7.0374 7.0374 9.0554 9.0554 9.1964 9.1964 9.7181 9.7181 9.7331 9.7331 k = 0.2931 0.2100 0.0000 ( 5986 PWs) bands (ev): -7.9907 -7.9907 -6.9900 -6.9900 -6.6525 -6.6525 -6.6499 -6.6499 -1.4868 -1.4868 1.2489 1.2489 1.3638 1.3639 1.9230 1.9230 1.9899 1.9899 2.1311 2.1312 2.6060 2.6060 2.9220 2.9220 3.0256 3.0256 3.0822 3.0822 3.5948 3.5948 3.6727 3.6727 4.3019 4.3019 4.3866 4.3866 4.4038 4.4038 4.4970 4.4970 4.6158 4.6158 4.6340 4.6340 4.8527 4.8527 5.2433 5.2433 5.9059 5.9059 5.9327 5.9327 6.1771 6.1771 6.4716 6.4716 6.9492 6.9492 6.9784 6.9784 7.0324 7.0325 9.0873 9.0873 9.2418 9.2418 9.6459 9.6459 9.6610 9.6610 k = 0.3103 0.2224 0.0000 ( 5994 PWs) bands (ev): -7.9703 -7.9703 -7.0199 -7.0199 -6.6530 -6.6530 -6.6505 -6.6505 -1.4702 -1.4702 1.2272 1.2272 1.3834 1.3834 1.9329 1.9330 1.9988 1.9988 2.1474 2.1474 2.5676 2.5676 2.9525 2.9525 3.0270 3.0270 3.0894 3.0894 3.5964 3.5964 3.6757 3.6757 4.2844 4.2844 4.3864 4.3864 4.4092 4.4092 4.4928 4.4928 4.6205 4.6205 4.6388 4.6388 4.8812 4.8812 5.2377 5.2377 5.8940 5.8940 5.9227 5.9227 6.1746 6.1746 6.4533 6.4533 6.9300 6.9300 6.9607 6.9607 7.0297 7.0297 9.1200 9.1200 9.2709 9.2709 9.5763 9.5763 9.5913 9.5913 k = 0.3276 0.2347 0.0000 ( 5990 PWs) bands (ev): -7.9496 -7.9496 -7.0497 -7.0497 -6.6535 -6.6535 -6.6512 -6.6512 -1.4544 -1.4544 1.2064 1.2064 1.4070 1.4070 1.9418 1.9418 2.0074 2.0074 2.1585 2.1585 2.5327 2.5327 2.9790 2.9790 3.0285 3.0286 3.0978 3.0978 3.5980 3.5980 3.6786 3.6786 4.2659 4.2659 4.3862 4.3862 4.4144 4.4144 4.4878 4.4878 4.6266 4.6266 4.6439 4.6439 4.9105 4.9105 5.2333 5.2333 5.8808 5.8808 5.9114 5.9114 6.1723 6.1723 6.4345 6.4345 6.9139 6.9139 6.9457 6.9457 7.0285 7.0286 9.1530 9.1530 9.2853 9.2853 9.5101 9.5101 9.5249 9.5249 k = 0.3448 0.2471 0.0000 ( 5974 PWs) bands (ev): -7.9287 -7.9287 -7.0790 -7.0790 -6.6539 -6.6539 -6.6518 -6.6518 -1.4397 -1.4397 1.1869 1.1869 1.4339 1.4339 1.9493 1.9493 2.0155 2.0155 2.1622 2.1622 2.5037 2.5037 3.0011 3.0011 3.0303 3.0303 3.1077 3.1077 3.5995 3.5995 3.6814 3.6814 4.2469 4.2469 4.3861 4.3861 4.4194 4.4194 4.4826 4.4826 4.6337 4.6337 4.6492 4.6492 4.9402 4.9402 5.2301 5.2301 5.8665 5.8665 5.8992 5.8992 6.1702 6.1702 6.4154 6.4154 6.9008 6.9009 6.9335 6.9335 7.0285 7.0285 9.1858 9.1858 9.2884 9.2884 9.4479 9.4479 9.4625 9.4625 k = 0.3621 0.2595 0.0000 ( 5990 PWs) bands (ev): -7.9081 -7.9081 -7.1074 -7.1074 -6.6543 -6.6543 -6.6523 -6.6523 -1.4261 -1.4261 1.1692 1.1692 1.4638 1.4638 1.9552 1.9553 2.0229 2.0229 2.1569 2.1570 2.4825 2.4825 3.0183 3.0183 3.0325 3.0325 3.1189 3.1189 3.6008 3.6008 3.6839 3.6839 4.2277 4.2277 4.3859 4.3859 4.4238 4.4238 4.4775 4.4775 4.6410 4.6410 4.6545 4.6545 4.9697 4.9697 5.2278 5.2278 5.8517 5.8517 5.8865 5.8865 6.1682 6.1682 6.3963 6.3963 6.8905 6.8905 6.9238 6.9238 7.0292 7.0293 9.2176 9.2176 9.2840 9.2840 9.3907 9.3907 9.4048 9.4048 k = 0.3793 0.2718 0.0000 ( 5994 PWs) bands (ev): -7.8880 -7.8880 -7.1347 -7.1347 -6.6547 -6.6547 -6.6529 -6.6529 -1.4139 -1.4139 1.1533 1.1533 1.4965 1.4965 1.9590 1.9590 2.0297 2.0297 2.1423 2.1424 2.4699 2.4699 3.0293 3.0293 3.0368 3.0369 3.1310 3.1310 3.6020 3.6020 3.6863 3.6863 4.2091 4.2091 4.3858 4.3858 4.4278 4.4278 4.4728 4.4728 4.6485 4.6485 4.6597 4.6597 4.9984 4.9984 5.2261 5.2261 5.8368 5.8368 5.8736 5.8736 6.1664 6.1664 6.3776 6.3776 6.8827 6.8827 6.9164 6.9164 7.0305 7.0305 9.2451 9.2451 9.2772 9.2772 9.3393 9.3393 9.3526 9.3526 k = 0.3966 0.2842 0.0000 ( 5998 PWs) bands (ev): -7.8689 -7.8689 -7.1601 -7.1601 -6.6550 -6.6550 -6.6533 -6.6533 -1.4031 -1.4031 1.1395 1.1395 1.5316 1.5317 1.9595 1.9595 2.0357 2.0357 2.1204 2.1204 2.4650 2.4650 3.0331 3.0331 3.0449 3.0449 3.1433 3.1433 3.6031 3.6031 3.6884 3.6884 4.1915 4.1915 4.3857 4.3857 4.4314 4.4314 4.4686 4.4686 4.6557 4.6557 4.6648 4.6648 5.0255 5.0255 5.2251 5.2251 5.8223 5.8223 5.8610 5.8611 6.1648 6.1649 6.3598 6.3598 6.8771 6.8771 6.9111 6.9111 7.0319 7.0320 9.2500 9.2500 9.2867 9.2867 9.2955 9.2955 9.3067 9.3067 k = 0.4138 0.2965 0.0000 ( 5998 PWs) bands (ev): -7.8511 -7.8511 -7.1833 -7.1833 -6.6552 -6.6552 -6.6538 -6.6538 -1.3938 -1.3938 1.1277 1.1277 1.5689 1.5689 1.9549 1.9550 2.0407 2.0407 2.0953 2.0954 2.4655 2.4655 3.0350 3.0350 3.0522 3.0522 3.1548 3.1548 3.6040 3.6040 3.6902 3.6902 4.1755 4.1755 4.3857 4.3857 4.4344 4.4344 4.4650 4.4650 4.6624 4.6624 4.6695 4.6695 5.0502 5.0502 5.2244 5.2244 5.8089 5.8089 5.8494 5.8494 6.1635 6.1635 6.3434 6.3434 6.8733 6.8733 6.9074 6.9074 7.0335 7.0335 9.2315 9.2316 9.2603 9.2604 9.2707 9.2707 9.3107 9.3107 k = 0.4310 0.3089 0.0000 ( 6010 PWs) bands (ev): -7.8353 -7.8353 -7.2036 -7.2036 -6.6554 -6.6554 -6.6541 -6.6541 -1.3861 -1.3861 1.1180 1.1180 1.6078 1.6078 1.9425 1.9426 2.0447 2.0447 2.0727 2.0727 2.4689 2.4689 3.0364 3.0364 3.0577 3.0577 3.1650 3.1650 3.6048 3.6048 3.6917 3.6917 4.1616 4.1616 4.3856 4.3856 4.4369 4.4369 4.4620 4.4620 4.6682 4.6682 4.6736 4.6736 5.0719 5.0719 5.2241 5.2241 5.7970 5.7971 5.8391 5.8391 6.1624 6.1624 6.3289 6.3289 6.8708 6.8708 6.9049 6.9049 7.0350 7.0350 9.2055 9.2055 9.2291 9.2291 9.2505 9.2505 9.3334 9.3334 k = 0.4483 0.3212 0.0000 ( 5994 PWs) bands (ev): -7.8222 -7.8222 -7.2203 -7.2203 -6.6556 -6.6556 -6.6544 -6.6544 -1.3800 -1.3800 1.1104 1.1104 1.6476 1.6476 1.9205 1.9206 2.0467 2.0467 2.0577 2.0577 2.4734 2.4734 3.0375 3.0375 3.0617 3.0617 3.1733 3.1733 3.6054 3.6054 3.6929 3.6929 4.1503 4.1503 4.3858 4.3858 4.4389 4.4389 4.4598 4.4598 4.6730 4.6730 4.6770 4.6770 5.0897 5.0897 5.2239 5.2239 5.7873 5.7873 5.8306 5.8306 6.1616 6.1616 6.3170 6.3170 6.8693 6.8693 6.9034 6.9034 7.0363 7.0363 9.1813 9.1813 9.2030 9.2030 9.2386 9.2386 9.3523 9.3523 k = 0.4655 0.3336 0.0000 ( 5982 PWs) bands (ev): -7.8122 -7.8122 -7.2329 -7.2329 -6.6557 -6.6557 -6.6546 -6.6546 -1.3757 -1.3757 1.1050 1.1050 1.6866 1.6866 1.8912 1.8912 2.0437 2.0437 2.0537 2.0538 2.4775 2.4775 3.0383 3.0383 3.0644 3.0644 3.1794 3.1794 3.6058 3.6058 3.6938 3.6938 4.1419 4.1419 4.3858 4.3858 4.4404 4.4404 4.4583 4.4583 4.6766 4.6766 4.6796 4.6796 5.1030 5.1030 5.2239 5.2239 5.7800 5.7800 5.8242 5.8242 6.1611 6.1611 6.3079 6.3079 6.8685 6.8685 6.9025 6.9025 7.0373 7.0373 9.1630 9.1630 9.1840 9.1840 9.2307 9.2307 9.3665 9.3665 k = 0.4828 0.3459 0.0000 ( 5990 PWs) bands (ev): -7.8059 -7.8059 -7.2407 -7.2407 -6.6557 -6.6557 -6.6548 -6.6548 -1.3730 -1.3730 1.1017 1.1017 1.7204 1.7205 1.8616 1.8616 2.0403 2.0403 2.0543 2.0543 2.4802 2.4802 3.0388 3.0388 3.0660 3.0660 3.1831 3.1831 3.6061 3.6061 3.6944 3.6944 4.1367 4.1367 4.3858 4.3858 4.4411 4.4411 4.4573 4.4573 4.6788 4.6788 4.6811 4.6811 5.1112 5.1112 5.2239 5.2239 5.7755 5.7755 5.8203 5.8203 6.1607 6.1607 6.3023 6.3023 6.8681 6.8681 6.9021 6.9021 7.0379 7.0379 9.1518 9.1518 9.1725 9.1725 9.2261 9.2261 9.3752 9.3752 k = 0.5000 0.3583 0.0000 ( 5982 PWs) bands (ev): -7.8038 -7.8038 -7.2433 -7.2433 -6.6558 -6.6558 -6.6548 -6.6548 -1.3722 -1.3722 1.1006 1.1006 1.7363 1.7363 1.8469 1.8469 2.0392 2.0392 2.0546 2.0546 2.4812 2.4812 3.0389 3.0389 3.0666 3.0666 3.1844 3.1844 3.6062 3.6062 3.6946 3.6946 4.1350 4.1350 4.3858 4.3858 4.4414 4.4414 4.4570 4.4570 4.6796 4.6796 4.6817 4.6817 5.1139 5.1139 5.2239 5.2239 5.7739 5.7739 5.8190 5.8190 6.1606 6.1606 6.3004 6.3004 6.8681 6.8681 6.9020 6.9020 7.0382 7.0382 9.1480 9.1480 9.1686 9.1686 9.2245 9.2245 9.3782 9.3782 k = 0.5000 0.3583 0.0000 ( 5982 PWs) bands (ev): -7.8038 -7.8038 -7.2433 -7.2433 -6.6558 -6.6558 -6.6548 -6.6548 -1.3722 -1.3722 1.1006 1.1006 1.7363 1.7363 1.8469 1.8469 2.0392 2.0392 2.0546 2.0546 2.4812 2.4812 3.0389 3.0389 3.0666 3.0666 3.1844 3.1844 3.6062 3.6062 3.6946 3.6946 4.1350 4.1350 4.3858 4.3858 4.4414 4.4414 4.4570 4.4570 4.6796 4.6796 4.6817 4.6817 5.1139 5.1139 5.2239 5.2239 5.7739 5.7739 5.8190 5.8190 6.1606 6.1606 6.3004 6.3004 6.8681 6.8681 6.9020 6.9020 7.0382 7.0382 9.1480 9.1480 9.1686 9.1686 9.2245 9.2245 9.3782 9.3782 k = 0.4916 0.3701 0.0145 ( 5998 PWs) bands (ev): -7.8035 -7.8034 -7.2430 -7.2429 -6.6565 -6.6564 -6.6552 -6.6550 -1.3719 -1.3714 1.1013 1.1021 1.7297 1.7363 1.8429 1.8514 2.0345 2.0390 2.0512 2.0620 2.4774 2.4877 3.0385 3.0386 3.0653 3.0673 3.1808 3.1875 3.6052 3.6056 3.6921 3.6950 4.1339 4.1376 4.3854 4.3869 4.4243 4.4523 4.4574 4.4616 4.6609 4.6791 4.6826 4.7022 5.1098 5.1157 5.2222 5.2260 5.7729 5.7750 5.8185 5.8192 6.1600 6.1630 6.3005 6.3008 6.8657 6.8660 6.8963 6.9037 7.0381 7.0453 9.1368 9.1498 9.1624 9.1651 9.2264 9.2406 9.3849 9.3866 k = 0.4831 0.3819 0.0290 ( 6002 PWs) bands (ev): -7.8024 -7.8023 -7.2418 -7.2416 -6.6591 -6.6591 -6.6553 -6.6549 -1.3706 -1.3697 1.1041 1.1059 1.7174 1.7294 1.8396 1.8560 2.0271 2.0345 2.0515 2.0705 2.4765 2.4967 3.0373 3.0374 3.0634 3.0674 3.1766 3.1899 3.6027 3.6035 3.6876 3.6933 4.1343 4.1416 4.3858 4.3888 4.4068 4.4476 4.4658 4.4722 4.6421 4.6801 4.6868 4.7235 5.1034 5.1152 5.2211 5.2287 5.7718 5.7752 5.8186 5.8195 6.1615 6.1674 6.3012 6.3019 6.8575 6.8604 6.8903 6.9006 7.0450 7.0575 9.1198 9.1394 9.1535 9.1597 9.2434 9.2645 9.4054 9.4089 k = 0.4747 0.3937 0.0435 ( 6010 PWs) bands (ev): -7.8007 -7.8006 -7.2398 -7.2395 -6.6638 -6.6637 -6.6554 -6.6547 -1.3683 -1.3669 1.1092 1.1118 1.7004 1.7161 1.8365 1.8603 2.0176 2.0296 2.0521 2.0787 2.4788 2.5078 3.0354 3.0356 3.0610 3.0669 3.1720 3.1918 3.5986 3.5999 3.6812 3.6897 4.1362 4.1470 4.3872 4.3892 4.3913 4.4428 4.4702 4.4842 4.6258 4.6828 4.6926 4.7446 5.0952 5.1126 5.2204 5.2320 5.7694 5.7731 5.8204 5.8206 6.1647 6.1737 6.3024 6.3034 6.8439 6.8515 6.8863 6.8948 7.0569 7.0724 9.1012 9.1206 9.1501 9.1557 9.2659 9.2911 9.4370 9.4422 k = 0.4662 0.4054 0.0580 ( 6010 PWs) bands (ev): -7.7984 -7.7982 -7.2369 -7.2366 -6.6703 -6.6702 -6.6554 -6.6545 -1.3651 -1.3632 1.1164 1.1199 1.6798 1.6977 1.8330 1.8642 2.0062 2.0250 2.0517 2.0856 2.4844 2.5209 3.0328 3.0330 3.0580 3.0657 3.1670 3.1932 3.5930 3.5948 3.6731 3.6840 4.1396 4.1537 4.3720 4.3893 4.3943 4.4378 4.4746 4.4925 4.6136 4.6874 4.6997 4.7653 5.0856 5.1082 5.2202 5.2358 5.7644 5.7673 5.8230 5.8253 6.1697 6.1818 6.3042 6.3056 6.8274 6.8399 6.8836 6.8884 7.0711 7.0882 9.0830 9.1012 9.1505 9.1553 9.2903 9.3186 9.4772 9.4841 k = 0.4578 0.4172 0.0725 ( 6006 PWs) bands (ev): -7.7953 -7.7951 -7.2333 -7.2329 -6.6785 -6.6784 -6.6553 -6.6542 -1.3610 -1.3586 1.1259 1.1301 1.6563 1.6752 1.8285 1.8676 1.9929 2.0206 2.0503 2.0906 2.4933 2.5357 3.0294 3.0298 3.0543 3.0637 3.1616 3.1939 3.5860 3.5884 3.6633 3.6765 4.1445 4.1617 4.3553 4.3923 4.3976 4.4329 4.4789 4.4957 4.6071 4.6937 4.7081 4.7853 5.0749 5.1025 5.2203 5.2401 5.7560 5.7575 5.8275 5.8324 6.1763 6.1914 6.3065 6.3084 6.8102 6.8266 6.8816 6.8827 7.0859 7.1038 9.0660 9.0830 9.1560 9.1599 9.3151 9.3461 9.5239 9.5326 k = 0.4493 0.4290 0.0870 ( 6016 PWs) bands (ev): -7.7917 -7.7914 -7.2289 -7.2284 -6.6884 -6.6883 -6.6552 -6.6539 -1.3561 -1.3533 1.1374 1.1425 1.6306 1.6496 1.8230 1.8704 1.9779 2.0159 2.0480 2.0933 2.5055 2.5520 3.0254 3.0258 3.0500 3.0608 3.1560 3.1941 3.5774 3.5806 3.6521 3.6671 4.1507 4.1707 4.3394 4.3957 4.4010 4.4278 4.4833 4.4932 4.6070 4.7017 4.7173 4.8044 5.0636 5.0961 5.2208 5.2447 5.7439 5.7442 5.8334 5.8408 6.1841 6.2025 6.3092 6.3117 6.7936 6.8128 6.8775 6.8805 7.1001 7.1184 9.0506 9.0664 9.1675 9.1705 9.3394 9.3730 9.5759 9.5863 k = 0.4409 0.4408 0.1015 ( 6004 PWs) bands (ev): -7.7875 -7.7872 -7.2237 -7.2232 -6.6999 -6.6997 -6.6550 -6.6535 -1.3505 -1.3473 1.1510 1.1570 1.6033 1.6218 1.8163 1.8729 1.9613 2.0107 2.0448 2.0935 2.5206 2.5696 3.0207 3.0212 3.0449 3.0571 3.1503 3.1939 3.5676 3.5718 3.6395 3.6560 4.1583 4.1807 4.3246 4.3996 4.4043 4.4230 4.4863 4.4881 4.6125 4.7116 4.7274 4.8227 5.0524 5.0897 5.2215 5.2495 5.7278 5.7285 5.8399 5.8497 6.1931 6.2146 6.3125 6.3156 6.7783 6.7994 6.8736 6.8802 7.1134 7.1318 9.0370 9.0517 9.1856 9.1877 9.3627 9.3989 9.6323 9.6444 k = 0.4324 0.4526 0.1160 ( 5996 PWs) bands (ev): -7.7828 -7.7824 -7.2177 -7.2171 -6.7128 -6.7126 -6.6548 -6.6531 -1.3444 -1.3407 1.1667 1.1736 1.5748 1.5923 1.8084 1.8751 1.9432 2.0047 2.0409 2.0912 2.5383 2.5882 3.0153 3.0158 3.0389 3.0523 3.1445 3.1932 3.5563 3.5619 3.6260 3.6433 4.1671 4.1913 4.3110 4.4033 4.4072 4.4186 4.4779 4.4923 4.6216 4.7232 4.7382 4.8400 5.0415 5.0837 5.2225 5.2545 5.7087 5.7100 5.8462 5.8582 6.2031 6.2276 6.3162 6.3201 6.7646 6.7869 6.8708 6.8810 7.1253 7.1438 9.0253 9.0391 9.2105 9.2114 9.3847 9.4231 9.6924 9.7061 k = 0.4240 0.4644 0.1305 ( 5988 PWs) bands (ev): -7.7776 -7.7772 -7.2110 -7.2103 -6.7270 -6.7268 -6.6546 -6.6527 -1.3378 -1.3337 1.1844 1.1922 1.5454 1.5617 1.7994 1.8770 1.9237 1.9982 2.0360 2.0866 2.5580 2.6075 3.0092 3.0098 3.0321 3.0466 3.1387 3.1922 3.5438 3.5511 3.6116 3.6293 4.1771 4.2023 4.2987 4.4052 4.4097 4.4163 4.4691 4.4966 4.6331 4.7366 4.7493 4.8562 5.0314 5.0786 5.2235 5.2593 5.6871 5.6887 5.8514 5.8656 6.2138 6.2412 6.3203 6.3253 6.7527 6.7756 6.8694 6.8831 7.1359 7.1543 9.0157 9.0284 9.2415 9.2419 9.4050 9.4454 9.7558 9.7711 k = 0.4155 0.4762 0.1450 ( 5986 PWs) bands (ev): -7.7721 -7.7716 -7.2035 -7.2028 -6.7424 -6.7422 -6.6543 -6.6522 -1.3310 -1.3264 1.2039 1.2127 1.5156 1.5304 1.7892 1.8786 1.9032 1.9911 2.0303 2.0800 2.5791 2.6272 3.0023 3.0028 3.0243 3.0399 3.1331 3.1910 3.5300 3.5395 3.5966 3.6141 4.1880 4.2134 4.2877 4.4028 4.4115 4.4183 4.4616 4.5007 4.6459 4.7515 4.7607 4.8714 5.0223 5.0748 5.2245 5.2640 5.6634 5.6648 5.8552 5.8716 6.2251 6.2550 6.3247 6.3310 6.7426 6.7655 6.8693 6.8866 7.1455 7.1637 9.0080 9.0198 9.2775 9.2791 9.4235 9.4655 9.8222 9.8390 k = 0.4071 0.4879 0.1595 ( 5984 PWs) bands (ev): -7.7662 -7.7657 -7.1953 -7.1945 -6.7588 -6.7586 -6.6541 -6.6518 -1.3240 -1.3190 1.2251 1.2352 1.4859 1.4988 1.7779 1.8763 1.8857 1.9839 2.0238 2.0717 2.6013 2.6472 2.9946 2.9949 3.0157 3.0325 3.1275 3.1897 3.5151 3.5274 3.5813 3.5978 4.1998 4.2243 4.2782 4.3984 4.4127 4.4225 4.4560 4.5045 4.6596 4.7682 4.7724 4.8856 5.0147 5.0727 5.2252 5.2684 5.6378 5.6388 5.8572 5.8758 6.2369 6.2688 6.3295 6.3375 6.7341 6.7566 6.8707 6.8915 7.1543 7.1721 9.0025 9.0133 9.3187 9.3213 9.4403 9.4831 9.8915 9.9096 k = 0.3986 0.4997 0.1740 ( 5996 PWs) bands (ev): -7.7602 -7.7596 -7.1864 -7.1856 -6.7760 -6.7758 -6.6538 -6.6513 -1.3171 -1.3117 1.2476 1.2594 1.4567 1.4671 1.7656 1.8565 1.8849 1.9766 2.0166 2.0619 2.6238 2.6670 2.9858 2.9859 3.0062 3.0245 3.1222 3.1883 3.4992 3.5148 3.5657 3.5807 4.2123 4.2346 4.2701 4.3932 4.4133 4.4271 4.4526 4.5078 4.6740 4.7845 4.7866 4.8988 5.0086 5.0725 5.2255 5.2721 5.6107 5.6109 5.8570 5.8780 6.2490 6.2821 6.3347 6.3448 6.7271 6.7485 6.8734 6.8977 7.1626 7.1798 8.9989 9.0086 9.3638 9.3670 9.4558 9.4982 9.9638 9.9830 k = 0.3902 0.5115 0.1885 ( 5988 PWs) bands (ev): -7.7540 -7.7535 -7.1769 -7.1760 -6.7939 -6.7936 -6.6535 -6.6509 -1.3103 -1.3045 1.2707 1.2853 1.4289 1.4356 1.7523 1.8332 1.8871 1.9694 2.0090 2.0512 2.6463 2.6865 2.9753 2.9758 2.9962 3.0165 3.1171 3.1871 3.4825 3.5019 3.5501 3.5630 4.2252 4.2439 4.2638 4.3879 4.4141 4.4319 4.4515 4.5107 4.6889 4.7970 4.8065 4.9111 5.0045 5.0745 5.2252 5.2751 5.5816 5.5826 5.8548 5.8782 6.2615 6.2948 6.3402 6.3531 6.7211 6.7413 6.8774 6.9049 7.1709 7.1874 8.9974 9.0058 9.4118 9.4135 9.4714 9.5108 10.0391 10.0592 k = 0.3818 0.5233 0.2030 ( 5984 PWs) bands (ev): -7.7479 -7.7473 -7.1667 -7.1657 -6.8121 -6.8118 -6.6532 -6.6504 -1.3039 -1.2977 1.2923 1.3125 1.4047 1.4050 1.7381 1.8090 1.8897 1.9622 2.0015 2.0398 2.6682 2.7053 2.9631 2.9641 2.9862 3.0088 3.1123 3.1860 3.4652 3.4888 3.5346 3.5448 4.2376 4.2519 4.2598 4.3826 4.4156 4.4366 4.4523 4.5130 4.7038 4.8100 4.8277 4.9226 5.0025 5.0787 5.2239 5.2770 5.5516 5.5540 5.8505 5.8763 6.2742 6.3066 6.3460 6.3625 6.7160 6.7344 6.8824 6.9129 7.1794 7.1949 8.9978 9.0048 9.4526 9.4610 9.4940 9.5214 10.1178 10.1386 k = 0.3733 0.5351 0.2175 ( 5988 PWs) bands (ev): -7.7420 -7.7413 -7.1559 -7.1548 -6.8306 -6.8302 -6.6529 -6.6499 -1.2980 -1.2914 1.3059 1.3396 1.3759 1.3912 1.7233 1.7843 1.8925 1.9546 1.9948 2.0282 2.6889 2.7229 2.9489 2.9505 2.9764 3.0019 3.1077 3.1851 3.4476 3.4756 3.5193 3.5265 4.2456 4.2584 4.2618 4.3772 4.4179 4.4412 4.4549 4.5147 4.7186 4.8237 4.8501 4.9331 5.0028 5.0853 5.2215 5.2773 5.5216 5.5255 5.8440 5.8723 6.2871 6.3173 6.3521 6.3730 6.7114 6.7278 6.8880 6.9213 7.1882 7.2026 8.9999 9.0053 9.4732 9.5072 9.5327 9.5337 10.2002 10.2214 k = 0.3649 0.5469 0.2320 ( 5992 PWs) bands (ev): -7.7363 -7.7357 -7.1445 -7.1434 -6.8490 -6.8485 -6.6526 -6.6495 -1.2927 -1.2858 1.3017 1.3396 1.3760 1.3976 1.7081 1.7593 1.8951 1.9462 1.9897 2.0172 2.7078 2.7391 2.9328 2.9350 2.9670 2.9963 3.1033 3.1846 3.4297 3.4624 3.5042 3.5083 4.2461 4.2634 4.2727 4.3720 4.4210 4.4457 4.4594 4.5160 4.7331 4.8381 4.8730 4.9426 5.0057 5.0942 5.2175 5.2754 5.4924 5.4977 5.8357 5.8666 6.3001 6.3269 6.3585 6.3845 6.7070 6.7213 6.8938 6.9296 7.1975 7.2106 9.0038 9.0073 9.4840 9.5290 9.5654 9.5800 10.2868 10.3080 k = 0.3564 0.5587 0.2465 ( 5986 PWs) bands (ev): -7.7312 -7.7306 -7.1326 -7.1314 -6.8670 -6.8665 -6.6523 -6.6491 -1.2883 -1.2811 1.2834 1.3123 1.4049 1.4208 1.6932 1.7343 1.8969 1.9365 1.9872 2.0075 2.7243 2.7533 2.9148 2.9178 2.9584 2.9924 3.0993 3.1844 3.4120 3.4490 3.4896 3.4906 4.2450 4.2671 4.2864 4.3669 4.4241 4.4501 4.4660 4.5170 4.7469 4.8534 4.8958 4.9512 5.0120 5.1055 5.2118 5.2707 5.4651 5.4715 5.8258 5.8590 6.3131 6.3355 6.3654 6.3969 6.7028 6.7148 6.8997 6.9374 7.2070 7.2189 9.0091 9.0105 9.4919 9.5348 9.6097 9.6255 10.3780 10.3988 k = 0.3480 0.5705 0.2610 ( 5990 PWs) bands (ev): -7.7267 -7.7261 -7.1201 -7.1189 -6.8845 -6.8840 -6.6520 -6.6486 -1.2847 -1.2773 1.2601 1.2846 1.4353 1.4513 1.6791 1.7094 1.8969 1.9253 1.9875 2.0005 2.7377 2.7650 2.8950 2.8991 2.9508 2.9904 3.0957 3.1845 3.3944 3.4353 3.4736 3.4753 4.2443 4.2699 4.3007 4.3620 4.4267 4.4543 4.4747 4.5177 4.7598 4.8695 4.9174 4.9586 5.0224 5.1191 5.2041 5.2623 5.4409 5.4474 5.8142 5.8499 6.3260 6.3433 6.3727 6.4099 6.6986 6.7084 6.9050 6.9443 7.2167 7.2271 9.0147 9.0158 9.4987 9.5381 9.6515 9.6674 10.4740 10.4941 k = 0.3395 0.5822 0.2755 ( 6001 PWs) bands (ev): -7.7232 -7.7225 -7.1071 -7.1059 -6.9012 -6.9005 -6.6517 -6.6483 -1.2823 -1.2746 1.2358 1.2576 1.4646 1.4853 1.6674 1.6848 1.8939 1.9129 1.9907 1.9974 2.7475 2.7733 2.8735 2.8793 2.9446 2.9907 3.0924 3.1849 3.3771 3.4211 3.4580 3.4615 4.2443 4.2720 4.3147 4.3575 4.4286 4.4586 4.4852 4.5183 4.7716 4.8863 4.9365 4.9645 5.0377 5.1350 5.1947 5.2496 5.4207 5.4259 5.8013 5.8394 6.3385 6.3504 6.3806 6.4231 6.6944 6.7022 6.9095 6.9499 7.2261 7.2351 9.0196 9.0236 9.5053 9.5405 9.6890 9.7045 10.5748 10.5938 k = 0.3311 0.5940 0.2900 ( 6005 PWs) bands (ev): -7.7206 -7.7200 -7.0937 -7.0924 -6.9167 -6.9160 -6.6515 -6.6479 -1.2810 -1.2731 1.2117 1.2319 1.4903 1.5215 1.6604 1.6609 1.8875 1.8996 1.9968 1.9993 2.7533 2.7774 2.8507 2.8587 2.9401 2.9932 3.0897 3.1855 3.3603 3.4061 3.4442 3.4484 4.2451 4.2737 4.3273 4.3545 4.4300 4.4629 4.4968 4.5190 4.7822 4.9037 4.9521 4.9689 5.0585 5.1531 5.1842 5.2330 5.4049 5.4073 5.7871 5.8275 6.3504 6.3569 6.3892 6.4364 6.6905 6.6963 6.9130 6.9539 7.2350 7.2425 9.0252 9.0322 9.5124 9.5429 9.7216 9.7362 10.6800 10.6974 k = 0.3226 0.6058 0.3045 ( 6013 PWs) bands (ev): -7.7194 -7.7188 -7.0799 -7.0786 -6.9308 -6.9300 -6.6513 -6.6476 -1.2809 -1.2729 1.1884 1.2074 1.5086 1.5585 1.6384 1.6618 1.8778 1.8859 2.0056 2.0061 2.7547 2.7764 2.8268 2.8380 2.9379 2.9978 3.0877 3.1862 3.3440 3.3903 3.4325 3.4360 4.2467 4.2753 4.3354 4.3559 4.4307 4.4673 4.5089 4.5200 4.7915 4.9214 4.9613 4.9739 5.0842 5.1728 5.1737 5.2136 5.3915 5.3930 5.7718 5.8144 6.3617 6.3629 6.3985 6.4495 6.6870 6.6910 6.9152 6.9561 7.2428 7.2490 9.0312 9.0414 9.5204 9.5458 9.7494 9.7625 10.7887 10.8038 k = 0.3142 0.6176 0.3190 ( 6007 PWs) bands (ev): -7.7196 -7.7191 -7.0658 -7.0644 -6.9432 -6.9423 -6.6511 -6.6473 -1.2822 -1.2740 1.1662 1.1844 1.5163 1.5903 1.6229 1.6746 1.8659 1.8722 2.0171 2.0172 2.7515 2.7692 2.8027 2.8184 2.9378 3.0037 3.0866 3.1868 3.3283 3.3737 3.4229 3.4246 4.2489 4.2770 4.3357 4.3648 4.4310 4.4719 4.5187 4.5238 4.7992 4.9393 4.9608 4.9830 5.1136 5.1647 5.1853 5.2020 5.3781 5.3838 5.7555 5.8003 6.3686 6.3721 6.4085 6.4622 6.6841 6.6866 6.9160 6.9561 7.2493 7.2541 9.0374 9.0509 9.5299 9.5499 9.7726 9.7838 10.8986 10.9098 k = 0.3142 0.6176 0.3190 ( 6007 PWs) bands (ev): -7.7196 -7.7191 -7.0658 -7.0644 -6.9432 -6.9423 -6.6511 -6.6473 -1.2822 -1.2740 1.1662 1.1844 1.5163 1.5903 1.6229 1.6746 1.8659 1.8722 2.0171 2.0172 2.7515 2.7692 2.8027 2.8184 2.9378 3.0037 3.0866 3.1868 3.3283 3.3737 3.4229 3.4246 4.2489 4.2770 4.3357 4.3648 4.4310 4.4719 4.5187 4.5238 4.7992 4.9393 4.9608 4.9830 5.1136 5.1647 5.1853 5.2020 5.3781 5.3838 5.7555 5.8003 6.3686 6.3721 6.4085 6.4622 6.6841 6.6866 6.9160 6.9561 7.2493 7.2541 9.0374 9.0509 9.5299 9.5499 9.7726 9.7838 10.8986 10.9098 k = 0.2957 0.6123 0.3255 ( 6000 PWs) bands (ev): -7.7207 -7.7202 -7.0594 -7.0580 -6.9472 -6.9462 -6.6512 -6.6474 -1.2836 -1.2754 1.1569 1.1746 1.5153 1.5915 1.6279 1.6844 1.8597 1.8690 2.0227 2.0250 2.7423 2.7552 2.8010 2.8157 2.9382 3.0067 3.0861 3.1864 3.3203 3.3635 3.4198 3.4221 4.2502 4.2776 4.3348 4.3701 4.4307 4.4736 4.5205 4.5285 4.8022 4.9398 4.9652 4.9878 5.1273 5.1619 5.1793 5.2096 5.3730 5.3805 5.7479 5.7934 6.3714 6.3769 6.4134 6.4677 6.6831 6.6854 6.9154 6.9548 7.2518 7.2560 9.0422 9.0575 9.5332 9.5505 9.7817 9.7920 10.9397 10.9561 k = 0.2772 0.6071 0.3320 ( 6004 PWs) bands (ev): -7.7230 -7.7226 -7.0539 -7.0525 -6.9482 -6.9471 -6.6518 -6.6480 -1.2860 -1.2779 1.1482 1.1656 1.5102 1.5801 1.6428 1.6966 1.8550 1.8689 2.0297 2.0349 2.7224 2.7311 2.8092 2.8214 2.9387 3.0098 3.0852 3.1849 3.3105 3.3495 3.4188 3.4223 4.2515 4.2779 4.3338 4.3754 4.4297 4.4745 4.5223 4.5342 4.8051 4.9327 4.9753 4.9931 5.1402 5.1601 5.1731 5.2196 5.3687 5.3776 5.7399 5.7860 6.3752 6.3824 6.4187 6.4730 6.6823 6.6852 6.9134 6.9517 7.2538 7.2570 9.0508 9.0683 9.5343 9.5490 9.7904 9.7996 10.9701 10.9968 k = 0.2587 0.6018 0.3384 ( 6000 PWs) bands (ev): -7.7263 -7.7259 -7.0501 -7.0488 -6.9457 -6.9444 -6.6529 -6.6491 -1.2892 -1.2812 1.1406 1.1574 1.5015 1.5632 1.6611 1.7106 1.8528 1.8705 2.0380 2.0469 2.6969 2.7045 2.8199 2.8308 2.9391 3.0127 3.0841 3.1822 3.2994 3.3337 3.4189 3.4237 4.2530 4.2781 4.3329 4.3803 4.4283 4.4748 4.5244 4.5400 4.8083 4.9246 4.9843 4.9989 5.1508 5.1583 5.1711 5.2305 5.3652 5.3752 5.7315 5.7779 6.3800 6.3886 6.4244 6.4781 6.6820 6.6861 6.9101 6.9470 7.2545 7.2569 9.0627 9.0828 9.5345 9.5473 9.7988 9.8069 10.9993 11.0279 k = 0.2403 0.5965 0.3449 ( 6002 PWs) bands (ev): -7.7303 -7.7299 -7.0485 -7.0473 -6.9394 -6.9378 -6.6546 -6.6507 -1.2931 -1.2854 1.1341 1.1503 1.4897 1.5435 1.6804 1.7260 1.8531 1.8731 2.0475 2.0606 2.6684 2.6768 2.8314 2.8418 2.9393 3.0151 3.0829 3.1784 3.2877 3.3174 3.4197 3.4256 4.2546 4.2782 4.3320 4.3842 4.4266 4.4743 4.5270 4.5455 4.8119 4.9169 4.9908 5.0052 5.1550 5.1563 5.1780 5.2421 5.3625 5.3734 5.7225 5.7690 6.3858 6.3957 6.4305 6.4829 6.6824 6.6878 6.9055 6.9408 7.2532 7.2552 9.0774 9.1004 9.5351 9.5473 9.8068 9.8139 11.0308 11.0580 k = 0.2218 0.5912 0.3514 ( 6005 PWs) bands (ev): -7.7348 -7.7344 -7.0491 -7.0480 -6.9296 -6.9277 -6.6569 -6.6530 -1.2976 -1.2901 1.1288 1.1442 1.4758 1.5225 1.6999 1.7421 1.8554 1.8762 2.0583 2.0757 2.6383 2.6483 2.8429 2.8537 2.9394 3.0166 3.0817 3.1736 3.2755 3.3015 3.4208 3.4276 4.2564 4.2785 4.3310 4.3866 4.4251 4.4733 4.5300 4.5504 4.8161 4.9101 4.9955 5.0112 5.1518 5.1586 5.1903 5.2543 5.3606 5.3722 5.7128 5.7592 6.3925 6.4035 6.4367 6.4874 6.6834 6.6902 6.8998 6.9334 7.2493 7.2518 9.0943 9.1202 9.5377 9.5510 9.8143 9.8202 11.0651 11.0903 k = 0.2033 0.5860 0.3579 ( 6005 PWs) bands (ev): -7.7396 -7.7393 -7.0512 -7.0503 -6.9170 -6.9150 -6.6599 -6.6559 -1.3025 -1.2954 1.1248 1.1394 1.4603 1.5009 1.7191 1.7587 1.8594 1.8794 2.0702 2.0920 2.6073 2.6194 2.8545 2.8661 2.9394 3.0172 3.0805 3.1678 3.2631 3.2864 3.4221 3.4294 4.2584 4.2790 4.3299 4.3870 4.4241 4.4719 4.5332 4.5546 4.8209 4.9041 4.9989 5.0162 5.1494 5.1605 5.2045 5.2674 5.3594 5.3715 5.7023 5.7484 6.4001 6.4120 6.4430 6.4916 6.6853 6.6933 6.8932 6.9249 7.2428 7.2463 9.1129 9.1415 9.5441 9.5594 9.8211 9.8259 11.1010 11.1236 k = 0.1848 0.5807 0.3644 ( 6010 PWs) bands (ev): -7.7446 -7.7442 -7.0544 -7.0536 -6.9025 -6.9003 -6.6635 -6.6596 -1.3076 -1.3010 1.1219 1.1355 1.4441 1.4794 1.7377 1.7755 1.8645 1.8824 2.0831 2.1092 2.5759 2.5902 2.8660 2.8789 2.9393 3.0165 3.0793 3.1609 3.2507 3.2728 3.4234 3.4309 4.2607 4.2799 4.3286 4.3852 4.4240 4.4702 4.5365 4.5578 4.8260 4.8990 5.0016 5.0200 5.1480 5.1623 5.2196 5.2812 5.3589 5.3714 5.6909 5.7365 6.4085 6.4213 6.4493 6.4953 6.6878 6.6971 6.8857 6.9155 7.2339 7.2384 9.1325 9.1631 9.5556 9.5730 9.8268 9.8309 11.1355 11.1547 k = 0.1663 0.5754 0.3709 ( 6012 PWs) bands (ev): -7.7494 -7.7491 -7.0580 -7.0573 -6.8869 -6.8845 -6.6679 -6.6640 -1.3128 -1.3067 1.1201 1.1327 1.4279 1.4586 1.7555 1.7924 1.8704 1.8849 2.0970 2.1271 2.5442 2.5610 2.8773 2.8919 2.9392 3.0148 3.0780 3.1531 3.2387 3.2608 3.4246 3.4321 4.2633 4.2811 4.3272 4.3813 4.4248 4.4683 4.5396 4.5602 4.8313 4.8947 5.0038 5.0226 5.1477 5.1641 5.2355 5.2956 5.3591 5.3718 5.6786 5.7234 6.4176 6.4310 6.4555 6.4986 6.6911 6.7015 6.8775 6.9053 7.2229 7.2282 9.1526 9.1843 9.5730 9.5915 9.8311 9.8355 11.1645 11.1794 k = 0.1479 0.5702 0.3773 ( 6017 PWs) bands (ev): -7.7541 -7.7539 -7.0618 -7.0612 -6.8705 -6.8679 -6.6731 -6.6692 -1.3179 -1.3123 1.1194 1.1308 1.4122 1.4388 1.7721 1.8091 1.8767 1.8866 2.1118 2.1455 2.5127 2.5321 2.8883 2.9048 2.9393 3.0121 3.0763 3.1444 3.2275 3.2503 3.4259 3.4331 4.2663 4.2826 4.3256 4.3757 4.4263 4.4662 4.5426 4.5617 4.8368 4.8912 5.0058 5.0241 5.1483 5.1656 5.2521 5.3103 5.3603 5.3729 5.6654 5.7093 6.4272 6.4412 6.4617 6.5014 6.6950 6.7063 6.8689 6.8946 7.2102 7.2162 9.1729 9.2045 9.5960 9.6146 9.8340 9.8399 11.1850 11.1967 k = 0.1294 0.5649 0.3838 ( 6013 PWs) bands (ev): -7.7585 -7.7583 -7.0655 -7.0650 -6.8538 -6.8511 -6.6791 -6.6753 -1.3228 -1.3178 1.1194 1.1296 1.3975 1.4203 1.7875 1.8253 1.8829 1.8878 2.1273 2.1640 2.4815 2.5037 2.8990 2.9176 2.9396 3.0089 3.0738 3.1350 3.2178 3.2413 3.4270 3.4338 4.2699 4.2845 4.3237 4.3690 4.4281 4.4639 4.5453 4.5626 4.8421 4.8883 5.0075 5.0247 5.1496 5.1669 5.2692 5.3241 5.3630 5.3749 5.6513 5.6940 6.4369 6.4515 6.4677 6.5039 6.6997 6.7117 6.8598 6.8834 7.1965 7.2029 9.1929 9.2232 9.6240 9.6412 9.8358 9.8439 11.1974 11.2080 k = 0.1109 0.5596 0.3903 ( 6003 PWs) bands (ev): -7.7625 -7.7623 -7.0689 -7.0685 -6.8371 -6.8343 -6.6860 -6.6822 -1.3273 -1.3230 1.1201 1.1289 1.3842 1.4036 1.8016 1.8408 1.8864 1.8905 2.1434 2.1826 2.4512 2.4761 2.9091 2.9300 2.9405 3.0054 3.0705 3.1249 3.2099 3.2333 3.4281 3.4342 4.2739 4.2867 4.3217 4.3615 4.4302 4.4615 4.5477 4.5629 4.8473 4.8858 5.0092 5.0246 5.1515 5.1679 5.2864 5.3351 5.3682 5.3788 5.6367 5.6777 6.4464 6.4615 6.4736 6.5059 6.7049 6.7174 6.8506 6.8718 7.1825 7.1890 9.2121 9.2400 9.6554 9.6698 9.8368 9.8475 11.2042 11.2154 k = 0.0924 0.5544 0.3968 ( 6006 PWs) bands (ev): -7.7661 -7.7659 -7.0720 -7.0716 -6.8207 -6.8177 -6.6938 -6.6900 -1.3313 -1.3276 1.1212 1.1286 1.3726 1.3887 1.8144 1.8550 1.8860 1.8957 2.1602 2.2009 2.4220 2.4494 2.9181 2.9403 2.9434 3.0023 3.0663 3.1143 3.2042 3.2264 3.4290 3.4344 4.2785 4.2891 4.3194 4.3534 4.4324 4.4589 4.5498 4.5627 4.8522 4.8835 5.0107 5.0240 5.1536 5.1683 5.3029 5.3418 5.3752 5.3864 5.6219 5.6607 6.4553 6.4705 6.4796 6.5076 6.7107 6.7232 6.8412 6.8600 7.1689 7.1751 9.2301 9.2547 9.6880 9.6987 9.8372 9.8506 11.2080 11.2208 k = 0.0739 0.5491 0.4033 ( 6004 PWs) bands (ev): -7.7690 -7.7689 -7.0745 -7.0742 -6.8047 -6.8016 -6.7025 -6.6987 -1.3347 -1.3317 1.1226 1.1286 1.3630 1.3759 1.8261 1.8671 1.8849 1.9004 2.1775 2.2184 2.3947 2.4239 2.9257 2.9431 2.9533 2.9998 3.0619 3.1034 3.2006 3.2202 3.4299 3.4344 4.2835 4.2918 4.3170 4.3451 4.4347 4.4563 4.5517 4.5621 4.8568 4.8814 5.0122 5.0231 5.1560 5.1684 5.3175 5.3452 5.3827 5.3980 5.6076 5.6433 6.4632 6.4772 6.4864 6.5091 6.7170 6.7291 6.8322 6.8483 7.1567 7.1622 9.2465 9.2669 9.7194 9.7265 9.8373 9.8532 11.2107 11.2254 k = 0.0554 0.5438 0.4098 ( 6010 PWs) bands (ev): -7.7714 -7.7713 -7.0765 -7.0763 -6.7892 -6.7860 -6.7120 -6.7083 -1.3373 -1.3350 1.1241 1.1285 1.3557 1.3654 1.8366 1.8739 1.8861 1.9038 2.1953 2.2344 2.3704 2.4000 2.9316 2.9449 2.9633 2.9981 3.0582 3.0924 3.1989 3.2148 3.4308 3.4342 4.2890 4.2945 4.3146 4.3368 4.4372 4.4535 4.5534 4.5612 4.8610 4.8792 5.0136 5.0219 5.1583 5.1680 5.3291 5.3466 5.3918 5.4101 5.5952 5.6260 6.4700 6.4813 6.4937 6.5102 6.7236 6.7344 6.8240 6.8372 7.1465 7.1510 9.2606 9.2763 9.7459 9.7520 9.8377 9.8550 11.2141 11.2304 k = 0.0370 0.5386 0.4162 ( 6000 PWs) bands (ev): -7.7731 -7.7730 -7.0780 -7.0779 -6.7745 -6.7713 -6.7224 -6.7188 -1.3391 -1.3376 1.1255 1.1285 1.3508 1.3573 1.8460 1.8726 1.8924 1.9056 2.2133 2.2466 2.3514 2.3781 2.9361 2.9456 2.9726 2.9965 3.0566 3.0818 3.1989 3.2100 3.4316 3.4339 4.2947 4.2974 4.3124 4.3286 4.4398 4.4508 4.5549 4.5602 4.8649 4.8769 5.0150 5.0206 5.1606 5.1672 5.3370 5.3469 5.4026 5.4195 5.5864 5.6099 6.4754 6.4833 6.5004 6.5109 6.7301 6.7386 6.8176 6.8273 7.1390 7.1422 9.2719 9.2826 9.7657 9.7726 9.8394 9.8553 11.2191 11.2356 k = 0.0185 0.5333 0.4227 ( 6003 PWs) bands (ev): -7.7741 -7.7741 -7.0789 -7.0788 -6.7608 -6.7576 -6.7334 -6.7301 -1.3401 -1.3393 1.1267 1.1281 1.3485 1.3518 1.8544 1.8679 1.8987 1.9055 2.2304 2.2509 2.3421 2.3592 2.9397 2.9448 2.9810 2.9934 3.0584 3.0720 3.2003 3.2060 3.4323 3.4334 4.2992 4.3003 4.3115 4.3209 4.4424 4.4479 4.5564 4.5590 4.8684 4.8743 5.0164 5.0192 5.1626 5.1660 5.3420 5.3464 5.4133 5.4235 5.5831 5.5961 6.4795 6.4835 6.5055 6.5106 6.7357 6.7406 6.8142 6.8195 7.1347 7.1364 9.2800 9.2854 9.7791 9.7842 9.8435 9.8534 11.2263 11.2381 k = 0.0000 0.5280 0.4292 ( 6010 PWs) bands (ev): -7.7744 -7.7744 -7.0792 -7.0792 -6.7500 -6.7500 -6.7400 -6.7400 -1.3402 -1.3402 1.1276 1.1276 1.3488 1.3488 1.8617 1.8617 1.9032 1.9032 2.2445 2.2445 2.3457 2.3457 2.9427 2.9427 2.9882 2.9882 3.0638 3.0638 3.2026 3.2026 3.4329 3.4329 4.3012 4.3012 4.3145 4.3145 4.4451 4.4451 4.5577 4.5577 4.8715 4.8715 5.0178 5.0178 5.1645 5.1645 5.3448 5.3448 5.4211 5.4211 5.5866 5.5866 6.4822 6.4822 6.5089 6.5089 6.7396 6.7396 6.8148 6.8148 7.1338 7.1338 9.2845 9.2845 9.7858 9.7858 9.8490 9.8490 11.2342 11.2342 k = 0.0000 0.5280 0.4292 ( 6010 PWs) bands (ev): -7.7744 -7.7744 -7.0792 -7.0792 -6.7500 -6.7500 -6.7400 -6.7400 -1.3402 -1.3402 1.1276 1.1276 1.3488 1.3488 1.8617 1.8617 1.9032 1.9032 2.2445 2.2445 2.3457 2.3457 2.9427 2.9427 2.9882 2.9882 3.0638 3.0638 3.2026 3.2026 3.4329 3.4329 4.3012 4.3012 4.3145 4.3145 4.4451 4.4451 4.5577 4.5577 4.8715 4.8715 5.0178 5.0178 5.1645 5.1645 5.3448 5.3448 5.4211 5.4211 5.5866 5.5866 6.4822 6.4822 6.5089 6.5089 6.7396 6.7396 6.8148 6.8148 7.1338 7.1338 9.2845 9.2845 9.7858 9.7858 9.8490 9.8490 11.2342 11.2342 k = 0.0086 0.5160 0.4440 ( 5998 PWs) bands (ev): -7.7741 -7.7740 -7.0789 -7.0788 -6.7503 -6.7502 -6.7405 -6.7404 -1.3407 -1.3403 1.1263 1.1272 1.3446 1.3465 1.8403 1.8414 1.9148 1.9285 2.2443 2.2462 2.3449 2.3586 2.9426 2.9433 2.9860 2.9903 3.0630 3.0647 3.2009 3.2044 3.4327 3.4328 4.2984 4.3039 4.3100 4.3201 4.4439 4.4470 4.5563 4.5594 4.8690 4.8742 5.0165 5.0175 5.1569 5.1709 5.3425 5.3467 5.4177 5.4301 5.5861 5.5895 6.4733 6.4866 6.5051 6.5187 6.7402 6.7404 6.8151 6.8160 7.1320 7.1339 9.2785 9.2835 9.7870 9.7873 9.8472 9.8512 11.2297 11.2301 k = 0.0172 0.5040 0.4588 ( 6004 PWs) bands (ev): -7.7729 -7.7729 -7.0781 -7.0780 -6.7509 -6.7507 -6.7418 -6.7417 -1.3420 -1.3410 1.1234 1.1252 1.3341 1.3376 1.8029 1.8062 1.9407 1.9612 2.2456 2.2495 2.3557 2.3822 2.9429 2.9444 2.9838 2.9924 3.0623 3.0657 3.1989 3.2060 3.4322 3.4324 4.2958 4.3026 4.3103 4.3263 4.4431 4.4492 4.5549 4.5612 4.8666 4.8771 5.0132 5.0158 5.1494 5.1751 5.3396 5.3477 5.4205 5.4437 5.5880 5.5946 6.4640 6.4815 6.5122 6.5301 6.7421 6.7426 6.8169 6.8187 7.1283 7.1321 9.2656 9.2757 9.7909 9.7914 9.8458 9.8537 11.2159 11.2169 k = 0.0259 0.4919 0.4736 ( 6000 PWs) bands (ev): -7.7711 -7.7710 -7.0767 -7.0765 -6.7519 -6.7516 -6.7440 -6.7439 -1.3438 -1.3424 1.1189 1.1215 1.3180 1.3229 1.7602 1.7672 1.9683 1.9941 2.2489 2.2550 2.3765 2.4141 2.9437 2.9460 2.9815 2.9944 3.0618 3.0668 3.1970 3.2076 3.4315 3.4316 4.2938 4.2985 4.3143 4.3328 4.4428 4.4520 4.5536 4.5634 4.8642 4.8803 5.0074 5.0129 5.1435 5.1773 5.3362 5.3477 5.4298 5.4611 5.5922 5.6016 6.4553 6.4740 6.5234 6.5422 6.7454 6.7465 6.8201 6.8228 7.1229 7.1286 9.2468 9.2616 9.7970 9.7978 9.8449 9.8565 11.1926 11.1944 k = 0.0345 0.4799 0.4884 ( 6004 PWs) bands (ev): -7.7684 -7.7684 -7.0748 -7.0745 -6.7533 -6.7530 -6.7470 -6.7468 -1.3462 -1.3443 1.1128 1.1162 1.2972 1.3031 1.7151 1.7248 1.9969 2.0268 2.2543 2.2628 2.4049 2.4522 2.9449 2.9479 2.9793 2.9965 3.0613 3.0680 3.1950 3.2092 3.4305 3.4305 4.2923 4.2945 4.3191 4.3396 4.4430 4.4552 4.5524 4.5657 4.8618 4.8839 4.9989 5.0088 5.1403 5.1779 5.3320 5.3466 5.4451 5.4816 5.5984 5.6102 6.4472 6.4668 6.5357 6.5545 6.7503 6.7525 6.8248 6.8285 7.1156 7.1233 9.2228 9.2423 9.8051 9.8061 9.8444 9.8596 11.1599 11.1628 k = 0.0431 0.4679 0.5032 ( 6006 PWs) bands (ev): -7.7651 -7.7650 -7.0724 -7.0720 -6.7552 -6.7549 -6.7506 -6.7505 -1.3492 -1.3469 1.1052 1.1093 1.2728 1.2792 1.6686 1.6798 2.0266 2.0597 2.2619 2.2732 2.4388 2.4943 2.9466 2.9500 2.9773 2.9985 3.0609 3.0693 3.1930 3.2108 3.4291 3.4292 4.2909 4.2913 4.3244 4.3468 4.4436 4.4587 4.5513 4.5684 4.8594 4.8878 4.9881 5.0032 5.1402 5.1782 5.3273 5.3443 5.4655 5.5044 5.6063 5.6200 6.4400 6.4606 6.5484 6.5667 6.7570 6.7607 6.8309 6.8356 7.1065 7.1162 9.1950 9.2189 9.8148 9.8159 9.8442 9.8629 11.1185 11.1228 k = 0.0517 0.4558 0.5180 ( 6002 PWs) bands (ev): -7.7611 -7.7610 -7.0694 -7.0690 -6.7579 -6.7578 -6.7545 -6.7544 -1.3526 -1.3499 1.0961 1.1008 1.2457 1.2523 1.6211 1.6331 2.0572 2.0928 2.2716 2.2858 2.4762 2.5390 2.9487 2.9521 2.9756 3.0005 3.0607 3.0707 3.1910 3.2125 3.4273 3.4278 4.2878 4.2907 4.3301 4.3543 4.4446 4.4625 4.5502 4.5713 4.8570 4.8916 4.9759 4.9962 5.1431 5.1791 5.3223 5.3411 5.4898 5.5290 5.6156 5.6305 6.4337 6.4557 6.5611 6.5786 6.7659 6.7716 6.8383 6.8441 7.0955 7.1073 9.1643 9.1925 9.8256 9.8268 9.8445 9.8662 11.0693 11.0750 k = 0.0603 0.4438 0.5328 ( 6004 PWs) bands (ev): -7.7564 -7.7562 -7.0659 -7.0654 -6.7625 -6.7623 -6.7581 -6.7576 -1.3565 -1.3534 1.0856 1.0908 1.2168 1.2233 1.5732 1.5853 2.0887 2.1260 2.2833 2.3005 2.5158 2.5849 2.9511 2.9540 2.9747 3.0025 3.0607 3.0722 3.1892 3.2143 3.4251 3.4261 4.2851 4.2907 4.3362 4.3620 4.4459 4.4664 4.5491 4.5743 4.8547 4.8946 4.9636 4.9877 5.1485 5.1813 5.3172 5.3371 5.5170 5.5546 5.6259 5.6414 6.4284 6.4522 6.5737 6.5900 6.7773 6.7855 6.8471 6.8541 7.0826 7.0967 9.1319 9.1640 9.8370 9.8385 9.8454 9.8697 11.0133 11.0206 k = 0.0690 0.4318 0.5476 ( 6008 PWs) bands (ev): -7.7511 -7.7509 -7.0618 -7.0613 -6.7685 -6.7682 -6.7612 -6.7606 -1.3607 -1.3574 1.0737 1.0794 1.1867 1.1929 1.5253 1.5370 2.1206 2.1592 2.2970 2.3171 2.5563 2.6311 2.9539 2.9550 2.9748 3.0046 3.0607 3.0738 3.1876 3.2163 3.4225 3.4241 4.2830 4.2910 4.3425 4.3701 4.4475 4.4705 4.5481 4.5775 4.8524 4.8952 4.9534 4.9781 5.1560 5.1850 5.3121 5.3326 5.5462 5.5806 5.6371 5.6523 6.4242 6.4501 6.5860 6.6010 6.7915 6.8023 6.8570 6.8656 7.0679 7.0845 9.0987 9.1345 9.8446 9.8506 9.8511 9.8733 10.9519 10.9607 k = 0.0776 0.4197 0.5624 ( 6006 PWs) bands (ev): -7.7451 -7.7449 -7.0573 -7.0567 -6.7753 -6.7750 -6.7644 -6.7637 -1.3653 -1.3617 1.0606 1.0665 1.1563 1.1619 1.4777 1.4888 2.1527 2.1922 2.3124 2.3355 2.5968 2.6766 2.9551 2.9570 2.9763 3.0067 3.0609 3.0754 3.1863 3.2187 3.4196 3.4219 4.2814 4.2918 4.3491 4.3783 4.4495 4.4746 4.5473 4.5807 4.8500 4.8911 4.9481 4.9678 5.1652 5.1905 5.3072 5.3277 5.5769 5.6054 5.6499 5.6628 6.4211 6.4495 6.5979 6.6115 6.8084 6.8221 6.8680 6.8783 7.0515 7.0708 9.0654 9.1046 9.8460 9.8623 9.8637 9.8774 10.8862 10.8963 k = 0.0862 0.4077 0.5772 ( 6000 PWs) bands (ev): -7.7386 -7.7384 -7.0523 -7.0517 -6.7829 -6.7825 -6.7679 -6.7672 -1.3701 -1.3662 1.0463 1.0523 1.1260 1.1308 1.4306 1.4409 2.1848 2.2249 2.3295 2.3554 2.6365 2.7208 2.9543 2.9604 2.9791 3.0089 3.0612 3.0771 3.1855 3.2215 3.4163 3.4195 4.2805 4.2930 4.3559 4.3867 4.4518 4.4786 4.5469 4.5839 4.8473 4.8816 4.9484 4.9573 5.1758 5.1975 5.3027 5.3228 5.6084 5.6265 5.6662 5.6726 6.4193 6.4504 6.6096 6.6219 6.8281 6.8446 6.8797 6.8925 7.0334 7.0562 9.0325 9.0748 9.8469 9.8713 9.8772 9.8841 10.8175 10.8288 k = 0.0948 0.3957 0.5920 ( 6006 PWs) bands (ev): -7.7317 -7.7314 -7.0469 -7.0462 -6.7910 -6.7906 -6.7718 -6.7709 -1.3750 -1.3710 1.0308 1.0367 1.0965 1.1004 1.3844 1.3938 2.2166 2.2570 2.3480 2.3766 2.6748 2.7630 2.9530 2.9642 2.9827 3.0111 3.0617 3.0787 3.1854 3.2248 3.4126 3.4168 4.2800 4.2945 4.3628 4.3949 4.4545 4.4824 4.5468 4.5869 4.8439 4.8685 4.9472 4.9526 5.1874 5.2057 5.2986 5.3180 5.6400 5.6413 5.6817 5.6878 6.4186 6.4525 6.6215 6.6326 6.8502 6.8688 6.8919 6.9078 7.0141 7.0413 9.0006 9.0455 9.8476 9.8756 9.8912 9.8953 10.7471 10.7593 k = 0.1034 0.3837 0.6068 ( 5996 PWs) bands (ev): -7.7242 -7.7240 -7.0411 -7.0403 -6.7997 -6.7992 -6.7760 -6.7750 -1.3800 -1.3759 1.0143 1.0196 1.0684 1.0711 1.3393 1.3476 2.2478 2.2885 2.3678 2.3987 2.7112 2.8025 2.9515 2.9684 2.9868 3.0134 3.0623 3.0805 3.1862 3.2288 3.4085 3.4138 4.2801 4.2963 4.3696 4.4029 4.4579 4.4860 4.5474 4.5898 4.8394 4.8537 4.9382 4.9587 5.1998 5.2151 5.2954 5.3137 5.6510 5.6696 5.6917 5.7134 6.4192 6.4556 6.6340 6.6439 6.8740 6.8919 6.9061 6.9241 6.9942 7.0274 8.9699 9.0171 9.8478 9.8771 9.9054 9.9083 10.6760 10.6887 k = 0.1121 0.3716 0.6216 ( 5994 PWs) bands (ev): -7.7164 -7.7162 -7.0348 -7.0340 -6.8087 -6.8083 -6.7805 -6.7795 -1.3851 -1.3808 0.9965 1.0011 1.0423 1.0434 1.2953 1.3027 2.2784 2.3191 2.3885 2.4215 2.7453 2.8386 2.9502 2.9730 2.9912 3.0158 3.0631 3.0821 3.1882 3.2335 3.4041 3.4105 4.2809 4.2984 4.3763 4.4101 4.4621 4.4893 4.5487 4.5925 4.8333 4.8383 4.9307 4.9652 5.2128 5.2252 5.2931 5.3102 5.6572 5.6874 5.7118 5.7407 6.4208 6.4596 6.6475 6.6561 6.8977 6.9042 6.9290 6.9408 6.9759 7.0171 8.9406 8.9896 9.8473 9.8768 9.9197 9.9219 10.6053 10.6183 k = 0.1207 0.3596 0.6364 ( 5982 PWs) bands (ev): -7.7083 -7.7080 -7.0282 -7.0273 -6.8182 -6.8177 -6.7853 -6.7843 -1.3901 -1.3858 0.9776 0.9810 1.0180 1.0185 1.2528 1.2592 2.3081 2.3488 2.4100 2.4447 2.7768 2.8707 2.9491 2.9781 2.9958 3.0182 3.0640 3.0837 3.1916 3.2391 3.3993 3.4069 4.2822 4.3008 4.3827 4.4162 4.4677 4.4925 4.5508 4.5950 4.8229 4.8255 4.9249 4.9712 5.2261 5.2359 5.2919 5.3077 5.6610 5.6937 5.7412 5.7685 6.4235 6.4639 6.6627 6.6697 6.9054 6.9138 6.9532 6.9569 6.9708 7.0140 8.9128 8.9631 9.8459 9.8748 9.9340 9.9357 10.5362 10.5489 k = 0.1293 0.3476 0.6512 ( 5978 PWs) bands (ev): -7.6999 -7.6997 -7.0212 -7.0203 -6.8278 -6.8273 -6.7905 -6.7894 -1.3950 -1.3907 0.9576 0.9600 0.9949 0.9971 1.2118 1.2172 2.3368 2.3774 2.4319 2.4678 2.8054 2.8982 2.9485 2.9838 3.0003 3.0206 3.0651 3.0852 3.1969 3.2456 3.3942 3.4030 4.2841 4.3034 4.3884 4.4206 4.4747 4.4957 4.5538 4.5975 4.8077 4.8158 4.9207 4.9761 5.2397 5.2468 5.2921 5.3067 5.6630 5.6965 5.7716 5.7959 6.4269 6.4683 6.6798 6.6848 6.8977 6.9062 6.9693 6.9839 6.9872 7.0208 8.8865 8.9375 9.8431 9.8707 9.9482 9.9493 10.4697 10.4816 k = 0.1379 0.3355 0.6660 ( 5978 PWs) bands (ev): -7.6915 -7.6912 -7.0139 -7.0130 -6.8376 -6.8371 -6.7960 -6.7948 -1.3997 -1.3955 0.9371 0.9387 0.9742 0.9776 1.1725 1.1770 2.3645 2.4048 2.4539 2.4905 2.8311 2.9207 2.9484 2.9898 3.0049 3.0232 3.0664 3.0866 3.2042 3.2529 3.3887 3.3987 4.2866 4.3062 4.3933 4.4234 4.4833 4.4991 4.5575 4.5998 4.7930 4.8046 4.9174 4.9794 5.2533 5.2578 5.2940 5.3073 5.6634 5.6973 5.8014 5.8226 6.4308 6.4724 6.6991 6.7015 6.8834 6.8859 6.9927 7.0079 7.0102 7.0373 8.8615 8.9127 9.8386 9.8641 9.9621 9.9627 10.4068 10.4174 k = 0.1466 0.3235 0.6808 ( 5976 PWs) bands (ev): -7.6829 -7.6826 -7.0064 -7.0053 -6.8474 -6.8469 -6.8017 -6.8006 -1.4042 -1.4001 0.9169 0.9180 0.9554 0.9595 1.1351 1.1388 2.3909 2.4309 2.4758 2.5126 2.8540 2.9384 2.9490 2.9960 3.0093 3.0259 3.0678 3.0878 3.2136 3.2609 3.3830 3.3941 4.2896 4.3093 4.3971 4.4245 4.4931 4.5031 4.5619 4.6022 4.7787 4.7924 4.9148 4.9808 5.2667 5.2685 5.2976 5.3097 5.6624 5.6965 5.8300 5.8482 6.4351 6.4760 6.7195 6.7206 6.8629 6.8658 7.0162 7.0304 7.0342 7.0608 8.8380 8.8886 9.8320 9.8547 9.9757 9.9757 10.3486 10.3573 k = 0.1552 0.3115 0.6956 ( 5976 PWs) bands (ev): -7.6744 -7.6742 -6.9986 -6.9975 -6.8571 -6.8567 -6.8078 -6.8066 -1.4085 -1.4046 0.8976 0.8986 0.9381 0.9425 1.0996 1.1025 2.4161 2.4555 2.4972 2.5336 2.8740 2.9503 2.9517 3.0016 3.0135 3.0289 3.0694 3.0888 3.2248 3.2695 3.3770 3.3891 4.2933 4.3125 4.3996 4.4242 4.5039 4.5079 4.5669 4.6048 4.7650 4.7794 4.9121 4.9799 5.2788 5.2798 5.3031 5.3138 5.6604 5.6942 5.8570 5.8725 6.4396 6.4789 6.7380 6.7437 6.8401 6.8479 7.0387 7.0508 7.0600 7.0867 8.8157 8.8652 9.8228 9.8421 9.9882 9.9886 10.2958 10.3022 k = 0.1638 0.2994 0.7104 ( 5980 PWs) bands (ev): -7.6661 -7.6658 -6.9906 -6.9895 -6.8667 -6.8662 -6.8142 -6.8129 -1.4124 -1.4087 0.8799 0.8809 0.9221 0.9265 1.0663 1.0685 2.4399 2.4783 2.5179 2.5533 2.8913 2.9525 2.9616 3.0062 3.0175 3.0319 3.0712 3.0897 3.2375 3.2785 3.3709 3.3838 4.2975 4.3160 4.4007 4.4226 4.5138 4.5154 4.5723 4.6074 4.7520 4.7661 4.9092 4.9768 5.2887 5.2925 5.3101 5.3195 5.6575 5.6906 5.8823 5.8953 6.4441 6.4812 6.7541 6.7661 6.8205 6.8338 7.0605 7.0709 7.0855 7.1121 8.7947 8.8425 9.8109 9.8262 10.0000 10.0009 10.2492 10.2529 k = 0.1724 0.2874 0.7252 ( 5980 PWs) bands (ev): -7.6580 -7.6578 -6.9824 -6.9813 -6.8758 -6.8754 -6.8207 -6.8195 -1.4161 -1.4126 0.8639 0.8650 0.9072 0.9115 1.0351 1.0367 2.4621 2.4993 2.5377 2.5715 2.9062 2.9554 2.9688 3.0098 3.0214 3.0349 3.0732 3.0904 3.2509 3.2876 3.3647 3.3781 4.3023 4.3197 4.4004 4.4199 4.5209 4.5272 4.5781 4.6101 4.7395 4.7527 4.9060 4.9718 5.2983 5.3046 5.3183 5.3264 5.6540 5.6861 5.9055 5.9162 6.4485 6.4828 6.7609 6.7751 6.8168 6.8308 7.0816 7.0906 7.1092 7.1357 8.7751 8.8204 9.7961 9.8073 10.0111 10.0124 10.2090 10.2100 k = 0.1810 0.2754 0.7400 ( 5980 PWs) bands (ev): -7.6504 -7.6502 -6.9742 -6.9730 -6.8845 -6.8841 -6.8275 -6.8263 -1.4194 -1.4162 0.8501 0.8513 0.8935 0.8975 1.0064 1.0075 2.4828 2.5182 2.5563 2.5878 2.9190 2.9593 2.9739 3.0125 3.0251 3.0376 3.0752 3.0909 3.2645 3.2965 3.3585 3.3723 4.3076 4.3236 4.3988 4.4162 4.5290 4.5392 4.5840 4.6129 4.7276 4.7393 4.9025 4.9651 5.3078 5.3161 5.3269 5.3341 5.6502 5.6808 5.9266 5.9352 6.4526 6.4838 6.7541 6.7620 6.8378 6.8436 7.1020 7.1098 7.1306 7.1565 8.7568 8.7991 9.7788 9.7862 10.0213 10.0229 10.1736 10.1752 k = 0.1897 0.2634 0.7548 ( 5978 PWs) bands (ev): -7.6432 -7.6430 -6.9659 -6.9647 -6.8926 -6.8922 -6.8345 -6.8332 -1.4223 -1.4194 0.8385 0.8399 0.8809 0.8845 0.9803 0.9808 2.5018 2.5348 2.5735 2.6023 2.9296 2.9642 2.9771 3.0145 3.0286 3.0401 3.0773 3.0913 3.2778 3.3049 3.3526 3.3664 4.3134 4.3277 4.3961 4.4116 4.5381 4.5511 4.5900 4.6156 4.7162 4.7260 4.8990 4.9570 5.3173 5.3268 5.3356 5.3420 5.6464 5.6749 5.9453 5.9522 6.4566 6.4842 6.7405 6.7443 6.8654 6.8655 7.1213 7.1281 7.1490 7.1740 8.7402 8.7787 9.7598 9.7637 10.0306 10.0324 10.1437 10.1473 k = 0.1983 0.2513 0.7696 ( 5974 PWs) bands (ev): -7.6367 -7.6365 -6.9576 -6.9565 -6.8999 -6.8996 -6.8415 -6.8403 -1.4248 -1.4223 0.8293 0.8307 0.8695 0.8726 0.9568 0.9570 2.5189 2.5490 2.5891 2.6146 2.9384 2.9699 2.9787 3.0159 3.0319 3.0422 3.0795 3.0916 3.2901 3.3125 3.3471 3.3605 4.3197 4.3321 4.3926 4.4063 4.5480 4.5628 4.5959 4.6181 4.7054 4.7130 4.8957 4.9480 5.3267 5.3366 5.3439 5.3497 5.6428 5.6687 5.9616 5.9669 6.4602 6.4841 6.7257 6.7274 6.8903 6.8941 7.1391 7.1449 7.1642 7.1879 8.7253 8.7596 9.7400 9.7413 10.0390 10.0408 10.1197 10.1246 k = 0.2069 0.2393 0.7844 ( 5980 PWs) bands (ev): -7.6310 -7.6308 -6.9495 -6.9484 -6.9064 -6.9061 -6.8486 -6.8473 -1.4269 -1.4248 0.8224 0.8238 0.8592 0.8618 0.9363 0.9363 2.5341 2.5605 2.6030 2.6248 2.9456 2.9762 2.9789 3.0166 3.0351 3.0440 3.0816 3.0917 3.3011 3.3189 3.3422 3.3548 4.3264 4.3366 4.3884 4.4003 4.5585 4.5741 4.6016 4.6203 4.6951 4.7003 4.8929 4.9385 5.3356 5.3452 5.3514 5.3566 5.6396 5.6625 5.9754 5.9794 6.4636 6.4837 6.7117 6.7123 6.9157 6.9217 7.1549 7.1598 7.1762 7.1981 8.7125 8.7420 9.7203 9.7207 10.0462 10.0480 10.1009 10.1063 k = 0.2155 0.2273 0.7992 ( 5984 PWs) bands (ev): -7.6261 -7.6260 -6.9417 -6.9406 -6.9119 -6.9116 -6.8554 -6.8542 -1.4286 -1.4269 0.8178 0.8193 0.8500 0.8520 0.9188 0.9191 2.5473 2.5694 2.6150 2.6328 2.9515 2.9780 2.9831 3.0166 3.0380 3.0455 3.0838 3.0917 3.3106 3.3241 3.3382 3.3495 4.3334 4.3414 4.3836 4.3937 4.5692 4.5847 4.6070 4.6219 4.6853 4.6882 4.8911 4.9290 5.3439 5.3524 5.3581 5.3626 5.6371 5.6563 5.9867 5.9895 6.4667 6.4828 6.6995 6.6996 6.9400 6.9470 7.1683 7.1724 7.1855 7.2046 8.7021 8.7263 9.7017 9.7031 10.0523 10.0539 10.0866 10.0919 k = 0.2241 0.2152 0.8140 ( 5982 PWs) bands (ev): -7.6222 -7.6221 -6.9345 -6.9335 -6.9162 -6.9160 -6.8618 -6.8608 -1.4299 -1.4286 0.8156 0.8170 0.8418 0.8431 0.9050 0.9053 2.5584 2.5756 2.6251 2.6386 2.9564 2.9763 2.9898 3.0156 3.0407 3.0466 3.0857 3.0916 3.3183 3.3276 3.3355 3.3450 4.3408 4.3464 4.3785 4.3867 4.5799 4.5943 4.6118 4.6228 4.6762 4.6770 4.8906 4.9199 5.3511 5.3580 5.3636 5.3673 5.6356 5.6506 5.9954 5.9974 6.4695 6.4817 6.6896 6.6898 6.9616 6.9685 7.1785 7.1821 7.1928 7.2080 8.6944 8.7128 9.6865 9.6881 10.0571 10.0584 10.0764 10.0808 k = 0.2328 0.2032 0.8288 ( 5978 PWs) bands (ev): -7.6193 -7.6192 -6.9283 -6.9275 -6.9194 -6.9193 -6.8674 -6.8665 -1.4307 -1.4298 0.8156 0.8167 0.8346 0.8353 0.8950 0.8952 2.5672 2.5790 2.6330 2.6421 2.9607 2.9739 2.9962 3.0137 3.0431 3.0472 3.0875 3.0913 3.3237 3.3293 3.3344 3.3416 4.3483 4.3516 4.3732 4.3793 4.5901 4.6020 4.6160 4.6228 4.6674 4.6682 4.8915 4.9116 5.3570 5.3618 5.3678 5.3705 5.6352 5.6455 6.0017 6.0029 6.4721 6.4802 6.6824 6.6826 6.9793 6.9849 7.1852 7.1885 7.1989 7.2091 8.6895 8.7020 9.6754 9.6768 10.0606 10.0614 10.0697 10.0729 k = 0.2414 0.1912 0.8436 ( 5968 PWs) bands (ev): -7.6176 -7.6175 -6.9238 -6.9234 -6.9213 -6.9212 -6.8712 -6.8707 -1.4311 -1.4307 0.8174 0.8182 0.8287 0.8288 0.8889 0.8891 2.5739 2.5798 2.6388 2.6433 2.9645 2.9711 3.0019 3.0107 3.0450 3.0471 3.0889 3.0908 3.3267 3.3292 3.3353 3.3392 4.3561 4.3569 4.3678 4.3717 4.5991 4.6063 4.6193 4.6222 4.6609 4.6619 4.8942 4.9043 5.3612 5.3637 5.3707 5.3721 5.6359 5.6412 6.0055 6.0061 6.4745 6.4786 6.6781 6.6782 6.9914 6.9946 7.1892 7.1915 7.2038 7.2086 8.6878 8.6941 9.6687 9.6695 10.0625 10.0627 10.0667 10.0681 k = 0.2500 0.1791 0.8584 ( 5960 PWs) bands (ev): -7.6170 -7.6170 -6.9224 -6.9223 -6.9216 -6.9216 -6.8725 -6.8725 -1.4311 -1.4311 0.8195 0.8195 0.8255 0.8255 0.8869 0.8870 2.5781 2.5781 2.6422 2.6422 2.9680 2.9680 3.0068 3.0068 3.0464 3.0464 3.0900 3.0900 3.3282 3.3283 3.3372 3.3372 4.3622 4.3622 4.3641 4.3641 4.6051 4.6052 4.6213 4.6213 4.6589 4.6589 4.8985 4.8985 5.3635 5.3635 5.3722 5.3722 5.6380 5.6380 6.0070 6.0070 6.4767 6.4767 6.6767 6.6767 6.9968 6.9968 7.1914 7.1914 7.2070 7.2070 8.6894 8.6894 9.6668 9.6668 10.0628 10.0628 10.0665 10.0665 k = 0.2500 0.1791 0.8584 ( 5960 PWs) bands (ev): -7.6170 -7.6170 -6.9224 -6.9223 -6.9216 -6.9216 -6.8725 -6.8725 -1.4311 -1.4311 0.8195 0.8195 0.8255 0.8255 0.8869 0.8870 2.5781 2.5781 2.6422 2.6422 2.9680 2.9680 3.0068 3.0068 3.0464 3.0464 3.0900 3.0900 3.3282 3.3283 3.3372 3.3372 4.3622 4.3622 4.3641 4.3641 4.6051 4.6052 4.6213 4.6213 4.6589 4.6589 4.8985 4.8985 5.3635 5.3635 5.3722 5.3722 5.6380 5.6380 6.0070 6.0070 6.4767 6.4767 6.6767 6.6767 6.9968 6.9968 7.1914 7.1914 7.2070 7.2070 8.6894 8.6894 9.6668 9.6668 10.0628 10.0628 10.0665 10.0665 k = 0.2639 0.1891 0.8462 ( 5972 PWs) bands (ev): -7.6172 -7.6171 -6.9235 -6.9234 -6.9209 -6.9207 -6.8721 -6.8718 -1.4312 -1.4310 0.7968 0.7968 0.8376 0.8382 0.9005 0.9008 2.5607 2.5636 2.6542 2.6558 2.9559 2.9591 3.0138 3.0176 3.0462 3.0473 3.0901 3.0910 3.3274 3.3291 3.3361 3.3384 4.3584 4.3615 4.3626 4.3699 4.6002 4.6055 4.6206 4.6230 4.6596 4.6605 4.8956 4.9019 5.3413 5.3427 5.3939 5.3948 5.6365 5.6394 6.0068 6.0071 6.4744 6.4768 6.6792 6.6792 6.9944 6.9964 7.1895 7.1898 7.2077 7.2093 8.6853 8.6889 9.6690 9.6694 9.9858 9.9865 10.1427 10.1430 k = 0.2778 0.1991 0.8339 ( 5980 PWs) bands (ev): -7.6177 -7.6176 -6.9244 -6.9242 -6.9211 -6.9207 -6.8708 -6.8703 -1.4312 -1.4308 0.7675 0.7678 0.8450 0.8462 0.9316 0.9324 2.5278 2.5323 2.6774 2.6782 2.9348 2.9402 3.0278 3.0316 3.0485 3.0496 3.0918 3.0929 3.3262 3.3301 3.3350 3.3399 4.3536 4.3601 4.3626 4.3762 4.5929 4.6024 4.6201 4.6239 4.6622 4.6644 4.8931 4.9064 5.3160 5.3182 5.4203 5.4220 5.6347 5.6402 6.0065 6.0070 6.4704 6.4749 6.6866 6.6869 6.9894 6.9933 7.1878 7.1880 7.2087 7.2110 8.6765 8.6833 9.6756 9.6762 9.9089 9.9100 10.2196 10.2199 k = 0.2917 0.2090 0.8217 ( 5978 PWs) bands (ev): -7.6184 -7.6184 -6.9251 -6.9248 -6.9219 -6.9214 -6.8690 -6.8682 -1.4310 -1.4304 0.7390 0.7395 0.8510 0.8528 0.9696 0.9710 2.4893 2.4952 2.6994 2.7011 2.9118 2.9202 3.0365 3.0371 3.0563 3.0567 3.0961 3.0962 3.3249 3.3309 3.3347 3.3418 4.3486 4.3589 4.3625 4.3824 4.5849 4.5968 4.6198 4.6233 4.6656 4.6696 4.8911 4.9119 5.2915 5.2943 5.4476 5.4499 5.6325 5.6402 6.0061 6.0069 6.4653 6.4717 6.6985 6.6991 6.9823 6.9877 7.1865 7.1869 7.2086 7.2117 8.6631 8.6726 9.6836 9.6837 9.8388 9.8391 10.2936 10.2939 k = 0.3056 0.2190 0.8094 ( 5976 PWs) bands (ev): -7.6193 -7.6193 -6.9255 -6.9251 -6.9232 -6.9226 -6.8668 -6.8660 -1.4306 -1.4298 0.7127 0.7134 0.8578 0.8602 1.0111 1.0130 2.4474 2.4547 2.7166 2.7229 2.8887 2.9021 3.0372 3.0388 3.0648 3.0659 3.1009 3.1040 3.3237 3.3309 3.3360 3.3442 4.3434 4.3578 4.3623 4.3885 4.5764 4.5898 4.6194 4.6216 4.6689 4.6752 4.8896 4.9184 5.2683 5.2714 5.4748 5.4778 5.6296 5.6393 6.0057 6.0066 6.4599 6.4677 6.7142 6.7151 6.9735 6.9801 7.1859 7.1862 7.2074 7.2114 8.6453 8.6571 9.6789 9.6818 9.7863 9.7893 10.3634 10.3634 k = 0.3194 0.2289 0.7972 ( 5974 PWs) bands (ev): -7.6203 -7.6203 -6.9257 -6.9251 -6.9247 -6.9241 -6.8646 -6.8637 -1.4297 -1.4288 0.6890 0.6897 0.8656 0.8686 1.0550 1.0573 2.4031 2.4118 2.7279 2.7417 2.8667 2.8883 3.0360 3.0386 3.0696 3.0737 3.1071 3.1137 3.3226 3.3306 3.3385 3.3472 4.3382 4.3567 4.3620 4.3942 4.5678 4.5819 4.6189 4.6194 4.6716 4.6806 4.8889 4.9258 5.2465 5.2496 5.5013 5.5052 5.6257 5.6371 6.0053 6.0063 6.4549 6.4639 6.7326 6.7337 6.9635 6.9710 7.1853 7.1858 7.2050 7.2104 8.6241 8.6374 9.6407 9.6468 9.7749 9.7820 10.4273 10.4277 k = 0.3333 0.2389 0.7849 ( 5972 PWs) bands (ev): -7.6213 -7.6213 -6.9266 -6.9265 -6.9249 -6.9247 -6.8627 -6.8617 -1.4285 -1.4274 0.6682 0.6689 0.8746 0.8782 1.1005 1.1033 2.3567 2.3670 2.7317 2.7562 2.8475 2.8806 3.0342 3.0375 3.0720 3.0789 3.1133 3.1228 3.3220 3.3306 3.3418 3.3510 4.3330 4.3557 4.3616 4.3996 4.5590 4.5735 4.6168 4.6183 4.6737 4.6853 4.8889 4.9341 5.2263 5.2292 5.5263 5.5313 5.6208 5.6337 6.0049 6.0060 6.4510 6.4607 6.7529 6.7540 6.9529 6.9607 7.1841 7.1859 7.2016 7.2089 8.6003 8.6145 9.5842 9.5910 9.7928 9.8018 10.4845 10.4856 k = 0.3472 0.2488 0.7727 ( 5978 PWs) bands (ev): -7.6223 -7.6223 -6.9286 -6.9284 -6.9245 -6.9241 -6.8610 -6.8600 -1.4266 -1.4255 0.6503 0.6511 0.8846 0.8888 1.1475 1.1506 2.3088 2.3207 2.7279 2.7636 2.8343 2.8796 3.0320 3.0359 3.0734 3.0823 3.1180 3.1295 3.3218 3.3309 3.3457 3.3554 4.3277 4.3546 4.3611 4.4045 4.5503 4.5650 4.6141 4.6173 4.6749 4.6893 4.8898 4.9430 5.2077 5.2103 5.5487 5.5555 5.6151 5.6289 6.0045 6.0056 6.4487 6.4587 6.7742 6.7746 6.9420 6.9496 7.1825 7.1858 7.1977 7.2070 8.5753 8.5897 9.5264 9.5333 9.8210 9.8317 10.5343 10.5364 k = 0.3611 0.2588 0.7604 ( 5982 PWs) bands (ev): -7.6233 -7.6233 -6.9308 -6.9305 -6.9237 -6.9231 -6.8598 -6.8588 -1.4243 -1.4231 0.6355 0.6361 0.8956 0.9003 1.1955 1.1989 2.2597 2.2732 2.7183 2.7610 2.8303 2.8839 3.0295 3.0339 3.0743 3.0845 3.1203 3.1331 3.3224 3.3318 3.3502 3.3604 4.3223 4.3535 4.3604 4.4089 4.5417 4.5566 4.6112 4.6160 4.6754 4.6924 4.8917 4.9526 5.1907 5.1930 5.5667 5.5768 5.6098 5.6231 6.0042 6.0052 6.4482 6.4582 6.7943 6.7953 6.9312 6.9381 7.1807 7.1853 7.1934 7.2050 8.5506 8.5646 9.4721 9.4790 9.8539 9.8665 10.5766 10.5797 k = 0.3750 0.2687 0.7482 ( 5980 PWs) bands (ev): -7.6242 -7.6242 -6.9332 -6.9329 -6.9225 -6.9219 -6.8589 -6.8579 -1.4213 -1.4201 0.6237 0.6243 0.9072 0.9126 1.2442 1.2477 2.2098 2.2250 2.7054 2.7504 2.8337 2.8913 3.0269 3.0317 3.0749 3.0859 3.1201 3.1336 3.3235 3.3332 3.3550 3.3658 4.3170 4.3524 4.3596 4.4128 4.5334 4.5484 4.6082 4.6143 4.6753 4.6947 4.8946 4.9627 5.1754 5.1772 5.5760 5.5934 5.6086 5.6177 6.0038 6.0047 6.4497 6.4593 6.8116 6.8151 6.9209 6.9264 7.1788 7.1842 7.1891 7.2027 8.5278 8.5408 9.4228 9.4295 9.8894 9.9040 10.6116 10.6158 k = 0.3889 0.2787 0.7360 ( 5981 PWs) bands (ev): -7.6250 -7.6250 -6.9357 -6.9356 -6.9210 -6.9202 -6.8585 -6.8575 -1.4176 -1.4165 0.6150 0.6154 0.9194 0.9254 1.2932 1.2968 2.1594 2.1765 2.6914 2.7369 2.8397 2.8998 3.0240 3.0293 3.0753 3.0863 3.1179 3.1312 3.3253 3.3350 3.3599 3.3714 4.3117 4.3511 4.3587 4.4163 4.5254 4.5406 4.6051 4.6121 4.6747 4.6963 4.8985 4.9732 5.1616 5.1630 5.5729 5.5975 5.6148 5.6200 6.0035 6.0041 6.4532 6.4620 6.8251 6.8325 6.9115 6.9148 7.1771 7.1817 7.1854 7.2000 8.5087 8.5202 9.3793 9.3857 9.9262 9.9430 10.6399 10.6452 k = 0.4028 0.2886 0.7237 ( 5970 PWs) bands (ev): -7.6257 -7.6257 -6.9386 -6.9385 -6.9191 -6.9183 -6.8583 -6.8574 -1.4134 -1.4123 0.6094 0.6096 0.9321 0.9387 1.3422 1.3455 2.1090 2.1282 2.6776 2.7235 2.8453 2.9080 3.0210 3.0268 3.0756 3.0850 3.1145 3.1263 3.3275 3.3372 3.3648 3.3770 4.3065 4.3498 4.3575 4.4193 4.5178 4.5335 4.6019 4.6094 4.6739 4.6972 4.9034 4.9840 5.1493 5.1502 5.5630 5.5897 5.6228 5.6295 6.0031 6.0035 6.4585 6.4663 6.8336 6.8463 6.9033 6.9036 7.1754 7.1776 7.1826 7.1969 8.4947 8.5043 9.3419 9.3478 9.9635 9.9824 10.6619 10.6684 k = 0.4167 0.2986 0.7115 ( 5980 PWs) bands (ev): -7.6264 -7.6264 -6.9419 -6.9419 -6.9169 -6.9160 -6.8583 -6.8574 -1.4086 -1.4075 0.6068 0.6069 0.9450 0.9523 1.3905 1.3933 2.0593 2.0809 2.6649 2.7116 2.8493 2.9151 3.0179 3.0242 3.0757 3.0814 3.1114 3.1194 3.3301 3.3395 3.3695 3.3822 4.3015 4.3482 4.3561 4.4220 4.5106 4.5269 4.5985 4.6060 4.6728 4.6975 4.9091 4.9951 5.1384 5.1389 5.5500 5.5784 5.6289 5.6377 6.0024 6.0025 6.4652 6.4719 6.8365 6.8554 6.8935 6.8966 7.1722 7.1733 7.1800 7.1934 8.4872 8.4945 9.3107 9.3161 10.0003 10.0214 10.6785 10.6859 k = 0.4306 0.3085 0.6992 ( 5984 PWs) bands (ev): -7.6271 -7.6270 -6.9456 -6.9456 -6.9144 -6.9134 -6.8584 -6.8576 -1.4032 -1.4023 0.6072 0.6073 0.9580 0.9661 1.4374 1.4393 2.0109 2.0354 2.6540 2.7017 2.8509 2.9201 3.0148 3.0216 3.0750 3.0756 3.1095 3.1110 3.3330 3.3420 3.3737 3.3870 4.2967 4.3465 4.3545 4.4245 4.5040 4.5211 4.5950 4.6020 4.6716 4.6973 4.9157 5.0063 5.1287 5.1288 5.5353 5.5657 5.6320 5.6429 6.0014 6.0016 6.4731 6.4785 6.8342 6.8577 6.8862 6.8910 7.1657 7.1706 7.1771 7.1893 8.4868 8.4916 9.2859 9.2909 10.0358 10.0592 10.6899 10.6981 k = 0.4444 0.3185 0.6870 ( 5979 PWs) bands (ev): -7.6278 -7.6277 -6.9499 -6.9497 -6.9115 -6.9105 -6.8584 -6.8576 -1.3974 -1.3966 0.6106 0.6107 0.9712 0.9800 1.4819 1.4822 1.9649 1.9928 2.6450 2.6941 2.8500 2.9224 3.0117 3.0191 3.0667 3.0751 3.1020 3.1089 3.3361 3.3446 3.3775 3.3910 4.2922 4.3446 4.3527 4.4267 4.4979 4.5161 4.5913 4.5973 4.6705 4.6968 4.9230 5.0176 5.1200 5.1202 5.5195 5.5521 5.6321 5.6449 6.0000 6.0005 6.4816 6.4858 6.8280 6.8523 6.8830 6.8857 7.1577 7.1667 7.1741 7.1845 8.4936 8.4959 9.2678 9.2724 10.0694 10.0948 10.6962 10.7052 k = 0.4583 0.3284 0.6747 ( 5979 PWs) bands (ev): -7.6286 -7.6285 -6.9547 -6.9545 -6.9083 -6.9073 -6.8581 -6.8574 -1.3913 -1.3906 0.6170 0.6172 0.9844 0.9940 1.5201 1.5222 1.9230 1.9552 2.6382 2.6889 2.8460 2.9210 3.0085 3.0165 3.0578 3.0738 3.0931 3.1091 3.3394 3.3470 3.3809 3.3943 4.2881 4.3426 4.3507 4.4289 4.4923 4.5118 4.5876 4.5921 4.6694 4.6959 4.9310 5.0289 5.1124 5.1127 5.5030 5.5379 5.6293 5.6439 5.9981 5.9989 6.4903 6.4933 6.8190 6.8420 6.8798 6.8813 7.1479 7.1611 7.1710 7.1795 8.5068 8.5068 9.2567 9.2611 10.1001 10.1277 10.6975 10.7070 k = 0.4722 0.3384 0.6625 ( 5974 PWs) bands (ev): -7.6297 -7.6295 -6.9600 -6.9597 -6.9048 -6.9037 -6.8575 -6.8568 -1.3850 -1.3843 0.6264 0.6267 0.9976 1.0081 1.5503 1.5555 1.8879 1.9251 2.6335 2.6860 2.8391 2.9153 3.0054 3.0139 3.0497 3.0704 3.0860 3.1097 3.3427 3.3492 3.3838 3.3968 4.2845 4.3404 4.3485 4.4310 4.4874 4.5082 4.5838 4.5863 4.6685 4.6948 4.9394 5.0400 5.1057 5.1061 5.4860 5.5236 5.6239 5.6401 5.9959 5.9969 6.4985 6.5007 6.8081 6.8294 6.8731 6.8791 7.1364 7.1534 7.1683 7.1750 8.5230 8.5252 9.2529 9.2572 10.1275 10.1570 10.6933 10.7032 k = 0.4861 0.3483 0.6502 ( 5974 PWs) bands (ev): -7.6310 -7.6308 -6.9656 -6.9653 -6.9010 -6.8998 -6.8565 -6.8559 -1.3787 -1.3781 0.6386 0.6390 1.0110 1.0223 1.5690 1.5774 1.8641 1.9062 2.6308 2.6851 2.8292 2.9047 3.0024 3.0112 3.0434 3.0638 3.0821 3.1105 3.3461 3.3511 3.3864 3.3984 4.2813 4.3381 4.3463 4.4332 4.4829 4.5052 4.5800 4.5801 4.6677 4.6935 4.9480 5.0507 5.0998 5.1005 5.4690 5.5094 5.6163 5.6338 5.9932 5.9944 6.5057 6.5073 6.7956 6.8154 6.8657 6.8760 7.1235 7.1438 7.1660 7.1714 8.5427 8.5467 9.2566 9.2611 10.1509 10.1823 10.6830 10.6930 k = 0.5000 0.3583 0.6380 ( 5978 PWs) bands (ev): -7.6327 -7.6325 -6.9716 -6.9712 -6.8968 -6.8956 -6.8550 -6.8544 -1.3724 -1.3719 0.6537 0.6541 1.0245 1.0367 1.5734 1.5830 1.8562 1.9014 2.6299 2.6856 2.8167 2.8892 2.9995 3.0085 3.0391 3.0553 3.0805 3.1115 3.3493 3.3525 3.3887 3.3993 4.2787 4.3357 4.3441 4.4353 4.4790 4.5027 4.5737 4.5762 4.6671 4.6921 4.9567 5.0603 5.0946 5.0960 5.4524 5.4958 5.6068 5.6254 5.9900 5.9913 6.5113 6.5127 6.7818 6.8003 6.8576 6.8721 7.1101 7.1331 7.1645 7.1690 8.5641 8.5692 9.2676 9.2725 10.1701 10.2031 10.6660 10.6759 k = 0.5000 0.3583 0.6380 ( 5978 PWs) bands (ev): -7.6327 -7.6325 -6.9716 -6.9712 -6.8968 -6.8956 -6.8550 -6.8544 -1.3724 -1.3719 0.6537 0.6541 1.0245 1.0367 1.5734 1.5830 1.8562 1.9014 2.6299 2.6856 2.8167 2.8892 2.9995 3.0085 3.0391 3.0553 3.0805 3.1115 3.3493 3.3525 3.3887 3.3993 4.2787 4.3357 4.3441 4.4353 4.4790 4.5027 4.5737 4.5762 4.6671 4.6921 4.9567 5.0603 5.0946 5.0960 5.4524 5.4958 5.6068 5.6254 5.9900 5.9913 6.5113 6.5127 6.7818 6.8003 6.8576 6.8721 7.1101 7.1331 7.1645 7.1690 8.5641 8.5692 9.2676 9.2725 10.1701 10.2031 10.6660 10.6759 k = 0.5000 0.3583 0.6167 ( 5980 PWs) bands (ev): -7.6364 -7.6362 -6.9823 -6.9818 -6.8891 -6.8878 -6.8518 -6.8512 -1.3617 -1.3614 0.6834 0.6838 1.0494 1.0633 1.5672 1.5766 1.8582 1.9061 2.6294 2.6854 2.7926 2.8554 2.9946 3.0040 3.0353 3.0408 3.0794 3.1133 3.3540 3.3546 3.3934 3.4004 4.2755 4.3312 4.3400 4.4391 4.4728 4.4982 4.5627 4.5696 4.6660 4.6894 4.9720 5.0694 5.0860 5.0956 5.4233 5.4720 5.5892 5.6094 5.9846 5.9859 6.5183 6.5196 6.7560 6.7725 6.8428 6.8637 7.0887 7.1154 7.1623 7.1658 8.6027 8.6095 9.2924 9.2982 10.1962 10.2316 10.6265 10.6360 k = 0.5000 0.3583 0.5955 ( 5984 PWs) bands (ev): -7.6406 -7.6404 -6.9935 -6.9930 -6.8808 -6.8794 -6.8481 -6.8476 -1.3511 -1.3509 0.7152 0.7155 1.0766 1.0921 1.5598 1.5686 1.8609 1.9110 2.6286 2.6798 2.7697 2.8176 2.9900 3.0001 3.0289 3.0341 3.0792 3.1155 3.3548 3.3595 3.3992 3.4018 4.2736 4.3265 4.3355 4.4428 4.4666 4.4926 4.5523 4.5634 4.6649 4.6865 4.9868 5.0636 5.0784 5.1095 5.3924 5.4468 5.5722 5.5940 5.9800 5.9813 6.5228 6.5236 6.7293 6.7442 6.8271 6.8522 7.0715 7.1005 7.1594 7.1621 8.6436 8.6522 9.3153 9.3220 10.2162 10.2529 10.5800 10.5891 k = 0.5000 0.3583 0.5742 ( 5980 PWs) bands (ev): -7.6453 -7.6450 -7.0052 -7.0046 -6.8720 -6.8705 -6.8438 -6.8434 -1.3409 -1.3408 0.7488 0.7492 1.1059 1.1230 1.5511 1.5589 1.8646 1.9163 2.6267 2.6642 2.7530 2.7781 2.9859 2.9968 3.0196 3.0341 3.0796 3.1179 3.3553 3.3637 3.4044 3.4062 4.2731 4.3213 4.3306 4.4461 4.4609 4.4856 4.5431 4.5575 4.6635 4.6834 4.9995 5.0530 5.0735 5.1281 5.3604 5.4204 5.5562 5.5794 5.9763 5.9774 6.5245 6.5249 6.7021 6.7157 6.8105 6.8375 7.0592 7.0887 7.1559 7.1577 8.6863 8.6965 9.3354 9.3429 10.2305 10.2679 10.5268 10.5356 k = 0.5000 0.3583 0.5529 ( 5982 PWs) bands (ev): -7.6505 -7.6502 -7.0172 -7.0165 -6.8628 -6.8612 -6.8390 -6.8386 -1.3314 -1.3310 0.7841 0.7847 1.1372 1.1560 1.5409 1.5475 1.8691 1.9219 2.6225 2.6370 2.7392 2.7448 2.9823 2.9941 3.0125 3.0346 3.0803 3.1204 3.3562 3.3669 3.4087 3.4142 4.2738 4.3159 4.3251 4.4479 4.4570 4.4770 4.5353 4.5519 4.6618 4.6801 5.0073 5.0411 5.0739 5.1475 5.3274 5.3934 5.5411 5.5657 5.9732 5.9742 6.5221 6.5245 6.6748 6.6870 6.7936 6.8195 7.0517 7.0799 7.1515 7.1524 8.7303 8.7418 9.3516 9.3600 10.2404 10.2777 10.4676 10.4758 k = 0.5000 0.3583 0.5317 ( 5988 PWs) bands (ev): -7.6562 -7.6559 -7.0295 -7.0287 -6.8531 -6.8515 -6.8335 -6.8333 -1.3226 -1.3220 0.8210 0.8219 1.1704 1.1908 1.5294 1.5342 1.8745 1.9278 2.6018 2.6131 2.7046 2.7422 2.9793 2.9919 3.0071 3.0349 3.0815 3.1231 3.3578 3.3693 3.4148 3.4229 4.2757 4.3103 4.3192 4.4453 4.4576 4.4667 4.5289 4.5465 4.6600 4.6767 5.0082 5.0290 5.0817 5.1671 5.2939 5.3659 5.5273 5.5531 5.9707 5.9714 6.5162 6.5216 6.6475 6.6585 6.7769 6.7992 7.0485 7.0740 7.1462 7.1462 8.7747 8.7872 9.3632 9.3728 10.2464 10.2832 10.4030 10.4107 k = 0.5000 0.3583 0.5104 ( 5978 PWs) bands (ev): -7.6624 -7.6620 -7.0420 -7.0412 -6.8431 -6.8414 -6.8275 -6.8273 -1.3148 -1.3138 0.8593 0.8607 1.2054 1.2271 1.5166 1.5193 1.8807 1.9340 2.5624 2.5936 2.6795 2.7421 2.9770 2.9903 3.0030 3.0348 3.0831 3.1261 3.3607 3.3714 3.4225 3.4323 4.2786 4.3047 4.3129 4.4404 4.4551 4.4608 4.5238 4.5415 4.6580 4.6733 5.0037 5.0171 5.0954 5.1865 5.2603 5.3383 5.5151 5.5420 5.9686 5.9691 6.5070 6.5164 6.6204 6.6302 6.7611 6.7778 7.0486 7.0704 7.1391 7.1402 8.8188 8.8316 9.3702 9.3813 10.2487 10.2847 10.3342 10.3412 k = 0.5000 0.3583 0.4891 ( 5984 PWs) bands (ev): -7.6690 -7.6686 -7.0546 -7.0538 -6.8328 -6.8310 -6.8208 -6.8207 -1.3081 -1.3067 0.8989 0.9008 1.2419 1.2646 1.5027 1.5028 1.8876 1.9403 2.5208 2.5628 2.6658 2.7427 2.9753 2.9892 3.0000 3.0340 3.0850 3.1293 3.3650 3.3739 3.4315 3.4423 4.2820 4.2994 4.3061 4.4353 4.4423 4.4645 4.5195 4.5366 4.6557 4.6697 4.9967 5.0055 5.1120 5.2053 5.2269 5.3109 5.5046 5.5326 5.9668 5.9670 6.4947 6.5088 6.5938 6.6023 6.7465 6.7563 7.0510 7.0688 7.1310 7.1333 8.8615 8.8739 9.3728 9.3860 10.2457 10.2604 10.2688 10.2830 k = 0.5000 0.3583 0.4679 ( 5980 PWs) bands (ev): -7.6760 -7.6756 -7.0673 -7.0665 -6.8222 -6.8204 -6.8135 -6.8135 -1.3026 -1.3008 0.9396 0.9423 1.2797 1.3024 1.4849 1.4884 1.8952 1.9469 2.4784 2.5254 2.6588 2.7432 2.9740 2.9887 2.9981 3.0326 3.0873 3.1329 3.3711 3.3773 3.4416 3.4530 4.2844 4.2960 4.2988 4.4288 4.4303 4.4683 4.5158 4.5318 4.6532 4.6662 4.9889 4.9948 5.1296 5.1940 5.2231 5.2840 5.4962 5.5252 5.9649 5.9651 6.4794 6.4988 6.5677 6.5750 6.7337 6.7357 7.0550 7.0689 7.1221 7.1256 8.9016 8.9125 9.3720 9.3882 10.1863 10.1922 10.2383 10.2730 k = 0.5000 0.3583 0.4466 ( 5970 PWs) bands (ev): -7.6834 -7.6829 -7.0801 -7.0792 -6.8115 -6.8097 -6.8057 -6.8056 -1.2983 -1.2963 0.9812 0.9849 1.3183 1.3390 1.4659 1.4749 1.9034 1.9536 2.4359 2.4857 2.6544 2.7429 2.9731 2.9887 2.9973 3.0305 3.0900 3.1367 3.3789 3.3820 3.4525 3.4642 4.2826 4.2910 4.2978 4.4147 4.4258 4.4720 4.5124 4.5270 4.6505 4.6627 4.9815 4.9852 5.1448 5.1640 5.2380 5.2590 5.4904 5.5205 5.9628 5.9632 6.4619 6.4863 6.5422 6.5484 6.7169 6.7226 7.0599 7.0703 7.1122 7.1174 8.9376 8.9460 9.3692 9.3895 10.1102 10.1158 10.2218 10.2558 k = 0.5000 0.3583 0.4253 ( 5966 PWs) bands (ev): -7.6911 -7.6906 -7.0927 -7.0918 -6.8008 -6.7989 -6.7973 -6.7971 -1.2954 -1.2930 1.0236 1.0285 1.3570 1.3699 1.4465 1.4667 1.9120 1.9603 2.3938 2.4457 2.6506 2.7415 2.9725 2.9892 2.9975 3.0281 3.0930 3.1410 3.3883 3.3884 3.4641 3.4759 4.2780 4.2827 4.3032 4.4004 4.4218 4.4756 4.5089 4.5221 4.6475 4.6593 4.9749 4.9768 5.1266 5.1672 5.2284 5.2571 5.4874 5.5189 5.9604 5.9611 6.4424 6.4716 6.5176 6.5226 6.7003 6.7133 7.0651 7.0728 7.1015 7.1088 8.9682 8.9729 9.3663 9.3915 10.0336 10.0387 10.1973 10.2301 k = 0.5000 0.3583 0.4041 ( 5970 PWs) bands (ev): -7.6990 -7.6984 -7.1052 -7.1043 -6.7903 -6.7891 -6.7878 -6.7874 -1.2939 -1.2912 1.0664 1.0730 1.3845 1.3917 1.4309 1.4742 1.9210 1.9671 2.3526 2.4065 2.6466 2.7385 2.9723 2.9901 2.9989 3.0255 3.0962 3.1455 3.3963 3.3995 3.4762 3.4881 4.2730 4.2741 4.3096 4.3861 4.4183 4.4789 4.5052 4.5170 4.6445 4.6559 4.9697 4.9699 5.0958 5.1822 5.2038 5.2685 5.4880 5.5208 5.9576 5.9586 6.4216 6.4547 6.4939 6.4978 6.6864 6.7056 7.0691 7.0761 7.0899 7.1008 8.9918 8.9920 9.3650 9.3958 9.9575 9.9621 10.1651 10.1963 k = 0.5000 0.3583 0.3828 ( 5970 PWs) bands (ev): -7.7071 -7.7065 -7.1175 -7.1166 -6.7802 -6.7798 -6.7778 -6.7767 -1.2938 -1.2907 1.1095 1.1181 1.3787 1.3942 1.4471 1.5015 1.9302 1.9737 2.3127 2.3687 2.6417 2.7337 2.9727 2.9913 3.0013 3.0231 3.0997 3.1502 3.4060 3.4120 3.4889 3.5009 4.2650 4.2682 4.3164 4.3721 4.4156 4.4819 4.5012 4.5116 4.6414 4.6526 4.9643 4.9661 5.0650 5.1793 5.1957 5.2777 5.4925 5.5269 5.9542 5.9554 6.4001 6.4360 6.4712 6.4742 6.6751 6.6996 7.0692 7.0772 7.0804 7.0962 9.0031 9.0077 9.3665 9.4030 9.8826 9.8867 10.1267 10.1559 k = 0.5000 0.3583 0.3615 ( 5978 PWs) bands (ev): -7.7152 -7.7147 -7.1295 -7.1286 -6.7704 -6.7703 -6.7672 -6.7659 -1.2949 -1.2916 1.1523 1.1638 1.3628 1.3756 1.4844 1.5381 1.9396 1.9801 2.2742 2.3326 2.6357 2.7269 2.9737 2.9930 3.0048 3.0213 3.1034 3.1551 3.4173 3.4256 3.5021 3.5141 4.2554 4.2636 4.3227 4.3592 4.4135 4.4844 4.4968 4.5059 4.6384 4.6493 4.9600 4.9645 5.0347 5.1555 5.2068 5.2839 5.5011 5.5371 5.9501 5.9514 6.3782 6.4158 6.4497 6.4519 6.6666 6.6951 7.0629 7.0643 7.0847 7.0974 9.0070 9.0160 9.3713 9.4128 9.8095 9.8132 10.0837 10.1108 k = 0.5000 0.3583 0.3403 ( 5982 PWs) bands (ev): -7.7234 -7.7228 -7.1412 -7.1403 -6.7606 -6.7606 -6.7566 -6.7552 -1.2973 -1.2938 1.1939 1.2098 1.3430 1.3559 1.5233 1.5776 1.9492 1.9862 2.2375 2.2986 2.6283 2.7180 2.9757 2.9949 3.0091 3.0204 3.1073 3.1600 3.4302 3.4401 3.5156 3.5277 4.2456 4.2595 4.3263 4.3498 4.4122 4.4863 4.4917 4.5004 4.6357 4.6461 4.9566 4.9648 5.0051 5.1332 5.2153 5.2871 5.5139 5.5511 5.9450 5.9464 6.3564 6.3947 6.4296 6.4311 6.6609 6.6922 7.0506 7.0523 7.0895 7.1019 9.0051 9.0176 9.3786 9.4239 9.7389 9.7421 10.0375 10.0624 k = 0.5000 0.3583 0.3190 ( 6000 PWs) bands (ev): -7.7315 -7.7310 -7.1525 -7.1516 -6.7508 -6.7506 -6.7462 -6.7448 -1.3008 -1.2971 1.2314 1.2557 1.3219 1.3396 1.5617 1.6176 1.9587 1.9919 2.2027 2.2668 2.6194 2.7071 2.9785 2.9970 3.0140 3.0203 3.1114 3.1649 3.4442 3.4552 3.5294 3.5417 4.2355 4.2554 4.3221 4.3491 4.4116 4.4859 4.4869 4.4956 4.6336 4.6429 4.9535 4.9666 4.9766 5.1126 5.2211 5.2877 5.5305 5.5684 5.9390 5.9404 6.3349 6.3730 6.4109 6.4118 6.6579 6.6910 7.0364 7.0399 7.0942 7.1073 8.9995 9.0144 9.3869 9.4346 9.6713 9.6741 9.9893 10.0121 k = 0.5000 0.3583 0.2977 ( 5996 PWs) bands (ev): -7.7395 -7.7390 -7.1633 -7.1625 -6.7410 -6.7407 -6.7360 -6.7346 -1.3053 -1.3015 1.2557 1.2937 1.3079 1.3363 1.5989 1.6571 1.9682 1.9971 2.1703 2.2375 2.6090 2.6942 2.9822 2.9994 3.0195 3.0214 3.1157 3.1697 3.4593 3.4707 3.5434 3.5560 4.2252 4.2509 4.3135 4.3545 4.4116 4.4796 4.4848 4.4933 4.6320 4.6398 4.9471 4.9497 4.9722 5.0948 5.2247 5.2863 5.5504 5.5883 5.9319 5.9332 6.3141 6.3512 6.3939 6.3942 6.6576 6.6918 7.0219 7.0264 7.0988 7.1128 8.9920 9.0086 9.3944 9.4434 9.6072 9.6095 9.9400 9.9607 k = 0.5000 0.3583 0.2765 ( 6002 PWs) bands (ev): -7.7473 -7.7468 -7.1737 -7.1728 -6.7312 -6.7309 -6.7261 -6.7248 -1.3106 -1.3067 1.2553 1.2762 1.3491 1.3578 1.6344 1.6953 1.9775 2.0015 2.1403 2.2107 2.5973 2.6796 2.9867 3.0021 3.0234 3.0253 3.1201 3.1742 3.4751 3.4861 3.5576 3.5706 4.2148 4.2454 4.3058 4.3615 4.4119 4.4729 4.4808 4.4930 4.6311 4.6366 4.9194 4.9439 4.9785 5.0806 5.2265 5.2832 5.5727 5.6099 5.9236 5.9248 6.2941 6.3298 6.3783 6.3784 6.6601 6.6947 7.0072 7.0124 7.1029 7.1176 8.9843 9.0019 9.3994 9.4488 9.5469 9.5487 9.8904 9.9092 k = 0.5000 0.3583 0.2552 ( 5998 PWs) bands (ev): -7.7548 -7.7543 -7.1834 -7.1826 -6.7216 -6.7213 -6.7167 -6.7154 -1.3166 -1.3127 1.2408 1.2545 1.3933 1.3940 1.6676 1.7316 1.9866 2.0049 2.1135 2.1868 2.5844 2.6636 2.9918 3.0051 3.0263 3.0312 3.1247 3.1785 3.4912 3.5014 3.5717 3.5853 4.2045 4.2382 4.3012 4.3689 4.4122 4.4657 4.4773 4.4930 4.6310 4.6334 4.8923 4.9349 4.9867 5.0713 5.2269 5.2790 5.5966 5.6324 5.9142 5.9152 6.2751 6.3089 6.3641 6.3646 6.6656 6.7000 6.9925 6.9981 7.1061 7.1215 8.9779 8.9960 9.4005 9.4493 9.4913 9.4925 9.8410 9.8579 k = 0.5000 0.3583 0.2339 ( 5994 PWs) bands (ev): -7.7620 -7.7615 -7.1926 -7.1918 -6.7123 -6.7120 -6.7077 -6.7065 -1.3230 -1.3192 1.2226 1.2332 1.4325 1.4384 1.6982 1.7655 1.9953 2.0066 2.0903 2.1656 2.5706 2.6464 2.9973 3.0085 3.0298 3.0371 3.1295 3.1823 3.5073 3.5162 3.5858 3.6000 4.1943 4.2290 4.3004 4.3761 4.4118 4.4584 4.4755 4.4927 4.6301 4.6318 4.8659 4.9220 4.9965 5.0670 5.2265 5.2741 5.6212 5.6552 5.9038 5.9044 6.2572 6.2888 6.3516 6.3525 6.6741 6.7078 6.9780 6.9838 7.1082 7.1242 8.9737 8.9921 9.3953 9.4341 9.4417 9.4513 9.7922 9.8074 k = 0.5000 0.3583 0.2127 ( 5994 PWs) bands (ev): -7.7688 -7.7683 -7.2011 -7.2004 -6.7034 -6.7031 -6.6993 -6.6981 -1.3296 -1.3259 1.2038 1.2128 1.4722 1.4817 1.7259 1.7964 2.0034 2.0059 2.0721 2.1474 2.5562 2.6285 3.0030 3.0120 3.0337 3.0429 3.1345 3.1857 3.5230 3.5303 3.5998 3.6144 4.1844 4.2183 4.3031 4.3830 4.4103 4.4513 4.4757 4.4921 4.6267 4.6332 4.8405 4.9055 5.0076 5.0674 5.2255 5.2687 5.6459 5.6775 5.8924 5.8927 6.2406 6.2697 6.3407 6.3419 6.6856 6.7183 6.9639 6.9696 7.1088 7.1252 8.9728 8.9911 9.3758 9.3890 9.4061 9.4391 9.7443 9.7577 k = 0.5000 0.3583 0.1914 ( 6000 PWs) bands (ev): -7.7751 -7.7746 -7.2089 -7.2083 -6.6950 -6.6948 -6.6914 -6.6904 -1.3363 -1.3329 1.1856 1.1935 1.5112 1.5234 1.7505 1.8235 2.0022 2.0109 2.0598 2.1320 2.5417 2.6101 3.0087 3.0158 3.0379 3.0482 3.1396 3.1885 3.5381 3.5436 3.6134 3.6284 4.1749 4.2068 4.3088 4.3891 4.4077 4.4446 4.4778 4.4912 4.6232 4.6354 4.8163 4.8861 5.0198 5.0713 5.2242 5.2630 5.6698 5.6988 5.8804 5.8804 6.2253 6.2517 6.3314 6.3328 6.7002 6.7316 6.9505 6.9559 7.1076 7.1243 8.9757 8.9939 9.3394 9.3457 9.3873 9.4246 9.6974 9.7092 k = 0.5000 0.3583 0.1701 ( 5998 PWs) bands (ev): -7.7809 -7.7805 -7.2160 -7.2154 -6.6872 -6.6870 -6.6842 -6.6833 -1.3429 -1.3397 1.1686 1.1755 1.5487 1.5633 1.7717 1.8457 1.9965 2.0175 2.0534 2.1194 2.5275 2.5915 3.0143 3.0196 3.0422 3.0531 3.1449 3.1907 3.5521 3.5559 3.6267 3.6418 4.1660 4.1952 4.3172 4.3941 4.4042 4.4390 4.4807 4.4907 4.6198 4.6382 4.7934 4.8647 5.0327 5.0775 5.2229 5.2573 5.6924 5.7185 5.8677 5.8681 6.2113 6.2350 6.3237 6.3251 6.7179 6.7476 6.9380 6.9428 7.1044 7.1213 8.9828 9.0009 9.3022 9.3066 9.3696 9.4057 9.6515 9.6616 k = 0.5000 0.3583 0.1489 ( 6002 PWs) bands (ev): -7.7861 -7.7857 -7.2223 -7.2218 -6.6800 -6.6799 -6.6777 -6.6770 -1.3492 -1.3462 1.1531 1.1591 1.5842 1.6007 1.7896 1.8617 1.9918 2.0231 2.0507 2.1091 2.5140 2.5732 3.0195 3.0233 3.0464 3.0573 3.1503 3.1923 3.5648 3.5670 3.6394 3.6542 4.1580 4.1839 4.3279 4.3975 4.4003 4.4351 4.4817 4.4921 4.6169 4.6416 4.7722 4.8421 5.0459 5.0850 5.2217 5.2517 5.7130 5.7361 5.8552 5.8559 6.1988 6.2197 6.3173 6.3188 6.7382 6.7660 6.9267 6.9306 7.0989 7.1159 8.9945 9.0124 9.2685 9.2722 9.3497 9.3834 9.6065 9.6150 k = 0.5000 0.3583 0.1276 ( 6010 PWs) bands (ev): -7.7907 -7.7904 -7.2279 -7.2274 -6.6736 -6.6736 -6.6719 -6.6714 -1.3550 -1.3524 1.1393 1.1445 1.6173 1.6352 1.8043 1.8705 1.9912 2.0277 2.0499 2.1007 2.5019 2.5555 3.0243 3.0269 3.0505 3.0608 3.1558 3.1932 3.5760 3.5768 3.6514 3.6654 4.1507 4.1733 4.3406 4.3964 4.3985 4.4339 4.4803 4.4946 4.6155 4.6455 4.7530 4.8187 5.0591 5.0928 5.2208 5.2462 5.7313 5.7512 5.8435 5.8444 6.1879 6.2058 6.3121 6.3136 6.7607 6.7862 6.9168 6.9195 7.0910 7.1081 9.0107 9.0284 9.2390 9.2424 9.3280 9.3589 9.5623 9.5694 k = 0.5000 0.3583 0.1063 ( 6018 PWs) bands (ev): -7.7947 -7.7944 -7.2326 -7.2322 -6.6682 -6.6681 -6.6669 -6.6666 -1.3601 -1.3579 1.1274 1.1317 1.6476 1.6661 1.8162 1.8724 1.9955 2.0313 2.0499 2.0935 2.4917 2.5386 3.0286 3.0302 3.0544 3.0636 3.1611 3.1935 3.5854 3.5855 3.6624 3.6751 4.1446 4.1635 4.3549 4.3927 4.3973 4.4353 4.4775 4.4954 4.6168 4.6499 4.7358 4.7949 5.0717 5.1003 5.2203 5.2412 5.7466 5.7632 5.8333 5.8342 6.1786 6.1936 6.3080 6.3094 6.7849 6.8075 6.9087 6.9097 7.0810 7.0980 9.0312 9.0488 9.2140 9.2173 9.3054 9.3335 9.5191 9.5249 k = 0.5000 0.3583 0.0851 ( 6014 PWs) bands (ev): -7.7979 -7.7977 -7.2365 -7.2362 -6.6638 -6.6635 -6.6626 -6.6626 -1.3645 -1.3627 1.1175 1.1210 1.6745 1.6926 1.8255 1.8693 2.0036 2.0343 2.0499 2.0865 2.4838 2.5231 3.0322 3.0331 3.0578 3.0656 3.1665 3.1930 3.5925 3.5932 3.6722 3.6831 4.1398 4.1550 4.3707 4.3897 4.3948 4.4385 4.4741 4.4923 4.6220 4.6549 4.7210 4.7711 5.0835 5.1069 5.2201 5.2366 5.7585 5.7714 5.8257 5.8261 6.1711 6.1831 6.3050 6.3061 6.8097 6.8285 6.9016 6.9029 7.0693 7.0857 9.0556 9.0731 9.1936 9.1969 9.2832 9.3086 9.4776 9.4823 k = 0.5000 0.3583 0.0638 ( 6006 PWs) bands (ev): -7.8005 -7.8003 -7.2395 -7.2393 -6.6603 -6.6599 -6.6594 -6.6592 -1.3680 -1.3666 1.1098 1.1125 1.6975 1.7137 1.8327 1.8636 2.0137 2.0367 2.0499 2.0791 2.4786 2.5093 3.0351 3.0355 3.0608 3.0668 3.1716 3.1919 3.5983 3.5991 3.6806 3.6891 4.1364 4.1478 4.3869 4.3873 4.3927 4.4428 4.4702 4.4847 4.6317 4.6602 4.7083 4.7475 5.0940 5.1120 5.2204 5.2325 5.7665 5.7754 5.8209 5.8212 6.1654 6.1745 6.3028 6.3037 6.8335 6.8469 6.8956 6.9002 7.0568 7.0720 9.0826 9.1003 9.1777 9.1814 9.2621 9.2848 9.4394 9.4432 k = 0.5000 0.3583 0.0425 ( 6004 PWs) bands (ev): -7.8023 -7.8022 -7.2417 -7.2415 -6.6578 -6.6575 -6.6570 -6.6568 -1.3704 -1.3695 1.1044 1.1062 1.7161 1.7285 1.8382 1.8574 2.0243 2.0387 2.0498 2.0710 2.4764 2.4975 3.0372 3.0374 3.0633 3.0674 3.1763 3.1901 3.6025 3.6032 3.6872 3.6931 4.1344 4.1420 4.3858 4.3888 4.4059 4.4474 4.4659 4.4730 4.6453 4.6661 4.6974 4.7245 5.1028 5.1151 5.2210 5.2290 5.7709 5.7761 5.8187 5.8196 6.1617 6.1678 6.3013 6.3019 6.8536 6.8598 6.8930 6.9012 7.0455 7.0580 9.1104 9.1282 9.1665 9.1709 9.2427 9.2622 9.4072 9.4102 k = 0.5000 0.3583 0.0213 ( 5996 PWs) bands (ev): -7.8034 -7.8034 -7.2429 -7.2429 -6.6563 -6.6561 -6.6554 -6.6553 -1.3718 -1.3714 1.1013 1.1022 1.7293 1.7362 1.8427 1.8517 2.0337 2.0399 2.0506 2.0624 2.4773 2.4880 3.0385 3.0385 3.0652 3.0673 3.1806 3.1876 3.6051 3.6055 3.6919 3.6949 4.1339 4.1377 4.3854 4.3869 4.4237 4.4522 4.4579 4.4618 4.6621 4.6726 4.6880 4.7023 5.1096 5.1158 5.2222 5.2261 5.7728 5.7751 5.8185 5.8192 6.1601 6.1631 6.3006 6.3009 6.8653 6.8662 6.8961 6.9036 7.0382 7.0457 9.1348 9.1489 9.1632 9.1667 9.2268 9.2407 9.3854 9.3871 k = 0.5000 0.3583 0.0000 ( 5982 PWs) bands (ev): -7.8038 -7.8038 -7.2433 -7.2433 -6.6558 -6.6558 -6.6548 -6.6548 -1.3722 -1.3722 1.1006 1.1006 1.7363 1.7363 1.8469 1.8469 2.0392 2.0392 2.0546 2.0546 2.4812 2.4812 3.0389 3.0389 3.0666 3.0666 3.1844 3.1844 3.6062 3.6062 3.6946 3.6946 4.1350 4.1350 4.3858 4.3858 4.4414 4.4414 4.4570 4.4570 4.6796 4.6796 4.6817 4.6817 5.1139 5.1139 5.2239 5.2239 5.7739 5.7739 5.8190 5.8190 6.1606 6.1606 6.3004 6.3004 6.8681 6.8681 6.9020 6.9020 7.0382 7.0382 9.1480 9.1480 9.1686 9.1686 9.2245 9.2245 9.3782 9.3782 k = 0.0000 0.0000 0.8584 ( 5972 PWs) bands (ev): -7.6172 -7.6172 -6.9363 -6.9363 -6.9074 -6.9074 -6.8720 -6.8720 -1.4401 -1.4401 0.4969 0.4969 0.9032 0.9032 1.5964 1.5964 1.8677 1.8677 2.6435 2.6435 2.9343 2.9343 3.0355 3.0355 3.0878 3.0878 3.2447 3.2447 3.3344 3.3344 3.3426 3.3426 4.3561 4.3561 4.3741 4.3741 4.5220 4.5220 4.6396 4.6396 4.6839 4.6839 4.9010 4.9010 5.1502 5.1502 5.6073 5.6073 5.7445 5.7445 6.0496 6.0496 6.4023 6.4023 6.8969 6.8969 6.9840 6.9840 7.1649 7.1649 7.3121 7.3121 8.3579 8.3579 9.1048 9.1048 9.8362 9.8362 10.7907 10.7907 k = 0.0167 0.0119 0.8584 ( 5988 PWs) bands (ev): -7.6172 -7.6172 -6.9362 -6.9362 -6.9075 -6.9075 -6.8720 -6.8720 -1.4400 -1.4400 0.4985 0.4985 0.9025 0.9025 1.5812 1.5812 1.8830 1.8830 2.6454 2.6454 2.9332 2.9332 3.0355 3.0355 3.0876 3.0876 3.2436 3.2436 3.3343 3.3343 3.3424 3.3424 4.3560 4.3560 4.3740 4.3740 4.5226 4.5226 4.6394 4.6394 4.6837 4.6837 4.9009 4.9009 5.1510 5.1510 5.6075 5.6075 5.7420 5.7420 6.0491 6.0491 6.4028 6.4028 6.8946 6.8946 6.9840 6.9840 7.1649 7.1649 7.3108 7.3108 8.3614 8.3614 9.1106 9.1106 9.8348 9.8348 10.7890 10.7890 k = 0.0333 0.0239 0.8584 ( 5980 PWs) bands (ev): -7.6172 -7.6172 -6.9360 -6.9360 -6.9078 -6.9078 -6.8721 -6.8721 -1.4397 -1.4397 0.5032 0.5032 0.9005 0.9005 1.5429 1.5429 1.9214 1.9214 2.6511 2.6511 2.9298 2.9298 3.0357 3.0357 3.0874 3.0874 3.2404 3.2404 3.3341 3.3341 3.3421 3.3421 4.3561 4.3561 4.3739 4.3739 4.5245 4.5245 4.6393 4.6393 4.6832 4.6832 4.9009 4.9009 5.1535 5.1535 5.6082 5.6083 5.7346 5.7346 6.0478 6.0478 6.4043 6.4043 6.8879 6.8879 6.9843 6.9843 7.1652 7.1653 7.3073 7.3073 8.3717 8.3717 9.1281 9.1281 9.8306 9.8306 10.7835 10.7835 k = 0.0500 0.0358 0.8584 ( 5978 PWs) bands (ev): -7.6172 -7.6172 -6.9356 -6.9356 -6.9082 -6.9082 -6.8721 -6.8721 -1.4393 -1.4393 0.5112 0.5112 0.8973 0.8973 1.4929 1.4929 1.9718 1.9718 2.6604 2.6604 2.9241 2.9241 3.0361 3.0361 3.0869 3.0869 3.2350 3.2350 3.3337 3.3337 3.3416 3.3416 4.3561 4.3561 4.3736 4.3736 4.5276 4.5276 4.6390 4.6390 4.6824 4.6824 4.9008 4.9008 5.1578 5.1578 5.6094 5.6094 5.7225 5.7225 6.0457 6.0457 6.4067 6.4067 6.8771 6.8771 6.9848 6.9848 7.1658 7.1658 7.3018 7.3018 8.3883 8.3883 9.1568 9.1568 9.8237 9.8237 10.7739 10.7739 k = 0.0667 0.0478 0.8584 ( 5978 PWs) bands (ev): -7.6171 -7.6171 -6.9351 -6.9351 -6.9087 -6.9087 -6.8721 -6.8721 -1.4386 -1.4386 0.5222 0.5222 0.8930 0.8930 1.4375 1.4375 2.0276 2.0276 2.6730 2.6730 2.9162 2.9162 3.0365 3.0365 3.0863 3.0863 3.2273 3.2273 3.3331 3.3331 3.3410 3.3410 4.3563 4.3563 4.3732 4.3732 4.5318 4.5318 4.6386 4.6386 4.6812 4.6812 4.9006 4.9006 5.1638 5.1638 5.6109 5.6109 5.7060 5.7060 6.0428 6.0428 6.4101 6.4101 6.8625 6.8625 6.9856 6.9856 7.1666 7.1666 7.2945 7.2945 8.4105 8.4105 9.1960 9.1960 9.8142 9.8142 10.7591 10.7591 k = 0.0833 0.0597 0.8584 ( 5978 PWs) bands (ev): -7.6171 -7.6171 -6.9344 -6.9344 -6.9094 -6.9094 -6.8721 -6.8721 -1.4379 -1.4379 0.5364 0.5364 0.8879 0.8879 1.3798 1.3798 2.0857 2.0857 2.6885 2.6885 2.9063 2.9063 3.0370 3.0370 3.0856 3.0856 3.2173 3.2173 3.3325 3.3325 3.3404 3.3404 4.3565 4.3565 4.3726 4.3726 4.5371 4.5371 4.6381 4.6381 4.6797 4.6797 4.9004 4.9004 5.1716 5.1716 5.6125 5.6125 5.6857 5.6857 6.0393 6.0393 6.4145 6.4145 6.8449 6.8449 6.9866 6.9866 7.1677 7.1677 7.2858 7.2858 8.4374 8.4374 9.2450 9.2450 9.8023 9.8023 10.7381 10.7381 k = 0.1000 0.0717 0.8584 ( 5980 PWs) bands (ev): -7.6171 -7.6171 -6.9335 -6.9335 -6.9103 -6.9103 -6.8722 -6.8722 -1.4370 -1.4370 0.5537 0.5537 0.8821 0.8821 1.3215 1.3215 2.1445 2.1445 2.7060 2.7060 2.8947 2.8947 3.0376 3.0376 3.0846 3.0846 3.2050 3.2050 3.3318 3.3318 3.3398 3.3398 4.3567 4.3567 4.3720 4.3720 4.5433 4.5433 4.6374 4.6374 4.6778 4.6779 4.9001 4.9001 5.1814 5.1814 5.6135 5.6135 5.6626 5.6626 6.0354 6.0354 6.4198 6.4198 6.8250 6.8250 6.9878 6.9878 7.1690 7.1690 7.2763 7.2764 8.4680 8.4680 9.3028 9.3028 9.7881 9.7881 10.7093 10.7093 k = 0.1167 0.0836 0.8584 ( 5980 PWs) bands (ev): -7.6171 -7.6171 -6.9326 -6.9326 -6.9113 -6.9113 -6.8722 -6.8722 -1.4361 -1.4361 0.5740 0.5740 0.8759 0.8759 1.2634 1.2634 2.2029 2.2029 2.7245 2.7245 2.8822 2.8822 3.0383 3.0383 3.0835 3.0835 3.1905 3.1905 3.3311 3.3311 3.3392 3.3392 4.3570 4.3570 4.3713 4.3713 4.5502 4.5502 4.6366 4.6366 4.6757 4.6757 4.8998 4.8998 5.1931 5.1931 5.6107 5.6107 5.6405 5.6405 6.0311 6.0311 6.4260 6.4260 6.8035 6.8035 6.9891 6.9891 7.1706 7.1706 7.2664 7.2664 8.5009 8.5009 9.3685 9.3685 9.7722 9.7722 10.6715 10.6715 k = 0.1333 0.0955 0.8584 ( 5976 PWs) bands (ev): -7.6171 -7.6171 -6.9315 -6.9315 -6.9124 -6.9124 -6.8723 -6.8723 -1.4352 -1.4352 0.5973 0.5973 0.8697 0.8697 1.2060 1.2060 2.2604 2.2604 2.7417 2.7417 2.8706 2.8706 3.0389 3.0389 3.0821 3.0821 3.1739 3.1740 3.3304 3.3304 3.3388 3.3388 4.3574 4.3574 4.3705 4.3705 4.5578 4.5578 4.6357 4.6357 4.6732 4.6732 4.8996 4.8996 5.2071 5.2071 5.5936 5.5936 5.6303 5.6303 6.0266 6.0266 6.4330 6.4330 6.7813 6.7813 6.9905 6.9905 7.1726 7.1726 7.2564 7.2564 8.5350 8.5350 9.4411 9.4411 9.7550 9.7550 10.6237 10.6237 k = 0.1500 0.1075 0.8584 ( 5970 PWs) bands (ev): -7.6170 -7.6170 -6.9303 -6.9303 -6.9136 -6.9136 -6.8723 -6.8723 -1.4342 -1.4342 0.6235 0.6235 0.8636 0.8636 1.1499 1.1499 2.3165 2.3165 2.7533 2.7533 2.8637 2.8637 3.0395 3.0395 3.0803 3.0803 3.1556 3.1557 3.3299 3.3299 3.3383 3.3384 4.3580 4.3580 4.3696 4.3696 4.5657 4.5657 4.6346 4.6346 4.6706 4.6706 4.8993 4.8993 5.2232 5.2232 5.5648 5.5648 5.6299 5.6299 6.0222 6.0222 6.4407 6.4407 6.7592 6.7592 6.9919 6.9919 7.1748 7.1748 7.2465 7.2465 8.5689 8.5689 9.5197 9.5197 9.7372 9.7372 10.5656 10.5656 k = 0.1667 0.1194 0.8584 ( 5974 PWs) bands (ev): -7.6170 -7.6170 -6.9290 -6.9290 -6.9149 -6.9149 -6.8724 -6.8723 -1.4334 -1.4334 0.6524 0.6524 0.8580 0.8580 1.0953 1.0953 2.3707 2.3707 2.7533 2.7533 2.8671 2.8671 3.0401 3.0401 3.0777 3.0777 3.1363 3.1363 3.3293 3.3294 3.3380 3.3380 4.3586 4.3587 4.3686 4.3686 4.5739 4.5739 4.6331 4.6331 4.6678 4.6679 4.8991 4.8991 5.2416 5.2416 5.5325 5.5325 5.6315 5.6315 6.0181 6.0181 6.4487 6.4487 6.7380 6.7380 6.9933 6.9933 7.1775 7.1775 7.2372 7.2372 8.6011 8.6011 9.6031 9.6031 9.7196 9.7196 10.4978 10.4978 k = 0.1833 0.1314 0.8584 ( 5978 PWs) bands (ev): -7.6170 -7.6170 -6.9277 -6.9277 -6.9162 -6.9162 -6.8724 -6.8724 -1.4326 -1.4326 0.6841 0.6841 0.8529 0.8529 1.0427 1.0427 2.4226 2.4226 2.7399 2.7399 2.8819 2.8820 3.0403 3.0403 3.0731 3.0732 3.1175 3.1175 3.3289 3.3289 3.3377 3.3377 4.3594 4.3594 4.3675 4.3675 4.5820 4.5820 4.6312 4.6312 4.6651 4.6651 4.8989 4.8989 5.2623 5.2623 5.4989 5.4989 5.6335 5.6335 6.0144 6.0144 6.4567 6.4567 6.7184 6.7184 6.9945 6.9945 7.1805 7.1805 7.2284 7.2284 8.6302 8.6302 9.6878 9.6878 9.7059 9.7059 10.4215 10.4215 k = 0.2000 0.1433 0.8584 ( 5978 PWs) bands (ev): -7.6170 -7.6170 -6.9262 -6.9262 -6.9177 -6.9177 -6.8724 -6.8724 -1.4320 -1.4320 0.7181 0.7181 0.8484 0.8484 0.9925 0.9925 2.4718 2.4718 2.7173 2.7173 2.9040 2.9040 3.0397 3.0397 3.0643 3.0643 3.1025 3.1025 3.3286 3.3286 3.3375 3.3375 4.3601 4.3602 4.3664 4.3664 4.5898 4.5899 4.6287 4.6287 4.6626 4.6626 4.8987 4.8987 5.2854 5.2854 5.4651 5.4651 5.6353 5.6353 6.0113 6.0113 6.4643 6.4643 6.7015 6.7015 6.9954 6.9955 7.1839 7.1839 7.2204 7.2204 8.6548 8.6548 9.6875 9.6875 9.7826 9.7826 10.3385 10.3385 k = 0.2167 0.1553 0.8584 ( 5982 PWs) bands (ev): -7.6170 -7.6170 -6.9248 -6.9248 -6.9192 -6.9192 -6.8724 -6.8724 -1.4315 -1.4315 0.7540 0.7540 0.8443 0.8443 0.9457 0.9457 2.5175 2.5175 2.6892 2.6892 2.9290 2.9290 3.0349 3.0349 3.0522 3.0523 3.0943 3.0943 3.3284 3.3284 3.3373 3.3373 4.3609 4.3610 4.3654 4.3654 4.5970 4.5970 4.6258 4.6258 4.6606 4.6606 4.8985 4.8985 5.3107 5.3107 5.4316 5.4316 5.6367 5.6367 6.0089 6.0089 6.4707 6.4707 6.6882 6.6883 6.9962 6.9962 7.1874 7.1874 7.2136 7.2136 8.6736 8.6736 9.6764 9.6764 9.8755 9.8755 10.2503 10.2503 k = 0.2333 0.1672 0.8584 ( 5974 PWs) bands (ev): -7.6170 -7.6170 -6.9232 -6.9232 -6.9207 -6.9207 -6.8725 -6.8724 -1.4312 -1.4312 0.7904 0.7904 0.8388 0.8388 0.9058 0.9058 2.5573 2.5573 2.6597 2.6597 2.9536 2.9536 3.0192 3.0192 3.0472 3.0472 3.0909 3.0909 3.3283 3.3283 3.3372 3.3372 4.3618 4.3618 4.3645 4.3645 4.6027 4.6027 4.6228 4.6228 4.6593 4.6593 4.8985 4.8985 5.3381 5.3381 5.3992 5.3992 5.6377 5.6377 6.0075 6.0075 6.4750 6.4750 6.6797 6.6797 6.9967 6.9967 7.1905 7.1905 7.2085 7.2085 8.6853 8.6853 9.6692 9.6693 9.9698 9.9698 10.1586 10.1586 k = 0.2500 0.1791 0.8584 ( 5960 PWs) bands (ev): -7.6170 -7.6170 -6.9224 -6.9223 -6.9216 -6.9216 -6.8725 -6.8725 -1.4311 -1.4311 0.8195 0.8195 0.8255 0.8255 0.8869 0.8870 2.5781 2.5781 2.6422 2.6422 2.9680 2.9680 3.0068 3.0068 3.0464 3.0464 3.0900 3.0900 3.3282 3.3283 3.3372 3.3372 4.3622 4.3622 4.3641 4.3641 4.6051 4.6052 4.6213 4.6213 4.6589 4.6589 4.8985 4.8985 5.3635 5.3635 5.3722 5.3722 5.6380 5.6380 6.0070 6.0070 6.4767 6.4767 6.6767 6.6767 6.9968 6.9968 7.1914 7.1914 7.2070 7.2070 8.6894 8.6894 9.6668 9.6668 10.0628 10.0628 10.0665 10.0665 Writing output data file FeSixCuSe2x2.save init_run : 1.30s CPU 0.87s WALL ( 1 calls) electrons : 436.12s CPU 315.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 436.11s CPU 315.11s 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 : 0.36s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.55s CPU 0.52s WALL ( 281 calls) cegterg : 360.51s CPU 272.56s WALL ( 310 calls) Called by sum_band: Called by *egterg: h_psi : 295.92s CPU 186.24s WALL ( 5694 calls) s_psi : 17.44s CPU 14.01s WALL ( 5694 calls) g_psi : 0.39s CPU 0.35s WALL ( 5103 calls) cdiaghg : 79.46s CPU 76.47s WALL ( 5384 calls) cegterg:over : 11.95s CPU 11.33s WALL ( 5103 calls) cegterg:upda : 10.03s CPU 9.56s WALL ( 5103 calls) cegterg:last : 4.44s CPU 4.50s WALL ( 872 calls) cdiaghg:chol : 4.54s CPU 4.44s WALL ( 5384 calls) cdiaghg:inve : 3.25s CPU 3.17s WALL ( 5384 calls) cdiaghg:para : 5.34s CPU 5.35s WALL ( 10768 calls) Called by h_psi: h_psi:vloc : 268.02s CPU 164.98s WALL ( 5694 calls) h_psi:vnl : 27.30s CPU 20.87s WALL ( 5694 calls) add_vuspsi : 15.09s CPU 11.22s WALL ( 5694 calls) General routines calbec : 12.16s CPU 9.63s WALL ( 5694 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 255.10s CPU 155.32s WALL ( 849152 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.26s CPU 1.43s WALL ( 562 calls) Parallel routines fft_scatter : 82.94s CPU 61.48s WALL ( 849175 calls) PWSCF : 7m40.58s CPU 5m57.49s WALL This run was terminated on: 15:53: 4 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=