Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:17:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Na3As.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 42 12 1474 1102 165 Max 53 43 13 1475 1119 168 Sum 1879 1531 433 53089 39957 5985 bravais-lattice index = 14 lattice parameter (alat) = 9.1332 a.u. unit-cell volume = 538.7063 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.133187 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Na 9.00 22.98980 Na( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0108696 -0.0062755 0.0088750), wk = 0.0032258 k( 3) = ( 0.0217391 -0.0125511 0.0177499), wk = 0.0032258 k( 4) = ( 0.0326087 -0.0188266 0.0266249), wk = 0.0032258 k( 5) = ( 0.0434783 -0.0251022 0.0354999), wk = 0.0032258 k( 6) = ( 0.0543478 -0.0313777 0.0443748), wk = 0.0032258 k( 7) = ( 0.0652174 -0.0376533 0.0532498), wk = 0.0032258 k( 8) = ( 0.0760870 -0.0439288 0.0621247), wk = 0.0032258 k( 9) = ( 0.0869565 -0.0502044 0.0709997), wk = 0.0032258 k( 10) = ( 0.0978261 -0.0564799 0.0798747), wk = 0.0032258 k( 11) = ( 0.1086957 -0.0627555 0.0887496), wk = 0.0032258 k( 12) = ( 0.1195652 -0.0690310 0.0976246), wk = 0.0032258 k( 13) = ( 0.1304348 -0.0753066 0.1064996), wk = 0.0032258 k( 14) = ( 0.1413043 -0.0815821 0.1153745), wk = 0.0032258 k( 15) = ( 0.1521739 -0.0878576 0.1242495), wk = 0.0032258 k( 16) = ( 0.1630435 -0.0941332 0.1331244), wk = 0.0032258 k( 17) = ( 0.1739130 -0.1004087 0.1419994), wk = 0.0032258 k( 18) = ( 0.1847826 -0.1066843 0.1508744), wk = 0.0032258 k( 19) = ( 0.1956522 -0.1129598 0.1597493), wk = 0.0032258 k( 20) = ( 0.2065217 -0.1192354 0.1686243), wk = 0.0032258 k( 21) = ( 0.2173913 -0.1255109 0.1774993), wk = 0.0032258 k( 22) = ( 0.2282609 -0.1317865 0.1863742), wk = 0.0032258 k( 23) = ( 0.2391304 -0.1380620 0.1952492), wk = 0.0032258 k( 24) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0032258 k( 25) = ( 0.2608696 -0.1506131 0.2129991), wk = 0.0032258 k( 26) = ( 0.2717391 -0.1568887 0.2218741), wk = 0.0032258 k( 27) = ( 0.2826087 -0.1631642 0.2307490), wk = 0.0032258 k( 28) = ( 0.2934783 -0.1694398 0.2396240), wk = 0.0032258 k( 29) = ( 0.3043478 -0.1757153 0.2484990), wk = 0.0032258 k( 30) = ( 0.3152174 -0.1819908 0.2573739), wk = 0.0032258 k( 31) = ( 0.3260870 -0.1882664 0.2662489), wk = 0.0032258 k( 32) = ( 0.3369565 -0.1945419 0.2751238), wk = 0.0032258 k( 33) = ( 0.3478261 -0.2008175 0.2839988), wk = 0.0032258 k( 34) = ( 0.3586956 -0.2070930 0.2928738), wk = 0.0032258 k( 35) = ( 0.3695652 -0.2133686 0.3017487), wk = 0.0032258 k( 36) = ( 0.3804348 -0.2196441 0.3106237), wk = 0.0032258 k( 37) = ( 0.3913044 -0.2259197 0.3194987), wk = 0.0032258 k( 38) = ( 0.4021739 -0.2321952 0.3283736), wk = 0.0032258 k( 39) = ( 0.4130435 -0.2384708 0.3372486), wk = 0.0032258 k( 40) = ( 0.4239130 -0.2447463 0.3461235), wk = 0.0032258 k( 41) = ( 0.4347826 -0.2510219 0.3549985), wk = 0.0032258 k( 42) = ( 0.4456522 -0.2572974 0.3638735), wk = 0.0032258 k( 43) = ( 0.4565217 -0.2635729 0.3727484), wk = 0.0032258 k( 44) = ( 0.4673913 -0.2698485 0.3816234), wk = 0.0032258 k( 45) = ( 0.4782609 -0.2761240 0.3904984), wk = 0.0032258 k( 46) = ( 0.4891304 -0.2823996 0.3993733), wk = 0.0032258 k( 47) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0032258 k( 48) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0032258 k( 49) = ( 0.5000000 -0.2761240 0.4171233), wk = 0.0032258 k( 50) = ( 0.5000000 -0.2635729 0.4259982), wk = 0.0032258 k( 51) = ( 0.5000000 -0.2510219 0.4348732), wk = 0.0032258 k( 52) = ( 0.5000000 -0.2384708 0.4437481), wk = 0.0032258 k( 53) = ( 0.5000000 -0.2259197 0.4526231), wk = 0.0032258 k( 54) = ( 0.5000000 -0.2133686 0.4614981), wk = 0.0032258 k( 55) = ( 0.5000000 -0.2008175 0.4703730), wk = 0.0032258 k( 56) = ( 0.5000000 -0.1882664 0.4792480), wk = 0.0032258 k( 57) = ( 0.5000000 -0.1757153 0.4881230), wk = 0.0032258 k( 58) = ( 0.5000000 -0.1631642 0.4969979), wk = 0.0032258 k( 59) = ( 0.5000000 -0.1506131 0.5058729), wk = 0.0032258 k( 60) = ( 0.5000000 -0.1380620 0.5147478), wk = 0.0032258 k( 61) = ( 0.5000000 -0.1255109 0.5236228), wk = 0.0032258 k( 62) = ( 0.5000000 -0.1129598 0.5324978), wk = 0.0032258 k( 63) = ( 0.5000000 -0.1004087 0.5413727), wk = 0.0032258 k( 64) = ( 0.5000000 -0.0878577 0.5502477), wk = 0.0032258 k( 65) = ( 0.5000000 -0.0753066 0.5591227), wk = 0.0032258 k( 66) = ( 0.5000000 -0.0627555 0.5679976), wk = 0.0032258 k( 67) = ( 0.5000000 -0.0502044 0.5768726), wk = 0.0032258 k( 68) = ( 0.5000000 -0.0376533 0.5857475), wk = 0.0032258 k( 69) = ( 0.5000000 -0.0251022 0.5946225), wk = 0.0032258 k( 70) = ( 0.5000000 -0.0125511 0.6034975), wk = 0.0032258 k( 71) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0032258 k( 72) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0032258 k( 73) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0032258 k( 74) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0032258 k( 75) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0032258 k( 76) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0032258 k( 77) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0032258 k( 78) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0032258 k( 79) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0032258 k( 80) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0032258 k( 81) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0032258 k( 82) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0032258 k( 83) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0032258 k( 84) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0032258 k( 85) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0032258 k( 86) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0032258 k( 87) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0032258 k( 88) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0032258 k( 89) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0032258 k( 90) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0032258 k( 91) = ( 0.3673469 0.2120879 0.5998750), wk = 0.0032258 k( 92) = ( 0.3596939 0.2076694 0.5873776), wk = 0.0032258 k( 93) = ( 0.3520408 0.2032509 0.5748802), wk = 0.0032258 k( 94) = ( 0.3443878 0.1988324 0.5623828), wk = 0.0032258 k( 95) = ( 0.3367347 0.1944139 0.5498855), wk = 0.0032258 k( 96) = ( 0.3290816 0.1899954 0.5373881), wk = 0.0032258 k( 97) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0032258 k( 98) = ( 0.3137755 0.1811584 0.5123933), wk = 0.0032258 k( 99) = ( 0.3061224 0.1767399 0.4998959), wk = 0.0032258 k( 100) = ( 0.2984694 0.1723214 0.4873985), wk = 0.0032258 k( 101) = ( 0.2908163 0.1679029 0.4749011), wk = 0.0032258 k( 102) = ( 0.2831633 0.1634844 0.4624037), wk = 0.0032258 k( 103) = ( 0.2755102 0.1590659 0.4499063), wk = 0.0032258 k( 104) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0032258 k( 105) = ( 0.2602041 0.1502289 0.4249115), wk = 0.0032258 k( 106) = ( 0.2525510 0.1458104 0.4124141), wk = 0.0032258 k( 107) = ( 0.2448980 0.1413919 0.3999167), wk = 0.0032258 k( 108) = ( 0.2372449 0.1369734 0.3874193), wk = 0.0032258 k( 109) = ( 0.2295918 0.1325549 0.3749219), wk = 0.0032258 k( 110) = ( 0.2219388 0.1281364 0.3624245), wk = 0.0032258 k( 111) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0032258 k( 112) = ( 0.2066327 0.1192994 0.3374297), wk = 0.0032258 k( 113) = ( 0.1989796 0.1148809 0.3249323), wk = 0.0032258 k( 114) = ( 0.1913265 0.1104624 0.3124349), wk = 0.0032258 k( 115) = ( 0.1836735 0.1060439 0.2999375), wk = 0.0032258 k( 116) = ( 0.1760204 0.1016254 0.2874401), wk = 0.0032258 k( 117) = ( 0.1683673 0.0972069 0.2749427), wk = 0.0032258 k( 118) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0032258 k( 119) = ( 0.1530612 0.0883699 0.2499479), wk = 0.0032258 k( 120) = ( 0.1454082 0.0839514 0.2374505), wk = 0.0032258 k( 121) = ( 0.1377551 0.0795329 0.2249531), wk = 0.0032258 k( 122) = ( 0.1301020 0.0751144 0.2124557), wk = 0.0032258 k( 123) = ( 0.1224490 0.0706960 0.1999583), wk = 0.0032258 k( 124) = ( 0.1147959 0.0662775 0.1874610), wk = 0.0032258 k( 125) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0032258 k( 126) = ( 0.0994898 0.0574405 0.1624662), wk = 0.0032258 k( 127) = ( 0.0918367 0.0530220 0.1499688), wk = 0.0032258 k( 128) = ( 0.0841837 0.0486035 0.1374714), wk = 0.0032258 k( 129) = ( 0.0765306 0.0441850 0.1249740), wk = 0.0032258 k( 130) = ( 0.0688775 0.0397665 0.1124766), wk = 0.0032258 k( 131) = ( 0.0612245 0.0353480 0.0999792), wk = 0.0032258 k( 132) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0032258 k( 133) = ( 0.0459184 0.0265110 0.0749844), wk = 0.0032258 k( 134) = ( 0.0382653 0.0220925 0.0624870), wk = 0.0032258 k( 135) = ( 0.0306122 0.0176740 0.0499896), wk = 0.0032258 k( 136) = ( 0.0229592 0.0132555 0.0374922), wk = 0.0032258 k( 137) = ( 0.0153061 0.0088370 0.0249948), wk = 0.0032258 k( 138) = ( 0.0076531 0.0044185 0.0124974), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 141) = ( 0.0125000 0.0072169 0.0051031), wk = 0.0032258 k( 142) = ( 0.0250000 0.0144338 0.0102062), wk = 0.0032258 k( 143) = ( 0.0375000 0.0216506 0.0153093), wk = 0.0032258 k( 144) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0032258 k( 145) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0032258 k( 146) = ( 0.0750000 0.0433013 0.0306186), wk = 0.0032258 k( 147) = ( 0.0875000 0.0505181 0.0357217), wk = 0.0032258 k( 148) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0032258 k( 149) = ( 0.1125000 0.0649519 0.0459279), wk = 0.0032258 k( 150) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0032258 k( 151) = ( 0.1375000 0.0793857 0.0561341), wk = 0.0032258 k( 152) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0032258 k( 153) = ( 0.1625000 0.0938194 0.0663403), wk = 0.0032258 k( 154) = ( 0.1750000 0.1010363 0.0714435), wk = 0.0032258 k( 155) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0032258 k( 156) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0032258 k( 157) = ( 0.2125000 0.1226869 0.0867528), wk = 0.0032258 k( 158) = ( 0.2250000 0.1299038 0.0918559), wk = 0.0032258 k( 159) = ( 0.2375000 0.1371207 0.0969590), wk = 0.0032258 k( 160) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0032258 k( 161) = ( 0.2625000 0.1515544 0.1071652), wk = 0.0032258 k( 162) = ( 0.2750000 0.1587713 0.1122683), wk = 0.0032258 k( 163) = ( 0.2875000 0.1659882 0.1173714), wk = 0.0032258 k( 164) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0032258 k( 165) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0032258 k( 166) = ( 0.3250000 0.1876388 0.1326807), wk = 0.0032258 k( 167) = ( 0.3375000 0.1948557 0.1377838), wk = 0.0032258 k( 168) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0032258 k( 169) = ( 0.3625000 0.2092895 0.1479900), wk = 0.0032258 k( 170) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0032258 k( 171) = ( 0.3875000 0.2237232 0.1581962), wk = 0.0032258 k( 172) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0032258 k( 173) = ( 0.4125000 0.2381570 0.1684024), wk = 0.0032258 k( 174) = ( 0.4250000 0.2453739 0.1735055), wk = 0.0032258 k( 175) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0032258 k( 176) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0032258 k( 177) = ( 0.4625000 0.2670245 0.1888148), wk = 0.0032258 k( 178) = ( 0.4750000 0.2742414 0.1939179), wk = 0.0032258 k( 179) = ( 0.4875000 0.2814583 0.1990210), wk = 0.0032258 k( 180) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032258 k( 181) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032258 k( 182) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0032258 k( 183) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0032258 k( 184) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0032258 k( 185) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0032258 k( 186) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0032258 k( 187) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0032258 k( 188) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0032258 k( 189) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0032258 k( 190) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0032258 k( 191) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0032258 k( 192) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0032258 k( 193) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0032258 k( 194) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0032258 k( 195) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0032258 k( 196) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0032258 k( 197) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0032258 k( 198) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0032258 k( 199) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0032258 k( 200) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0032258 k( 201) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0032258 k( 202) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0032258 k( 203) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0032258 k( 204) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0032258 k( 205) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0032258 k( 206) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0032258 k( 207) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0032258 k( 208) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0032258 k( 209) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0032258 k( 210) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0032258 k( 211) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0032258 k( 212) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0032258 k( 213) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0032258 k( 214) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0032258 k( 215) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0032258 k( 216) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0032258 k( 217) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0032258 k( 218) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0032258 k( 219) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0032258 k( 220) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0032258 k( 221) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0032258 k( 222) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0032258 k( 223) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0032258 k( 224) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0032258 k( 225) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0032258 k( 226) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0032258 k( 227) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0032258 k( 228) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0032258 k( 229) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0032258 k( 230) = ( 0.5000000 0.0087477 0.6000013), wk = 0.0032258 k( 231) = ( 0.5000000 0.0174955 0.5876301), wk = 0.0032258 k( 232) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0032258 k( 233) = ( 0.5000000 0.0349909 0.5628878), wk = 0.0032258 k( 234) = ( 0.5000000 0.0437387 0.5505166), wk = 0.0032258 k( 235) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0032258 k( 236) = ( 0.5000000 0.0612341 0.5257743), wk = 0.0032258 k( 237) = ( 0.5000000 0.0699819 0.5134032), wk = 0.0032258 k( 238) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0032258 k( 239) = ( 0.5000000 0.0874773 0.4886608), wk = 0.0032258 k( 240) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0032258 k( 241) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0032258 k( 242) = ( 0.5000000 0.1137205 0.4515473), wk = 0.0032258 k( 243) = ( 0.5000000 0.1224682 0.4391762), wk = 0.0032258 k( 244) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0032258 k( 245) = ( 0.5000000 0.1399637 0.4144339), wk = 0.0032258 k( 246) = ( 0.5000000 0.1487114 0.4020627), wk = 0.0032258 k( 247) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0032258 k( 248) = ( 0.5000000 0.1662069 0.3773204), wk = 0.0032258 k( 249) = ( 0.5000000 0.1749546 0.3649492), wk = 0.0032258 k( 250) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0032258 k( 251) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0032258 k( 252) = ( 0.5000000 0.2011978 0.3278358), wk = 0.0032258 k( 253) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0032258 k( 254) = ( 0.5000000 0.2186933 0.3030934), wk = 0.0032258 k( 255) = ( 0.5000000 0.2274410 0.2907223), wk = 0.0032258 k( 256) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0032258 k( 257) = ( 0.5000000 0.2449365 0.2659800), wk = 0.0032258 k( 258) = ( 0.5000000 0.2536842 0.2536088), wk = 0.0032258 k( 259) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0032258 k( 260) = ( 0.5000000 0.2711797 0.2288665), wk = 0.0032258 k( 261) = ( 0.5000000 0.2799274 0.2164953), wk = 0.0032258 k( 262) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032258 k( 263) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032258 k( 264) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0032258 k( 265) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0032258 k( 266) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0032258 k( 267) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0032258 k( 268) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0032258 k( 269) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0032258 k( 270) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0032258 k( 271) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0032258 k( 272) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0032258 k( 273) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0032258 k( 274) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0032258 k( 275) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0032258 k( 276) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0032258 k( 277) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0032258 k( 278) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0032258 k( 279) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0032258 k( 280) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0032258 k( 281) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0032258 k( 282) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0032258 k( 283) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0032258 k( 284) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0032258 k( 285) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0032258 k( 286) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0032258 k( 287) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0032258 k( 288) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0032258 k( 289) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0032258 k( 290) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0032258 k( 291) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0032258 k( 292) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0032258 k( 293) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0032258 k( 294) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0032258 k( 295) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0032258 k( 296) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0032258 k( 297) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0032258 k( 298) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0032258 k( 299) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0032258 k( 300) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0032258 k( 301) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0032258 k( 302) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0032258 k( 303) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0032258 k( 304) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0032258 k( 305) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0032258 k( 306) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0032258 k( 307) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0032258 k( 308) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0032258 k( 309) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0032258 k( 310) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0108696 0.0000000 0.0108696), wk = 0.0032258 k( 3) = ( 0.0217391 0.0000000 0.0217391), wk = 0.0032258 k( 4) = ( 0.0326087 0.0000000 0.0326087), wk = 0.0032258 k( 5) = ( 0.0434783 0.0000000 0.0434783), wk = 0.0032258 k( 6) = ( 0.0543478 0.0000000 0.0543478), wk = 0.0032258 k( 7) = ( 0.0652174 0.0000000 0.0652174), wk = 0.0032258 k( 8) = ( 0.0760870 0.0000000 0.0760870), wk = 0.0032258 k( 9) = ( 0.0869565 0.0000000 0.0869565), wk = 0.0032258 k( 10) = ( 0.0978261 0.0000000 0.0978261), wk = 0.0032258 k( 11) = ( 0.1086957 0.0000000 0.1086957), wk = 0.0032258 k( 12) = ( 0.1195652 -0.0000000 0.1195652), wk = 0.0032258 k( 13) = ( 0.1304348 0.0000000 0.1304348), wk = 0.0032258 k( 14) = ( 0.1413043 0.0000000 0.1413043), wk = 0.0032258 k( 15) = ( 0.1521739 0.0000000 0.1521739), wk = 0.0032258 k( 16) = ( 0.1630435 0.0000000 0.1630435), wk = 0.0032258 k( 17) = ( 0.1739130 0.0000000 0.1739130), wk = 0.0032258 k( 18) = ( 0.1847826 0.0000000 0.1847826), wk = 0.0032258 k( 19) = ( 0.1956522 0.0000000 0.1956522), wk = 0.0032258 k( 20) = ( 0.2065217 0.0000000 0.2065217), wk = 0.0032258 k( 21) = ( 0.2173913 0.0000000 0.2173913), wk = 0.0032258 k( 22) = ( 0.2282609 0.0000000 0.2282609), wk = 0.0032258 k( 23) = ( 0.2391304 0.0000000 0.2391304), wk = 0.0032258 k( 24) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0032258 k( 25) = ( 0.2608696 0.0000000 0.2608696), wk = 0.0032258 k( 26) = ( 0.2717391 0.0000000 0.2717391), wk = 0.0032258 k( 27) = ( 0.2826087 0.0000000 0.2826087), wk = 0.0032258 k( 28) = ( 0.2934783 0.0000000 0.2934783), wk = 0.0032258 k( 29) = ( 0.3043478 0.0000000 0.3043478), wk = 0.0032258 k( 30) = ( 0.3152174 0.0000000 0.3152174), wk = 0.0032258 k( 31) = ( 0.3260870 0.0000000 0.3260870), wk = 0.0032258 k( 32) = ( 0.3369565 0.0000000 0.3369565), wk = 0.0032258 k( 33) = ( 0.3478261 0.0000000 0.3478261), wk = 0.0032258 k( 34) = ( 0.3586956 0.0000000 0.3586957), wk = 0.0032258 k( 35) = ( 0.3695652 0.0000000 0.3695652), wk = 0.0032258 k( 36) = ( 0.3804348 0.0000000 0.3804348), wk = 0.0032258 k( 37) = ( 0.3913044 0.0000000 0.3913044), wk = 0.0032258 k( 38) = ( 0.4021739 0.0000000 0.4021739), wk = 0.0032258 k( 39) = ( 0.4130435 0.0000000 0.4130435), wk = 0.0032258 k( 40) = ( 0.4239130 0.0000000 0.4239130), wk = 0.0032258 k( 41) = ( 0.4347826 0.0000000 0.4347826), wk = 0.0032258 k( 42) = ( 0.4456522 -0.0000000 0.4456522), wk = 0.0032258 k( 43) = ( 0.4565217 0.0000000 0.4565217), wk = 0.0032258 k( 44) = ( 0.4673913 0.0000000 0.4673913), wk = 0.0032258 k( 45) = ( 0.4782609 0.0000000 0.4782609), wk = 0.0032258 k( 46) = ( 0.4891304 -0.0000000 0.4891304), wk = 0.0032258 k( 47) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 49) = ( 0.5000000 0.0108696 0.5108696), wk = 0.0032258 k( 50) = ( 0.5000000 0.0217391 0.5217391), wk = 0.0032258 k( 51) = ( 0.5000000 0.0326087 0.5326087), wk = 0.0032258 k( 52) = ( 0.5000000 0.0434783 0.5434783), wk = 0.0032258 k( 53) = ( 0.5000000 0.0543478 0.5543478), wk = 0.0032258 k( 54) = ( 0.5000000 0.0652174 0.5652174), wk = 0.0032258 k( 55) = ( 0.5000000 0.0760870 0.5760870), wk = 0.0032258 k( 56) = ( 0.5000000 0.0869565 0.5869565), wk = 0.0032258 k( 57) = ( 0.5000000 0.0978261 0.5978261), wk = 0.0032258 k( 58) = ( 0.5000000 0.1086957 0.6086957), wk = 0.0032258 k( 59) = ( 0.5000000 0.1195652 0.6195652), wk = 0.0032258 k( 60) = ( 0.5000000 0.1304348 0.6304348), wk = 0.0032258 k( 61) = ( 0.5000000 0.1413044 0.6413043), wk = 0.0032258 k( 62) = ( 0.5000000 0.1521739 0.6521739), wk = 0.0032258 k( 63) = ( 0.5000000 0.1630435 0.6630435), wk = 0.0032258 k( 64) = ( 0.5000000 0.1739130 0.6739130), wk = 0.0032258 k( 65) = ( 0.5000000 0.1847826 0.6847826), wk = 0.0032258 k( 66) = ( 0.5000000 0.1956522 0.6956522), wk = 0.0032258 k( 67) = ( 0.5000000 0.2065217 0.7065217), wk = 0.0032258 k( 68) = ( 0.5000000 0.2173913 0.7173913), wk = 0.0032258 k( 69) = ( 0.5000000 0.2282609 0.7282609), wk = 0.0032258 k( 70) = ( 0.5000000 0.2391304 0.7391304), wk = 0.0032258 k( 71) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258 k( 72) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258 k( 73) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0032258 k( 74) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0032258 k( 75) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0032258 k( 76) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0032258 k( 77) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0032258 k( 78) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0032258 k( 79) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0032258 k( 80) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0032258 k( 81) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0032258 k( 82) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0032258 k( 83) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0032258 k( 84) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0032258 k( 85) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0032258 k( 86) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0032258 k( 87) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0032258 k( 88) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0032258 k( 89) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032258 k( 90) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032258 k( 91) = ( 0.3673469 0.3673469 0.7346939), wk = 0.0032258 k( 92) = ( 0.3596939 0.3596939 0.7193878), wk = 0.0032258 k( 93) = ( 0.3520408 0.3520408 0.7040816), wk = 0.0032258 k( 94) = ( 0.3443878 0.3443878 0.6887755), wk = 0.0032258 k( 95) = ( 0.3367347 0.3367347 0.6734694), wk = 0.0032258 k( 96) = ( 0.3290816 0.3290816 0.6581633), wk = 0.0032258 k( 97) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0032258 k( 98) = ( 0.3137755 0.3137755 0.6275510), wk = 0.0032258 k( 99) = ( 0.3061224 0.3061224 0.6122449), wk = 0.0032258 k( 100) = ( 0.2984694 0.2984694 0.5969388), wk = 0.0032258 k( 101) = ( 0.2908163 0.2908163 0.5816326), wk = 0.0032258 k( 102) = ( 0.2831633 0.2831633 0.5663265), wk = 0.0032258 k( 103) = ( 0.2755102 0.2755102 0.5510204), wk = 0.0032258 k( 104) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0032258 k( 105) = ( 0.2602041 0.2602041 0.5204082), wk = 0.0032258 k( 106) = ( 0.2525510 0.2525510 0.5051020), wk = 0.0032258 k( 107) = ( 0.2448980 0.2448980 0.4897959), wk = 0.0032258 k( 108) = ( 0.2372449 0.2372449 0.4744898), wk = 0.0032258 k( 109) = ( 0.2295918 0.2295918 0.4591837), wk = 0.0032258 k( 110) = ( 0.2219388 0.2219388 0.4438776), wk = 0.0032258 k( 111) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0032258 k( 112) = ( 0.2066327 0.2066327 0.4132653), wk = 0.0032258 k( 113) = ( 0.1989796 0.1989796 0.3979592), wk = 0.0032258 k( 114) = ( 0.1913265 0.1913265 0.3826531), wk = 0.0032258 k( 115) = ( 0.1836735 0.1836735 0.3673469), wk = 0.0032258 k( 116) = ( 0.1760204 0.1760204 0.3520408), wk = 0.0032258 k( 117) = ( 0.1683673 0.1683673 0.3367347), wk = 0.0032258 k( 118) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0032258 k( 119) = ( 0.1530612 0.1530612 0.3061224), wk = 0.0032258 k( 120) = ( 0.1454082 0.1454082 0.2908163), wk = 0.0032258 k( 121) = ( 0.1377551 0.1377551 0.2755102), wk = 0.0032258 k( 122) = ( 0.1301020 0.1301020 0.2602041), wk = 0.0032258 k( 123) = ( 0.1224490 0.1224490 0.2448980), wk = 0.0032258 k( 124) = ( 0.1147959 0.1147959 0.2295918), wk = 0.0032258 k( 125) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0032258 k( 126) = ( 0.0994898 0.0994898 0.1989796), wk = 0.0032258 k( 127) = ( 0.0918367 0.0918367 0.1836735), wk = 0.0032258 k( 128) = ( 0.0841837 0.0841837 0.1683673), wk = 0.0032258 k( 129) = ( 0.0765306 0.0765306 0.1530612), wk = 0.0032258 k( 130) = ( 0.0688775 0.0688775 0.1377551), wk = 0.0032258 k( 131) = ( 0.0612245 0.0612245 0.1224490), wk = 0.0032258 k( 132) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0032258 k( 133) = ( 0.0459184 0.0459184 0.0918367), wk = 0.0032258 k( 134) = ( 0.0382653 0.0382653 0.0765306), wk = 0.0032258 k( 135) = ( 0.0306122 0.0306122 0.0612245), wk = 0.0032258 k( 136) = ( 0.0229592 0.0229592 0.0459184), wk = 0.0032258 k( 137) = ( 0.0153061 0.0153061 0.0306122), wk = 0.0032258 k( 138) = ( 0.0076531 0.0076531 0.0153061), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 141) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0032258 k( 142) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0032258 k( 143) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0032258 k( 144) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032258 k( 145) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0032258 k( 146) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0032258 k( 147) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0032258 k( 148) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032258 k( 149) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0032258 k( 150) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032258 k( 151) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0032258 k( 152) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032258 k( 153) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0032258 k( 154) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0032258 k( 155) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0032258 k( 156) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032258 k( 157) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0032258 k( 158) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0032258 k( 159) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0032258 k( 160) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 161) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0032258 k( 162) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0032258 k( 163) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0032258 k( 164) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032258 k( 165) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0032258 k( 166) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0032258 k( 167) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0032258 k( 168) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032258 k( 169) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0032258 k( 170) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032258 k( 171) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0032258 k( 172) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032258 k( 173) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0032258 k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0032258 k( 175) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0032258 k( 176) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032258 k( 177) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0032258 k( 178) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0032258 k( 179) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0032258 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 181) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 182) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0032258 k( 183) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0032258 k( 184) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0032258 k( 185) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0032258 k( 186) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0032258 k( 187) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0032258 k( 188) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0032258 k( 189) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0032258 k( 190) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0032258 k( 191) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0032258 k( 192) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0032258 k( 193) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0032258 k( 194) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0032258 k( 195) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0032258 k( 196) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0032258 k( 197) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0032258 k( 198) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0032258 k( 199) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0032258 k( 200) = ( 0.5818965 0.3362069 0.5818966), wk = 0.0032258 k( 201) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0032258 k( 202) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0032258 k( 203) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0032258 k( 204) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0032258 k( 205) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0032258 k( 206) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0032258 k( 207) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0032258 k( 208) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0032258 k( 209) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0032258 k( 210) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0032258 k( 211) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0032258 k( 212) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0032258 k( 213) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0032258 k( 214) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0032258 k( 215) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0032258 k( 216) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0032258 k( 217) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0032258 k( 218) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0032258 k( 219) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0032258 k( 220) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0032258 k( 221) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0032258 k( 222) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0032258 k( 223) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0032258 k( 224) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0032258 k( 225) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0032258 k( 226) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0032258 k( 227) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0032258 k( 228) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258 k( 229) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258 k( 230) = ( 0.5000000 0.2575758 0.7424242), wk = 0.0032258 k( 231) = ( 0.5000000 0.2651515 0.7348485), wk = 0.0032258 k( 232) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0032258 k( 233) = ( 0.5000000 0.2803030 0.7196970), wk = 0.0032258 k( 234) = ( 0.5000000 0.2878788 0.7121212), wk = 0.0032258 k( 235) = ( 0.5000000 0.2954545 0.7045455), wk = 0.0032258 k( 236) = ( 0.5000000 0.3030303 0.6969697), wk = 0.0032258 k( 237) = ( 0.5000000 0.3106061 0.6893939), wk = 0.0032258 k( 238) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0032258 k( 239) = ( 0.5000000 0.3257576 0.6742424), wk = 0.0032258 k( 240) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0032258 k( 241) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0032258 k( 242) = ( 0.5000000 0.3484849 0.6515152), wk = 0.0032258 k( 243) = ( 0.5000000 0.3560606 0.6439394), wk = 0.0032258 k( 244) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0032258 k( 245) = ( 0.5000000 0.3712121 0.6287879), wk = 0.0032258 k( 246) = ( 0.5000000 0.3787879 0.6212121), wk = 0.0032258 k( 247) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0032258 k( 248) = ( 0.5000000 0.3939394 0.6060606), wk = 0.0032258 k( 249) = ( 0.5000000 0.4015151 0.5984848), wk = 0.0032258 k( 250) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0032258 k( 251) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0032258 k( 252) = ( 0.5000000 0.4242424 0.5757576), wk = 0.0032258 k( 253) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0032258 k( 254) = ( 0.5000000 0.4393939 0.5606061), wk = 0.0032258 k( 255) = ( 0.5000000 0.4469697 0.5530303), wk = 0.0032258 k( 256) = ( 0.5000000 0.4545455 0.5454545), wk = 0.0032258 k( 257) = ( 0.5000000 0.4621212 0.5378788), wk = 0.0032258 k( 258) = ( 0.5000000 0.4696970 0.5303030), wk = 0.0032258 k( 259) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0032258 k( 260) = ( 0.5000000 0.4848485 0.5151515), wk = 0.0032258 k( 261) = ( 0.5000000 0.4924242 0.5075758), wk = 0.0032258 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 264) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0032258 k( 265) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0032258 k( 266) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0032258 k( 267) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0032258 k( 268) = ( 0.4784483 0.4784483 0.5431035), wk = 0.0032258 k( 269) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0032258 k( 270) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0032258 k( 271) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0032258 k( 272) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0032258 k( 273) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0032258 k( 274) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0032258 k( 275) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0032258 k( 276) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0032258 k( 277) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0032258 k( 278) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0032258 k( 279) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0032258 k( 280) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0032258 k( 281) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0032258 k( 282) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0032258 k( 283) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0032258 k( 284) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0032258 k( 285) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0032258 k( 286) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0032258 k( 287) = ( 0.3965517 0.3965517 0.7068966), wk = 0.0032258 k( 288) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0032258 k( 289) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0032258 k( 290) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0032258 k( 291) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0032258 k( 292) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032258 k( 293) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0032258 k( 294) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0032258 k( 295) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0032258 k( 296) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0032258 k( 297) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0032258 k( 298) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0032258 k( 299) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0032258 k( 300) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0032258 k( 301) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0032258 k( 302) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0032258 k( 303) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0032258 k( 304) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0032258 k( 305) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0032258 k( 306) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0032258 k( 307) = ( 0.5220588 0.0441177 0.5220588), wk = 0.0032258 k( 308) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0032258 k( 309) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0032258 k( 310) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 Dense grid: 53089 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 39957 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 286, 40) NL pseudopotentials 0.12 Mb ( 143, 56) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1475) G-vector shells 0.00 Mb ( 414) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 286, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.07 Mb ( 56, 2, 40) The potential is recalculated from file : ./Na3As.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.6 secs Computing kpt #: 4 total cpu time spent up to now is 1.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 3.0 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.8 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.3 secs Computing kpt #: 16 total cpu time spent up to now is 4.6 secs Computing kpt #: 17 total cpu time spent up to now is 4.9 secs Computing kpt #: 18 total cpu time spent up to now is 5.1 secs Computing kpt #: 19 total cpu time spent up to now is 5.4 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.0 secs Computing kpt #: 22 total cpu time spent up to now is 6.2 secs Computing kpt #: 23 total cpu time spent up to now is 6.5 secs Computing kpt #: 24 total cpu time spent up to now is 6.8 secs Computing kpt #: 25 total cpu time spent up to now is 7.1 secs Computing kpt #: 26 total cpu time spent up to now is 7.3 secs Computing kpt #: 27 total cpu time spent up to now is 7.6 secs Computing kpt #: 28 total cpu time spent up to now is 7.9 secs Computing kpt #: 29 total cpu time spent up to now is 8.2 secs Computing kpt #: 30 total cpu time spent up to now is 8.4 secs Computing kpt #: 31 total cpu time spent up to now is 8.7 secs Computing kpt #: 32 total cpu time spent up to now is 9.0 secs Computing kpt #: 33 total cpu time spent up to now is 9.3 secs Computing kpt #: 34 total cpu time spent up to now is 9.6 secs Computing kpt #: 35 total cpu time spent up to now is 9.9 secs Computing kpt #: 36 total cpu time spent up to now is 10.2 secs Computing kpt #: 37 total cpu time spent up to now is 10.4 secs Computing kpt #: 38 total cpu time spent up to now is 10.7 secs Computing kpt #: 39 total cpu time spent up to now is 11.0 secs Computing kpt #: 40 total cpu time spent up to now is 11.3 secs Computing kpt #: 41 total cpu time spent up to now is 11.6 secs Computing kpt #: 42 total cpu time spent up to now is 11.9 secs Computing kpt #: 43 total cpu time spent up to now is 12.2 secs Computing kpt #: 44 total cpu time spent up to now is 12.5 secs Computing kpt #: 45 total cpu time spent up to now is 12.8 secs Computing kpt #: 46 total cpu time spent up to now is 13.1 secs Computing kpt #: 47 total cpu time spent up to now is 13.4 secs Computing kpt #: 48 total cpu time spent up to now is 13.6 secs Computing kpt #: 49 total cpu time spent up to now is 13.9 secs Computing kpt #: 50 total cpu time spent up to now is 14.2 secs Computing kpt #: 51 total cpu time spent up to now is 14.5 secs Computing kpt #: 52 total cpu time spent up to now is 14.8 secs Computing kpt #: 53 total cpu time spent up to now is 15.0 secs Computing kpt #: 54 total cpu time spent up to now is 15.3 secs Computing kpt #: 55 total cpu time spent up to now is 15.6 secs Computing kpt #: 56 total cpu time spent up to now is 15.9 secs Computing kpt #: 57 total cpu time spent up to now is 16.1 secs Computing kpt #: 58 total cpu time spent up to now is 16.4 secs Computing kpt #: 59 total cpu time spent up to now is 16.6 secs Computing kpt #: 60 total cpu time spent up to now is 16.8 secs Computing kpt #: 61 total cpu time spent up to now is 17.1 secs Computing kpt #: 62 total cpu time spent up to now is 17.3 secs Computing kpt #: 63 total cpu time spent up to now is 17.5 secs Computing kpt #: 64 total cpu time spent up to now is 17.7 secs Computing kpt #: 65 total cpu time spent up to now is 18.0 secs Computing kpt #: 66 total cpu time spent up to now is 18.2 secs Computing kpt #: 67 total cpu time spent up to now is 18.4 secs Computing kpt #: 68 total cpu time spent up to now is 18.6 secs Computing kpt #: 69 total cpu time spent up to now is 18.8 secs Computing kpt #: 70 total cpu time spent up to now is 19.1 secs Computing kpt #: 71 total cpu time spent up to now is 19.3 secs Computing kpt #: 72 total cpu time spent up to now is 19.5 secs Computing kpt #: 73 total cpu time spent up to now is 19.7 secs Computing kpt #: 74 total cpu time spent up to now is 19.9 secs Computing kpt #: 75 total cpu time spent up to now is 20.1 secs Computing kpt #: 76 total cpu time spent up to now is 20.4 secs Computing kpt #: 77 total cpu time spent up to now is 20.6 secs Computing kpt #: 78 total cpu time spent up to now is 20.8 secs Computing kpt #: 79 total cpu time spent up to now is 21.0 secs Computing kpt #: 80 total cpu time spent up to now is 21.3 secs Computing kpt #: 81 total cpu time spent up to now is 21.5 secs Computing kpt #: 82 total cpu time spent up to now is 21.7 secs Computing kpt #: 83 total cpu time spent up to now is 22.0 secs Computing kpt #: 84 total cpu time spent up to now is 22.2 secs Computing kpt #: 85 total cpu time spent up to now is 22.5 secs Computing kpt #: 86 total cpu time spent up to now is 22.8 secs Computing kpt #: 87 total cpu time spent up to now is 23.0 secs Computing kpt #: 88 total cpu time spent up to now is 23.3 secs Computing kpt #: 89 total cpu time spent up to now is 23.6 secs Computing kpt #: 90 total cpu time spent up to now is 23.8 secs Computing kpt #: 91 total cpu time spent up to now is 24.1 secs Computing kpt #: 92 total cpu time spent up to now is 24.3 secs Computing kpt #: 93 total cpu time spent up to now is 24.6 secs Computing kpt #: 94 total cpu time spent up to now is 24.9 secs Computing kpt #: 95 total cpu time spent up to now is 25.1 secs Computing kpt #: 96 total cpu time spent up to now is 25.4 secs Computing kpt #: 97 total cpu time spent up to now is 25.6 secs Computing kpt #: 98 total cpu time spent up to now is 25.8 secs Computing kpt #: 99 total cpu time spent up to now is 26.0 secs Computing kpt #: 100 total cpu time spent up to now is 26.3 secs Computing kpt #: 101 total cpu time spent up to now is 26.5 secs Computing kpt #: 102 total cpu time spent up to now is 26.7 secs Computing kpt #: 103 total cpu time spent up to now is 27.0 secs Computing kpt #: 104 total cpu time spent up to now is 27.2 secs Computing kpt #: 105 total cpu time spent up to now is 27.4 secs Computing kpt #: 106 total cpu time spent up to now is 27.6 secs Computing kpt #: 107 total cpu time spent up to now is 27.9 secs Computing kpt #: 108 total cpu time spent up to now is 28.1 secs Computing kpt #: 109 total cpu time spent up to now is 28.3 secs Computing kpt #: 110 total cpu time spent up to now is 28.5 secs Computing kpt #: 111 total cpu time spent up to now is 28.8 secs Computing kpt #: 112 total cpu time spent up to now is 29.0 secs Computing kpt #: 113 total cpu time spent up to now is 29.2 secs Computing kpt #: 114 total cpu time spent up to now is 29.5 secs Computing kpt #: 115 total cpu time spent up to now is 29.7 secs Computing kpt #: 116 total cpu time spent up to now is 30.0 secs Computing kpt #: 117 total cpu time spent up to now is 30.2 secs Computing kpt #: 118 total cpu time spent up to now is 30.5 secs Computing kpt #: 119 total cpu time spent up to now is 30.8 secs Computing kpt #: 120 total cpu time spent up to now is 31.0 secs Computing kpt #: 121 total cpu time spent up to now is 31.3 secs Computing kpt #: 122 total cpu time spent up to now is 31.6 secs Computing kpt #: 123 total cpu time spent up to now is 31.9 secs Computing kpt #: 124 total cpu time spent up to now is 32.1 secs Computing kpt #: 125 total cpu time spent up to now is 32.3 secs Computing kpt #: 126 total cpu time spent up to now is 32.6 secs Computing kpt #: 127 total cpu time spent up to now is 32.8 secs Computing kpt #: 128 total cpu time spent up to now is 33.0 secs Computing kpt #: 129 total cpu time spent up to now is 33.3 secs Computing kpt #: 130 total cpu time spent up to now is 33.5 secs Computing kpt #: 131 total cpu time spent up to now is 33.7 secs Computing kpt #: 132 total cpu time spent up to now is 33.9 secs Computing kpt #: 133 total cpu time spent up to now is 34.2 secs Computing kpt #: 134 total cpu time spent up to now is 34.4 secs Computing kpt #: 135 total cpu time spent up to now is 34.6 secs Computing kpt #: 136 total cpu time spent up to now is 34.8 secs Computing kpt #: 137 total cpu time spent up to now is 35.7 secs Computing kpt #: 138 total cpu time spent up to now is 35.9 secs Computing kpt #: 139 total cpu time spent up to now is 36.1 secs Computing kpt #: 140 total cpu time spent up to now is 36.3 secs Computing kpt #: 141 total cpu time spent up to now is 36.5 secs Computing kpt #: 142 total cpu time spent up to now is 36.6 secs Computing kpt #: 143 total cpu time spent up to now is 36.8 secs Computing kpt #: 144 total cpu time spent up to now is 37.1 secs Computing kpt #: 145 total cpu time spent up to now is 37.3 secs Computing kpt #: 146 total cpu time spent up to now is 37.5 secs Computing kpt #: 147 total cpu time spent up to now is 37.7 secs Computing kpt #: 148 total cpu time spent up to now is 37.9 secs Computing kpt #: 149 total cpu time spent up to now is 38.1 secs Computing kpt #: 150 total cpu time spent up to now is 38.4 secs Computing kpt #: 151 total cpu time spent up to now is 38.6 secs Computing kpt #: 152 total cpu time spent up to now is 38.8 secs Computing kpt #: 153 total cpu time spent up to now is 39.1 secs Computing kpt #: 154 total cpu time spent up to now is 39.3 secs Computing kpt #: 155 total cpu time spent up to now is 39.5 secs Computing kpt #: 156 total cpu time spent up to now is 39.8 secs Computing kpt #: 157 total cpu time spent up to now is 40.0 secs Computing kpt #: 158 total cpu time spent up to now is 40.3 secs Computing kpt #: 159 total cpu time spent up to now is 40.5 secs Computing kpt #: 160 total cpu time spent up to now is 40.7 secs Computing kpt #: 161 total cpu time spent up to now is 41.0 secs Computing kpt #: 162 total cpu time spent up to now is 41.2 secs Computing kpt #: 163 total cpu time spent up to now is 41.4 secs Computing kpt #: 164 total cpu time spent up to now is 41.7 secs Computing kpt #: 165 total cpu time spent up to now is 41.9 secs Computing kpt #: 166 total cpu time spent up to now is 42.1 secs Computing kpt #: 167 total cpu time spent up to now is 42.4 secs Computing kpt #: 168 total cpu time spent up to now is 42.6 secs Computing kpt #: 169 total cpu time spent up to now is 42.8 secs Computing kpt #: 170 total cpu time spent up to now is 43.0 secs Computing kpt #: 171 total cpu time spent up to now is 43.2 secs Computing kpt #: 172 total cpu time spent up to now is 43.4 secs Computing kpt #: 173 total cpu time spent up to now is 43.6 secs Computing kpt #: 174 total cpu time spent up to now is 43.8 secs Computing kpt #: 175 total cpu time spent up to now is 44.0 secs Computing kpt #: 176 total cpu time spent up to now is 44.2 secs Computing kpt #: 177 total cpu time spent up to now is 44.4 secs Computing kpt #: 178 total cpu time spent up to now is 44.6 secs Computing kpt #: 179 total cpu time spent up to now is 44.9 secs Computing kpt #: 180 total cpu time spent up to now is 45.1 secs Computing kpt #: 181 total cpu time spent up to now is 45.2 secs Computing kpt #: 182 total cpu time spent up to now is 45.4 secs Computing kpt #: 183 total cpu time spent up to now is 45.6 secs Computing kpt #: 184 total cpu time spent up to now is 45.9 secs Computing kpt #: 185 total cpu time spent up to now is 46.1 secs Computing kpt #: 186 total cpu time spent up to now is 46.3 secs Computing kpt #: 187 total cpu time spent up to now is 46.5 secs Computing kpt #: 188 total cpu time spent up to now is 46.7 secs Computing kpt #: 189 total cpu time spent up to now is 46.9 secs Computing kpt #: 190 total cpu time spent up to now is 47.2 secs Computing kpt #: 191 total cpu time spent up to now is 47.4 secs Computing kpt #: 192 total cpu time spent up to now is 47.6 secs Computing kpt #: 193 total cpu time spent up to now is 47.9 secs Computing kpt #: 194 total cpu time spent up to now is 48.1 secs Computing kpt #: 195 total cpu time spent up to now is 48.3 secs Computing kpt #: 196 total cpu time spent up to now is 48.6 secs Computing kpt #: 197 total cpu time spent up to now is 48.8 secs Computing kpt #: 198 total cpu time spent up to now is 49.0 secs Computing kpt #: 199 total cpu time spent up to now is 49.3 secs Computing kpt #: 200 total cpu time spent up to now is 49.5 secs Computing kpt #: 201 total cpu time spent up to now is 49.8 secs Computing kpt #: 202 total cpu time spent up to now is 50.0 secs Computing kpt #: 203 total cpu time spent up to now is 50.3 secs Computing kpt #: 204 total cpu time spent up to now is 50.5 secs Computing kpt #: 205 total cpu time spent up to now is 50.7 secs Computing kpt #: 206 total cpu time spent up to now is 51.0 secs Computing kpt #: 207 total cpu time spent up to now is 51.3 secs Computing kpt #: 208 total cpu time spent up to now is 51.5 secs Computing kpt #: 209 total cpu time spent up to now is 51.8 secs Computing kpt #: 210 total cpu time spent up to now is 52.0 secs Computing kpt #: 211 total cpu time spent up to now is 52.3 secs Computing kpt #: 212 total cpu time spent up to now is 52.5 secs Computing kpt #: 213 total cpu time spent up to now is 52.8 secs Computing kpt #: 214 total cpu time spent up to now is 53.1 secs Computing kpt #: 215 total cpu time spent up to now is 53.4 secs Computing kpt #: 216 total cpu time spent up to now is 53.6 secs Computing kpt #: 217 total cpu time spent up to now is 53.8 secs Computing kpt #: 218 total cpu time spent up to now is 54.1 secs Computing kpt #: 219 total cpu time spent up to now is 54.3 secs Computing kpt #: 220 total cpu time spent up to now is 54.5 secs Computing kpt #: 221 total cpu time spent up to now is 54.8 secs Computing kpt #: 222 total cpu time spent up to now is 55.0 secs Computing kpt #: 223 total cpu time spent up to now is 55.2 secs Computing kpt #: 224 total cpu time spent up to now is 55.4 secs Computing kpt #: 225 total cpu time spent up to now is 55.6 secs Computing kpt #: 226 total cpu time spent up to now is 55.9 secs Computing kpt #: 227 total cpu time spent up to now is 56.1 secs Computing kpt #: 228 total cpu time spent up to now is 56.3 secs Computing kpt #: 229 total cpu time spent up to now is 56.5 secs Computing kpt #: 230 total cpu time spent up to now is 56.7 secs Computing kpt #: 231 total cpu time spent up to now is 56.9 secs Computing kpt #: 232 total cpu time spent up to now is 57.1 secs Computing kpt #: 233 total cpu time spent up to now is 57.4 secs Computing kpt #: 234 total cpu time spent up to now is 57.6 secs Computing kpt #: 235 total cpu time spent up to now is 57.8 secs Computing kpt #: 236 total cpu time spent up to now is 58.0 secs Computing kpt #: 237 total cpu time spent up to now is 58.2 secs Computing kpt #: 238 total cpu time spent up to now is 58.5 secs Computing kpt #: 239 total cpu time spent up to now is 58.7 secs Computing kpt #: 240 total cpu time spent up to now is 58.9 secs Computing kpt #: 241 total cpu time spent up to now is 59.2 secs Computing kpt #: 242 total cpu time spent up to now is 59.4 secs Computing kpt #: 243 total cpu time spent up to now is 59.7 secs Computing kpt #: 244 total cpu time spent up to now is 59.9 secs Computing kpt #: 245 total cpu time spent up to now is 60.1 secs Computing kpt #: 246 total cpu time spent up to now is 60.4 secs Computing kpt #: 247 total cpu time spent up to now is 60.6 secs Computing kpt #: 248 total cpu time spent up to now is 60.8 secs Computing kpt #: 249 total cpu time spent up to now is 61.0 secs Computing kpt #: 250 total cpu time spent up to now is 61.2 secs Computing kpt #: 251 total cpu time spent up to now is 61.5 secs Computing kpt #: 252 total cpu time spent up to now is 61.7 secs Computing kpt #: 253 total cpu time spent up to now is 61.9 secs Computing kpt #: 254 total cpu time spent up to now is 62.1 secs Computing kpt #: 255 total cpu time spent up to now is 62.3 secs Computing kpt #: 256 total cpu time spent up to now is 62.6 secs Computing kpt #: 257 total cpu time spent up to now is 62.8 secs Computing kpt #: 258 total cpu time spent up to now is 63.0 secs Computing kpt #: 259 total cpu time spent up to now is 63.2 secs Computing kpt #: 260 total cpu time spent up to now is 63.4 secs Computing kpt #: 261 total cpu time spent up to now is 63.6 secs Computing kpt #: 262 total cpu time spent up to now is 63.8 secs Computing kpt #: 263 total cpu time spent up to now is 64.0 secs Computing kpt #: 264 total cpu time spent up to now is 64.2 secs Computing kpt #: 265 total cpu time spent up to now is 64.4 secs Computing kpt #: 266 total cpu time spent up to now is 64.6 secs Computing kpt #: 267 total cpu time spent up to now is 64.8 secs Computing kpt #: 268 total cpu time spent up to now is 65.0 secs Computing kpt #: 269 total cpu time spent up to now is 65.2 secs Computing kpt #: 270 total cpu time spent up to now is 65.4 secs Computing kpt #: 271 total cpu time spent up to now is 65.6 secs Computing kpt #: 272 total cpu time spent up to now is 65.8 secs Computing kpt #: 273 total cpu time spent up to now is 66.1 secs Computing kpt #: 274 total cpu time spent up to now is 66.3 secs Computing kpt #: 275 total cpu time spent up to now is 66.5 secs Computing kpt #: 276 total cpu time spent up to now is 66.8 secs Computing kpt #: 277 total cpu time spent up to now is 67.0 secs Computing kpt #: 278 total cpu time spent up to now is 67.2 secs Computing kpt #: 279 total cpu time spent up to now is 67.5 secs Computing kpt #: 280 total cpu time spent up to now is 67.7 secs Computing kpt #: 281 total cpu time spent up to now is 67.9 secs Computing kpt #: 282 total cpu time spent up to now is 68.2 secs Computing kpt #: 283 total cpu time spent up to now is 68.4 secs Computing kpt #: 284 total cpu time spent up to now is 68.7 secs Computing kpt #: 285 total cpu time spent up to now is 68.9 secs Computing kpt #: 286 total cpu time spent up to now is 69.2 secs Computing kpt #: 287 total cpu time spent up to now is 69.4 secs Computing kpt #: 288 total cpu time spent up to now is 69.7 secs Computing kpt #: 289 total cpu time spent up to now is 69.9 secs Computing kpt #: 290 total cpu time spent up to now is 70.2 secs Computing kpt #: 291 total cpu time spent up to now is 70.5 secs Computing kpt #: 292 total cpu time spent up to now is 70.7 secs Computing kpt #: 293 total cpu time spent up to now is 71.0 secs Computing kpt #: 294 total cpu time spent up to now is 71.2 secs Computing kpt #: 295 total cpu time spent up to now is 71.5 secs Computing kpt #: 296 total cpu time spent up to now is 71.7 secs Computing kpt #: 297 total cpu time spent up to now is 72.0 secs Computing kpt #: 298 total cpu time spent up to now is 72.3 secs Computing kpt #: 299 total cpu time spent up to now is 72.5 secs Computing kpt #: 300 total cpu time spent up to now is 72.8 secs Computing kpt #: 301 total cpu time spent up to now is 73.1 secs Computing kpt #: 302 total cpu time spent up to now is 73.4 secs Computing kpt #: 303 total cpu time spent up to now is 73.6 secs Computing kpt #: 304 total cpu time spent up to now is 73.9 secs Computing kpt #: 305 total cpu time spent up to now is 74.2 secs Computing kpt #: 306 total cpu time spent up to now is 74.5 secs Computing kpt #: 307 total cpu time spent up to now is 74.8 secs Computing kpt #: 308 total cpu time spent up to now is 75.0 secs Computing kpt #: 309 total cpu time spent up to now is 75.3 secs Computing kpt #: 310 total cpu time spent up to now is 75.6 secs ethr = 3.13E-08, avg # of iterations = 12.3 total cpu time spent up to now is 75.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5029 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9535 -19.9535 -19.1032 -19.1032 -19.0611 -19.0611 -18.9260 -18.9260 -18.9260 -18.9260 -18.8828 -18.8828 -18.8828 -18.8828 -4.7709 -4.7709 4.4341 4.4341 4.6778 4.6778 4.6778 4.6778 5.2632 5.2632 9.4803 9.4803 9.4957 9.4957 9.4957 9.4957 k = 0.0109-0.0063 0.0089 ( 5001 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0096 -47.0096 -20.1315 -20.1315 -19.9534 -19.9534 -19.9534 -19.9534 -19.1030 -19.1030 -19.0611 -19.0611 -18.9259 -18.9259 -18.9258 -18.9258 -18.8829 -18.8829 -18.8828 -18.8828 -4.7703 -4.7703 4.4278 4.4278 4.6627 4.6627 4.6763 4.6763 5.2850 5.2850 9.4808 9.4808 9.4953 9.4953 9.4986 9.4986 k = 0.0217-0.0126 0.0177 ( 4993 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0096 -47.0096 -20.1314 -20.1314 -19.9534 -19.9534 -19.9534 -19.9534 -19.1029 -19.1029 -19.0612 -19.0612 -18.9258 -18.9258 -18.9256 -18.9256 -18.8830 -18.8830 -18.8828 -18.8828 -4.7684 -4.7684 4.4073 4.4073 4.6256 4.6256 4.6719 4.6719 5.3435 5.3435 9.4760 9.4760 9.5001 9.5001 9.5074 9.5074 k = 0.0326-0.0188 0.0266 ( 4993 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9534 -19.9534 -19.1028 -19.1028 -19.0613 -19.0613 -18.9258 -18.9258 -18.9254 -18.9254 -18.8833 -18.8833 -18.8828 -18.8828 -4.7653 -4.7653 4.3686 4.3686 4.5830 4.5830 4.6645 4.6645 5.4263 5.4263 9.4623 9.4623 9.5140 9.5140 9.5218 9.5218 k = 0.0435-0.0251 0.0355 ( 4993 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9534 -19.9534 -19.1026 -19.1026 -19.0615 -19.0615 -18.9258 -18.9258 -18.9252 -18.9252 -18.8836 -18.8836 -18.8828 -18.8828 -4.7610 -4.7610 4.3101 4.3101 4.5462 4.5462 4.6542 4.6542 5.5238 5.5238 9.4419 9.4419 9.5348 9.5348 9.5420 9.5420 k = 0.0543-0.0314 0.0444 ( 4993 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0097 -47.0097 -20.1315 -20.1315 -19.9536 -19.9536 -19.9534 -19.9534 -19.1024 -19.1024 -19.0616 -19.0616 -18.9258 -18.9258 -18.9248 -18.9248 -18.8840 -18.8840 -18.8828 -18.8828 -4.7555 -4.7555 4.2358 4.2358 4.5168 4.5168 4.6413 4.6413 5.6302 5.6302 9.4159 9.4159 9.5616 9.5616 9.5676 9.5676 k = 0.0652-0.0377 0.0532 ( 4985 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0097 -47.0097 -20.1315 -20.1315 -19.9536 -19.9536 -19.9534 -19.9534 -19.1022 -19.1022 -19.0618 -19.0618 -18.9258 -18.9258 -18.9244 -18.9244 -18.8844 -18.8844 -18.8827 -18.8827 -4.7488 -4.7488 4.1520 4.1520 4.4918 4.4918 4.6257 4.6257 5.7423 5.7423 9.3847 9.3847 9.5941 9.5941 9.5985 9.5985 k = 0.0761-0.0439 0.0621 ( 4985 PWs) bands (ev): -48.0757 -48.0757 -47.0162 -47.0162 -47.0098 -47.0098 -20.1315 -20.1315 -19.9537 -19.9537 -19.9534 -19.9534 -19.1020 -19.1020 -19.0621 -19.0621 -18.9258 -18.9258 -18.9239 -18.9239 -18.8850 -18.8850 -18.8827 -18.8827 -4.7409 -4.7409 4.0633 4.0633 4.4685 4.4685 4.6078 4.6078 5.8579 5.8579 9.3489 9.3489 9.6320 9.6320 9.6345 9.6345 k = 0.0870-0.0502 0.0710 ( 4981 PWs) bands (ev): -48.0757 -48.0757 -47.0162 -47.0162 -47.0098 -47.0098 -20.1316 -20.1316 -19.9538 -19.9538 -19.9534 -19.9534 -19.1017 -19.1017 -19.0624 -19.0624 -18.9258 -18.9258 -18.9234 -18.9234 -18.8857 -18.8857 -18.8826 -18.8826 -4.7319 -4.7319 3.9727 3.9727 4.4453 4.4453 4.5875 4.5875 5.9757 5.9757 9.3089 9.3089 9.6750 9.6750 9.6754 9.6754 k = 0.0978-0.0565 0.0799 ( 4981 PWs) bands (ev): -48.0757 -48.0757 -47.0162 -47.0162 -47.0098 -47.0098 -20.1316 -20.1316 -19.9539 -19.9539 -19.9535 -19.9535 -19.1014 -19.1014 -19.0628 -19.0628 -18.9258 -18.9258 -18.9227 -18.9227 -18.8864 -18.8864 -18.8826 -18.8826 -4.7218 -4.7218 3.8816 3.8816 4.4215 4.4215 4.5652 4.5652 6.0946 6.0946 9.2651 9.2651 9.7208 9.7208 9.7228 9.7228 k = 0.1087-0.0628 0.0887 ( 4985 PWs) bands (ev): -48.0757 -48.0757 -47.0161 -47.0161 -47.0099 -47.0099 -20.1317 -20.1317 -19.9540 -19.9540 -19.9535 -19.9535 -19.1010 -19.1010 -19.0632 -19.0632 -18.9259 -18.9259 -18.9221 -18.9221 -18.8872 -18.8872 -18.8825 -18.8825 -4.7106 -4.7106 3.7911 3.7911 4.3967 4.3967 4.5411 4.5411 6.2136 6.2136 9.2181 9.2181 9.7705 9.7705 9.7751 9.7751 k = 0.1196-0.0690 0.0976 ( 4981 PWs) bands (ev): -48.0757 -48.0757 -47.0161 -47.0161 -47.0099 -47.0099 -20.1317 -20.1317 -19.9542 -19.9542 -19.9535 -19.9535 -19.1007 -19.1007 -19.0636 -19.0636 -18.9259 -18.9259 -18.9214 -18.9214 -18.8880 -18.8880 -18.8825 -18.8825 -4.6984 -4.6984 3.7017 3.7017 4.3709 4.3709 4.5153 4.5153 6.3316 6.3316 9.1683 9.1683 9.7799 9.7799 9.8245 9.8245 k = 0.1304-0.0753 0.1065 ( 4965 PWs) bands (ev): -48.0756 -48.0756 -47.0160 -47.0160 -47.0100 -47.0100 -20.1317 -20.1317 -19.9543 -19.9543 -19.9534 -19.9534 -19.1003 -19.1003 -19.0640 -19.0640 -18.9259 -18.9259 -18.9205 -18.9205 -18.8888 -18.8888 -18.8823 -18.8823 -4.6852 -4.6852 3.6141 3.6141 4.3441 4.3441 4.4880 4.4880 6.4476 6.4476 9.1161 9.1161 9.6502 9.6502 9.8817 9.8817 k = 0.1413-0.0816 0.1154 ( 4957 PWs) bands (ev): -48.0756 -48.0756 -47.0159 -47.0159 -47.0100 -47.0100 -20.1317 -20.1317 -19.9544 -19.9544 -19.9534 -19.9534 -19.0998 -19.0998 -19.0645 -19.0645 -18.9259 -18.9259 -18.9195 -18.9195 -18.8898 -18.8898 -18.8823 -18.8823 -4.6712 -4.6712 3.5283 3.5283 4.3163 4.3163 4.4596 4.4596 6.5601 6.5601 9.0621 9.0621 9.5273 9.5273 9.9424 9.9424 k = 0.1522-0.0879 0.1242 ( 4957 PWs) bands (ev): -48.0756 -48.0756 -47.0159 -47.0159 -47.0101 -47.0101 -20.1318 -20.1318 -19.9546 -19.9546 -19.9534 -19.9534 -19.0993 -19.0993 -19.0651 -19.0651 -18.9259 -18.9259 -18.9186 -18.9186 -18.8909 -18.8909 -18.8822 -18.8822 -4.6563 -4.6563 3.4447 3.4447 4.2877 4.2877 4.4301 4.4301 6.6677 6.6677 9.0066 9.0066 9.4130 9.4130 10.0062 10.0062 k = 0.1630-0.0941 0.1331 ( 4957 PWs) bands (ev): -48.0756 -48.0756 -47.0158 -47.0158 -47.0102 -47.0102 -20.1319 -20.1319 -19.9548 -19.9548 -19.9535 -19.9535 -19.0989 -19.0989 -19.0657 -19.0657 -18.9259 -18.9259 -18.9176 -18.9176 -18.8919 -18.8919 -18.8822 -18.8822 -4.6406 -4.6406 3.3633 3.3633 4.2584 4.2584 4.3998 4.3998 6.7683 6.7683 8.9500 8.9500 9.3096 9.3096 10.0726 10.0726 k = 0.1739-0.1004 0.1420 ( 4953 PWs) bands (ev): -48.0756 -48.0756 -47.0158 -47.0158 -47.0102 -47.0102 -20.1319 -20.1319 -19.9549 -19.9549 -19.9535 -19.9535 -19.0984 -19.0984 -19.0663 -19.0663 -18.9260 -18.9260 -18.9166 -18.9166 -18.8930 -18.8930 -18.8821 -18.8821 -4.6241 -4.6241 3.2845 3.2845 4.2286 4.2286 4.3688 4.3688 6.8595 6.8595 8.8926 8.8926 9.2195 9.2195 10.1414 10.1414 k = 0.1848-0.1067 0.1509 ( 4969 PWs) bands (ev): -48.0756 -48.0756 -47.0157 -47.0157 -47.0103 -47.0103 -20.1320 -20.1320 -19.9552 -19.9552 -19.9536 -19.9536 -19.0980 -19.0980 -19.0670 -19.0670 -18.9261 -18.9261 -18.9156 -18.9156 -18.8941 -18.8941 -18.8821 -18.8821 -4.6070 -4.6070 3.2081 3.2081 4.1984 4.1984 4.3374 4.3374 6.9384 6.9384 8.8348 8.8348 9.1458 9.1458 10.2123 10.2123 k = 0.1957-0.1130 0.1597 ( 4977 PWs) bands (ev): -48.0756 -48.0756 -47.0157 -47.0157 -47.0104 -47.0104 -20.1321 -20.1321 -19.9554 -19.9554 -19.9536 -19.9536 -19.0975 -19.0975 -19.0677 -19.0677 -18.9261 -18.9261 -18.9145 -18.9145 -18.8954 -18.8954 -18.8820 -18.8820 -4.5893 -4.5893 3.1344 3.1344 4.1680 4.1680 4.3058 4.3058 7.0021 7.0021 8.7770 8.7770 9.0916 9.0916 10.2849 10.2849 k = 0.2065-0.1192 0.1686 ( 4985 PWs) bands (ev): -48.0756 -48.0756 -47.0156 -47.0156 -47.0105 -47.0105 -20.1322 -20.1322 -19.9556 -19.9556 -19.9537 -19.9537 -19.0970 -19.0970 -19.0685 -19.0685 -18.9261 -18.9261 -18.9134 -18.9134 -18.8966 -18.8966 -18.8820 -18.8820 -4.5711 -4.5711 3.0634 3.0634 4.1375 4.1375 4.2740 4.2740 7.0476 7.0476 8.7193 8.7193 9.0600 9.0600 10.3590 10.3590 k = 0.2174-0.1255 0.1775 ( 4977 PWs) bands (ev): -48.0756 -48.0756 -47.0155 -47.0155 -47.0105 -47.0105 -20.1323 -20.1323 -19.9557 -19.9557 -19.9537 -19.9537 -19.0965 -19.0965 -19.0692 -19.0692 -18.9262 -18.9262 -18.9122 -18.9122 -18.8978 -18.8978 -18.8819 -18.8819 -4.5524 -4.5524 2.9952 2.9952 4.1071 4.1071 4.2423 4.2423 7.0729 7.0729 8.6621 8.6621 9.0532 9.0532 10.4343 10.4343 k = 0.2283-0.1318 0.1864 ( 4965 PWs) bands (ev): -48.0755 -48.0755 -47.0154 -47.0154 -47.0106 -47.0106 -20.1323 -20.1323 -19.9559 -19.9559 -19.9537 -19.9537 -19.0959 -19.0959 -19.0699 -19.0699 -18.9261 -18.9261 -18.9110 -18.9110 -18.8989 -18.8989 -18.8818 -18.8818 -4.5334 -4.5334 2.9298 2.9298 4.0769 4.0769 4.2109 4.2109 7.0772 7.0772 8.6056 8.6056 9.0720 9.0720 10.5105 10.5105 k = 0.2391-0.1381 0.1952 ( 4985 PWs) bands (ev): -48.0755 -48.0755 -47.0154 -47.0154 -47.0107 -47.0107 -20.1324 -20.1324 -19.9561 -19.9561 -19.9538 -19.9538 -19.0954 -19.0954 -19.0708 -19.0708 -18.9262 -18.9262 -18.9099 -18.9099 -18.9002 -18.9002 -18.8818 -18.8818 -4.5141 -4.5141 2.8672 2.8672 4.0470 4.0470 4.1797 4.1797 7.0615 7.0615 8.5500 8.5500 9.1155 9.1155 10.5874 10.5874 k = 0.2500-0.1443 0.2041 ( 4985 PWs) bands (ev): -48.0755 -48.0755 -47.0153 -47.0153 -47.0108 -47.0108 -20.1325 -20.1325 -19.9563 -19.9563 -19.9539 -19.9539 -19.0949 -19.0949 -19.0716 -19.0716 -18.9262 -18.9262 -18.9086 -18.9086 -18.9014 -18.9014 -18.8817 -18.8817 -4.4947 -4.4947 2.8074 2.8074 4.0175 4.0175 4.1491 4.1491 7.0281 7.0281 8.4954 8.4954 9.1817 9.1817 10.6647 10.6647 k = 0.2609-0.1506 0.2130 ( 4985 PWs) bands (ev): -48.0755 -48.0755 -47.0153 -47.0153 -47.0109 -47.0109 -20.1326 -20.1326 -19.9565 -19.9565 -19.9539 -19.9539 -19.0944 -19.0944 -19.0724 -19.0724 -18.9262 -18.9262 -18.9074 -18.9074 -18.9026 -18.9026 -18.8816 -18.8816 -4.4751 -4.4751 2.7506 2.7506 3.9886 3.9886 4.1190 4.1190 6.9802 6.9802 8.4422 8.4422 9.2674 9.2674 10.7424 10.7424 k = 0.2717-0.1569 0.2219 ( 4989 PWs) bands (ev): -48.0755 -48.0755 -47.0152 -47.0152 -47.0109 -47.0109 -20.1327 -20.1327 -19.9568 -19.9568 -19.9539 -19.9539 -19.0940 -19.0940 -19.0732 -19.0732 -18.9262 -18.9262 -18.9063 -18.9063 -18.9037 -18.9037 -18.8816 -18.8816 -4.4556 -4.4556 2.6966 2.6966 3.9604 3.9604 4.0897 4.0897 6.9210 6.9210 8.3904 8.3904 9.3694 9.3694 10.8200 10.8200 k = 0.2826-0.1632 0.2307 ( 4981 PWs) bands (ev): -48.0755 -48.0755 -47.0151 -47.0151 -47.0110 -47.0110 -20.1327 -20.1327 -19.9569 -19.9569 -19.9539 -19.9539 -19.0934 -19.0934 -19.0741 -19.0741 -18.9262 -18.9262 -18.9050 -18.9050 -18.9049 -18.9049 -18.8815 -18.8815 -4.4361 -4.4361 2.6455 2.6455 3.9329 3.9329 4.0611 4.0611 6.8538 6.8538 8.3402 8.3402 9.4847 9.4847 10.8975 10.8975 k = 0.2935-0.1694 0.2396 ( 4985 PWs) bands (ev): -48.0755 -48.0755 -47.0150 -47.0150 -47.0111 -47.0111 -20.1328 -20.1328 -19.9571 -19.9571 -19.9540 -19.9540 -19.0930 -19.0930 -19.0749 -19.0749 -18.9263 -18.9263 -18.9060 -18.9060 -18.9038 -18.9038 -18.8814 -18.8814 -4.4169 -4.4169 2.5974 2.5974 3.9063 3.9063 4.0335 4.0335 6.7811 6.7811 8.2917 8.2917 9.6106 9.6106 10.9747 10.9747 k = 0.3043-0.1757 0.2485 ( 4977 PWs) bands (ev): -48.0755 -48.0755 -47.0150 -47.0150 -47.0112 -47.0112 -20.1329 -20.1329 -19.9573 -19.9573 -19.9540 -19.9540 -19.0925 -19.0925 -19.0757 -19.0757 -18.9263 -18.9263 -18.9070 -18.9070 -18.9026 -18.9026 -18.8814 -18.8814 -4.3979 -4.3979 2.5520 2.5520 3.8806 3.8806 4.0068 4.0068 6.7051 6.7051 8.2451 8.2451 9.7451 9.7451 11.0513 11.0513 k = 0.3152-0.1820 0.2574 ( 5001 PWs) bands (ev): -48.0755 -48.0755 -47.0149 -47.0149 -47.0113 -47.0113 -20.1330 -20.1330 -19.9576 -19.9576 -19.9541 -19.9541 -19.0921 -19.0921 -19.0766 -19.0766 -18.9264 -18.9264 -18.9081 -18.9081 -18.9015 -18.9015 -18.8814 -18.8814 -4.3792 -4.3792 2.5096 2.5096 3.8559 3.8559 3.9812 3.9812 6.6277 6.6277 8.2004 8.2004 9.8865 9.8865 11.1272 11.1272 k = 0.3261-0.1883 0.2662 ( 5001 PWs) bands (ev): -48.0755 -48.0755 -47.0148 -47.0148 -47.0113 -47.0113 -20.1331 -20.1331 -19.9578 -19.9578 -19.9541 -19.9541 -19.0917 -19.0917 -19.0774 -19.0774 -18.9264 -18.9264 -18.9091 -18.9091 -18.9004 -18.9004 -18.8813 -18.8813 -4.3611 -4.3611 2.4700 2.4700 3.8323 3.8323 3.9567 3.9567 6.5502 6.5502 8.1578 8.1578 10.0334 10.0334 11.2022 11.2022 k = 0.3370-0.1945 0.2751 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0148 -47.0148 -47.0114 -47.0114 -20.1332 -20.1332 -19.9580 -19.9580 -19.9541 -19.9541 -19.0913 -19.0913 -19.0781 -19.0781 -18.9264 -18.9264 -18.9100 -18.9100 -18.8993 -18.8993 -18.8813 -18.8813 -4.3435 -4.3435 2.4331 2.4331 3.8099 3.8099 3.9334 3.9334 6.4736 6.4736 8.1174 8.1174 10.1846 10.1846 11.2760 11.2760 k = 0.3478-0.2008 0.2840 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0147 -47.0147 -47.0115 -47.0115 -20.1332 -20.1332 -19.9581 -19.9581 -19.9541 -19.9541 -19.0909 -19.0909 -19.0788 -19.0788 -18.9264 -18.9264 -18.9109 -18.9109 -18.8982 -18.8982 -18.8812 -18.8812 -4.3265 -4.3265 2.3991 2.3991 3.7887 3.7887 3.9114 3.9114 6.3991 6.3991 8.0792 8.0792 10.3392 10.3392 11.3485 11.3485 k = 0.3587-0.2071 0.2929 ( 4989 PWs) bands (ev): -48.0754 -48.0754 -47.0147 -47.0147 -47.0115 -47.0115 -20.1333 -20.1333 -19.9583 -19.9583 -19.9541 -19.9541 -19.0905 -19.0905 -19.0795 -19.0795 -18.9264 -18.9264 -18.9117 -18.9117 -18.8972 -18.8972 -18.8812 -18.8812 -4.3103 -4.3103 2.3677 2.3677 3.7687 3.7687 3.8907 3.8907 6.3272 6.3272 8.0434 8.0434 10.4962 10.4962 11.4193 11.4193 k = 0.3696-0.2134 0.3017 ( 4989 PWs) bands (ev): -48.0754 -48.0754 -47.0146 -47.0146 -47.0116 -47.0116 -20.1333 -20.1333 -19.9584 -19.9584 -19.9542 -19.9542 -19.0902 -19.0902 -19.0802 -19.0802 -18.9264 -18.9264 -18.9125 -18.9125 -18.8962 -18.8962 -18.8812 -18.8812 -4.2949 -4.2949 2.3390 2.3390 3.7500 3.7500 3.8713 3.8713 6.2587 6.2587 8.0100 8.0100 10.6550 10.6550 11.4881 11.4881 k = 0.3804-0.2196 0.3106 ( 4981 PWs) bands (ev): -48.0754 -48.0754 -47.0146 -47.0146 -47.0116 -47.0116 -20.1333 -20.1333 -19.9585 -19.9585 -19.9542 -19.9542 -19.0898 -19.0898 -19.0809 -19.0809 -18.9263 -18.9263 -18.9133 -18.9133 -18.8953 -18.8953 -18.8811 -18.8811 -4.2804 -4.2804 2.3129 2.3129 3.7326 3.7326 3.8534 3.8534 6.1940 6.1940 7.9790 7.9790 10.8147 10.8147 11.5548 11.5548 k = 0.3913-0.2259 0.3195 ( 4981 PWs) bands (ev): -48.0754 -48.0754 -47.0145 -47.0145 -47.0117 -47.0117 -20.1334 -20.1334 -19.9587 -19.9587 -19.9542 -19.9542 -19.0895 -19.0895 -19.0815 -19.0815 -18.9263 -18.9263 -18.9140 -18.9140 -18.8944 -18.8944 -18.8811 -18.8811 -4.2668 -4.2668 2.2893 2.2893 3.7167 3.7167 3.8368 3.8368 6.1336 6.1336 7.9505 7.9505 10.9743 10.9743 11.6189 11.6189 k = 0.4022-0.2322 0.3284 ( 4981 PWs) bands (ev): -48.0754 -48.0754 -47.0145 -47.0145 -47.0117 -47.0117 -20.1334 -20.1334 -19.9588 -19.9588 -19.9542 -19.9542 -19.0891 -19.0891 -19.0822 -19.0822 -18.9263 -18.9263 -18.9147 -18.9147 -18.8935 -18.8935 -18.8811 -18.8811 -4.2544 -4.2544 2.2682 2.2682 3.7022 3.7022 3.8218 3.8218 6.0779 6.0779 7.9246 7.9246 11.1327 11.1327 11.6803 11.6803 k = 0.4130-0.2385 0.3372 ( 4973 PWs) bands (ev): -48.0754 -48.0754 -47.0144 -47.0144 -47.0118 -47.0118 -20.1335 -20.1335 -19.9589 -19.9589 -19.9542 -19.9542 -19.0889 -19.0889 -19.0826 -19.0826 -18.9263 -18.9263 -18.9152 -18.9152 -18.8929 -18.8929 -18.8809 -18.8809 -4.2430 -4.2430 2.2496 2.2496 3.6891 3.6891 3.8083 3.8083 6.0272 6.0272 7.9013 7.9013 11.2885 11.2885 11.7388 11.7388 k = 0.4239-0.2447 0.3461 ( 4972 PWs) bands (ev): -48.0754 -48.0754 -47.0144 -47.0144 -47.0118 -47.0118 -20.1335 -20.1335 -19.9590 -19.9590 -19.9542 -19.9542 -19.0887 -19.0887 -19.0831 -19.0831 -18.9262 -18.9262 -18.9157 -18.9157 -18.8922 -18.8922 -18.8809 -18.8809 -4.2328 -4.2328 2.2333 2.2333 3.6775 3.6775 3.7962 3.7962 5.9818 5.9818 7.8807 7.8807 11.4392 11.4392 11.7946 11.7946 k = 0.4348-0.2510 0.3550 ( 4980 PWs) bands (ev): -48.0754 -48.0754 -47.0144 -47.0144 -47.0118 -47.0118 -20.1336 -20.1336 -19.9591 -19.9591 -19.9542 -19.9542 -19.0885 -19.0885 -19.0835 -19.0835 -18.9262 -18.9262 -18.9162 -18.9162 -18.8917 -18.8917 -18.8810 -18.8810 -4.2239 -4.2239 2.2193 2.2193 3.6674 3.6674 3.7858 3.7858 5.9420 5.9420 7.8627 7.8627 11.5813 11.5813 11.8492 11.8492 k = 0.4457-0.2573 0.3639 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0144 -47.0144 -47.0119 -47.0119 -20.1336 -20.1336 -19.9592 -19.9592 -19.9543 -19.9543 -19.0884 -19.0884 -19.0840 -19.0840 -18.9262 -18.9262 -18.9166 -18.9166 -18.8912 -18.8912 -18.8811 -18.8811 -4.2163 -4.2163 2.2076 2.2076 3.6588 3.6588 3.7769 3.7769 5.9079 5.9079 7.8475 7.8475 11.7072 11.7072 11.9066 11.9066 k = 0.4565-0.2636 0.3727 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0144 -47.0144 -47.0119 -47.0119 -20.1336 -20.1336 -19.9593 -19.9593 -19.9543 -19.9543 -19.0882 -19.0882 -19.0843 -19.0843 -18.9262 -18.9262 -18.9170 -18.9170 -18.8907 -18.8907 -18.8811 -18.8811 -4.2100 -4.2100 2.1981 2.1981 3.6518 3.6518 3.7696 3.7696 5.8798 5.8798 7.8350 7.8350 11.8046 11.8046 11.9750 11.9750 k = 0.4674-0.2698 0.3816 ( 4984 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0119 -47.0119 -20.1336 -20.1336 -19.9593 -19.9593 -19.9542 -19.9542 -19.0881 -19.0881 -19.0844 -19.0844 -18.9262 -18.9262 -18.9171 -18.9171 -18.8904 -18.8904 -18.8810 -18.8810 -4.2050 -4.2050 2.1908 2.1908 3.6463 3.6463 3.7640 3.7640 5.8578 5.8578 7.8252 7.8252 11.8663 11.8663 12.0240 12.0240 k = 0.4783-0.2761 0.3905 ( 4984 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0119 -47.0119 -20.1336 -20.1336 -19.9594 -19.9594 -19.9543 -19.9543 -19.0881 -19.0881 -19.0846 -19.0846 -18.9262 -18.9262 -18.9173 -18.9173 -18.8902 -18.8902 -18.8810 -18.8810 -4.2014 -4.2014 2.1855 2.1855 3.6424 3.6424 3.7599 3.7599 5.8420 5.8420 7.8183 7.8183 11.9015 11.9015 12.0448 12.0448 k = 0.4891-0.2824 0.3994 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0119 -47.0119 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0881 -19.0881 -19.0847 -19.0847 -18.9262 -18.9262 -18.9174 -18.9174 -18.8902 -18.8902 -18.8810 -18.8810 -4.1993 -4.1993 2.1824 2.1824 3.6400 3.6400 3.7574 3.7574 5.8325 5.8325 7.8141 7.8141 11.9201 11.9201 12.0574 12.0574 k = 0.5000-0.2887 0.4082 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0119 -47.0119 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0881 -19.0881 -19.0847 -19.0847 -18.9262 -18.9262 -18.9175 -18.9175 -18.8901 -18.8901 -18.8810 -18.8810 -4.1986 -4.1986 2.1814 2.1814 3.6392 3.6392 3.7566 3.7566 5.8293 5.8293 7.8127 7.8127 11.9260 11.9260 12.0617 12.0617 k = 0.5000-0.2887 0.4082 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0119 -47.0119 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0881 -19.0881 -19.0847 -19.0847 -18.9262 -18.9262 -18.9175 -18.9175 -18.8901 -18.8901 -18.8810 -18.8810 -4.1986 -4.1986 2.1814 2.1814 3.6392 3.6392 3.7566 3.7566 5.8293 5.8293 7.8127 7.8127 11.9260 11.9260 12.0617 12.0617 k = 0.5000-0.2761 0.4171 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0119 -47.0119 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0880 -19.0880 -19.0847 -19.0847 -18.9262 -18.9262 -18.9175 -18.9175 -18.8901 -18.8901 -18.8810 -18.8810 -4.1985 -4.1985 2.1826 2.1826 3.6365 3.6365 3.7537 3.7537 5.8354 5.8354 7.8179 7.8179 11.9145 11.9145 12.0501 12.0501 k = 0.5000-0.2636 0.4260 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0120 -47.0120 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0880 -19.0880 -19.0847 -19.0847 -18.9262 -18.9262 -18.9175 -18.9175 -18.8901 -18.8901 -18.8811 -18.8811 -4.1984 -4.1984 2.1862 2.1862 3.6284 3.6284 3.7450 3.7450 5.8534 5.8534 7.8336 7.8336 11.8705 11.8705 12.0274 12.0274 k = 0.5000-0.2510 0.4349 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0120 -47.0120 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0880 -19.0880 -19.0847 -19.0847 -18.9261 -18.9261 -18.9175 -18.9175 -18.8901 -18.8901 -18.8812 -18.8812 -4.1982 -4.1982 2.1922 2.1922 3.6152 3.6152 3.7309 3.7309 5.8832 5.8832 7.8596 7.8596 11.7825 11.7825 12.0113 12.0113 k = 0.5000-0.2385 0.4437 ( 4978 PWs) bands (ev): -48.0753 -48.0753 -47.0142 -47.0142 -47.0120 -47.0120 -20.1336 -20.1336 -19.9593 -19.9593 -19.9543 -19.9543 -19.0879 -19.0879 -19.0846 -19.0846 -18.9259 -18.9259 -18.9175 -18.9175 -18.8901 -18.8901 -18.8813 -18.8813 -4.1980 -4.1980 2.2007 2.2007 3.5973 3.5973 3.7117 3.7117 5.9240 5.9240 7.8957 7.8957 11.6594 11.6594 12.0004 12.0004 k = 0.5000-0.2259 0.4526 ( 4982 PWs) bands (ev): -48.0754 -48.0754 -47.0142 -47.0142 -47.0120 -47.0120 -20.1337 -20.1337 -19.9593 -19.9593 -19.9544 -19.9544 -19.0879 -19.0879 -19.0846 -19.0846 -18.9258 -18.9258 -18.9175 -18.9175 -18.8901 -18.8901 -18.8815 -18.8815 -4.1976 -4.1976 2.2115 2.2115 3.5749 3.5749 3.6880 3.6880 5.9752 5.9752 7.9414 7.9414 11.5143 11.5143 11.9836 11.9836 k = 0.5000-0.2134 0.4615 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0142 -47.0142 -47.0120 -47.0120 -20.1337 -20.1337 -19.9592 -19.9592 -19.9544 -19.9544 -19.0879 -19.0879 -19.0846 -19.0846 -18.9257 -18.9257 -18.9176 -18.9176 -18.8901 -18.8901 -18.8818 -18.8818 -4.1972 -4.1972 2.2247 2.2247 3.5486 3.5486 3.6605 3.6605 6.0359 6.0359 7.9964 7.9964 11.3556 11.3556 11.9489 11.9489 k = 0.5000-0.2008 0.4704 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0142 -47.0142 -47.0121 -47.0121 -20.1337 -20.1337 -19.9592 -19.9592 -19.9545 -19.9545 -19.0878 -19.0878 -19.0846 -19.0846 -18.9255 -18.9255 -18.9176 -18.9176 -18.8901 -18.8901 -18.8821 -18.8821 -4.1967 -4.1967 2.2403 2.2403 3.5189 3.5189 3.6299 3.6299 6.1054 6.1054 8.0603 8.0603 11.1889 11.1889 11.8932 11.8932 k = 0.5000-0.1883 0.4792 ( 4994 PWs) bands (ev): -48.0754 -48.0754 -47.0141 -47.0141 -47.0121 -47.0121 -20.1337 -20.1337 -19.9591 -19.9591 -19.9546 -19.9546 -19.0878 -19.0878 -19.0845 -19.0845 -18.9253 -18.9253 -18.9176 -18.9176 -18.8901 -18.8901 -18.8824 -18.8824 -4.1962 -4.1962 2.2581 2.2581 3.4860 3.4860 3.5971 3.5971 6.1828 6.1828 8.1326 8.1326 11.0174 11.0174 11.8210 11.8210 k = 0.5000-0.1757 0.4881 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0141 -47.0141 -47.0122 -47.0122 -20.1337 -20.1337 -19.9591 -19.9591 -19.9546 -19.9546 -19.0877 -19.0877 -19.0844 -19.0844 -18.9250 -18.9250 -18.9176 -18.9176 -18.8901 -18.8901 -18.8827 -18.8827 -4.1957 -4.1957 2.2783 2.2783 3.4502 3.4502 3.5630 3.5630 6.2671 6.2671 8.2127 8.2127 10.8436 10.8436 11.7361 11.7361 k = 0.5000-0.1632 0.4970 ( 4986 PWs) bands (ev): -48.0754 -48.0754 -47.0140 -47.0140 -47.0122 -47.0122 -20.1337 -20.1337 -19.9590 -19.9590 -19.9547 -19.9547 -19.0876 -19.0876 -19.0843 -19.0843 -18.9248 -18.9248 -18.9177 -18.9177 -18.8901 -18.8901 -18.8831 -18.8831 -4.1951 -4.1951 2.3008 2.3008 3.4117 3.4117 3.5285 3.5285 6.3577 6.3577 8.3002 8.3002 10.6691 10.6691 11.6403 11.6403 k = 0.5000-0.1506 0.5059 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0140 -47.0140 -47.0123 -47.0123 -20.1337 -20.1337 -19.9589 -19.9589 -19.9548 -19.9548 -19.0876 -19.0876 -19.0843 -19.0843 -18.9245 -18.9245 -18.9177 -18.9177 -18.8900 -18.8900 -18.8835 -18.8835 -4.1945 -4.1945 2.3255 2.3255 3.3706 3.3706 3.4946 3.4946 6.4536 6.4536 8.3946 8.3946 10.4952 10.4952 11.5351 11.5351 k = 0.5000-0.1381 0.5147 ( 4994 PWs) bands (ev): -48.0754 -48.0754 -47.0139 -47.0139 -47.0123 -47.0123 -20.1337 -20.1337 -19.9589 -19.9589 -19.9549 -19.9549 -19.0875 -19.0875 -19.0842 -19.0842 -18.9242 -18.9242 -18.9178 -18.9178 -18.8900 -18.8900 -18.8839 -18.8839 -4.1939 -4.1939 2.3524 2.3524 3.3271 3.3271 3.4619 3.4619 6.5541 6.5541 8.4954 8.4954 10.3230 10.3230 11.4216 11.4216 k = 0.5000-0.1255 0.5236 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0139 -47.0139 -47.0124 -47.0124 -20.1337 -20.1337 -19.9588 -19.9588 -19.9550 -19.9550 -19.0874 -19.0874 -19.0842 -19.0842 -18.9239 -18.9239 -18.9179 -18.9179 -18.8899 -18.8899 -18.8843 -18.8843 -4.1933 -4.1933 2.3814 2.3814 3.2815 3.2815 3.4311 3.4311 6.6582 6.6582 8.6020 8.6020 10.1534 10.1534 11.3007 11.3007 k = 0.5000-0.1130 0.5325 ( 4994 PWs) bands (ev): -48.0754 -48.0754 -47.0138 -47.0138 -47.0124 -47.0124 -20.1337 -20.1337 -19.9587 -19.9587 -19.9550 -19.9550 -19.0874 -19.0874 -19.0841 -19.0841 -18.9236 -18.9236 -18.9180 -18.9180 -18.8899 -18.8899 -18.8848 -18.8848 -4.1928 -4.1928 2.4124 2.4124 3.2341 3.2341 3.4026 3.4026 6.7650 6.7650 8.7141 8.7141 9.9875 9.9875 11.1737 11.1737 k = 0.5000-0.1004 0.5414 ( 5004 PWs) bands (ev): -48.0754 -48.0754 -47.0137 -47.0137 -47.0125 -47.0125 -20.1337 -20.1337 -19.9587 -19.9587 -19.9552 -19.9552 -19.0873 -19.0873 -19.0841 -19.0841 -18.9233 -18.9233 -18.9181 -18.9181 -18.8898 -18.8898 -18.8852 -18.8852 -4.1922 -4.1922 2.4455 2.4455 3.1853 3.1853 3.3766 3.3766 6.8735 6.8735 8.8312 8.8312 9.8264 9.8264 11.0415 11.0415 k = 0.5000-0.0879 0.5502 ( 5004 PWs) bands (ev): -48.0754 -48.0754 -47.0137 -47.0137 -47.0126 -47.0126 -20.1337 -20.1337 -19.9586 -19.9586 -19.9552 -19.9552 -19.0873 -19.0873 -19.0840 -19.0840 -18.9230 -18.9230 -18.9183 -18.9183 -18.8897 -18.8897 -18.8856 -18.8856 -4.1917 -4.1917 2.4805 2.4805 3.1357 3.1357 3.3533 3.3533 6.9821 6.9821 8.9528 8.9528 9.6714 9.6714 10.9051 10.9051 k = 0.5000-0.0753 0.5591 ( 5004 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1337 -20.1337 -19.9585 -19.9585 -19.9553 -19.9553 -19.0872 -19.0872 -19.0840 -19.0840 -18.9226 -18.9226 -18.9184 -18.9184 -18.8896 -18.8896 -18.8861 -18.8861 -4.1912 -4.1912 2.5172 2.5172 3.0856 3.0856 3.3328 3.3328 7.0892 7.0892 9.0785 9.0785 9.5243 9.5243 10.7654 10.7654 k = 0.5000-0.0628 0.5680 ( 5010 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1337 -20.1337 -19.9585 -19.9585 -19.9554 -19.9554 -19.0872 -19.0872 -19.0839 -19.0839 -18.9223 -18.9223 -18.9186 -18.9186 -18.8895 -18.8895 -18.8865 -18.8865 -4.1908 -4.1908 2.5556 2.5556 3.0354 3.0354 3.3154 3.3154 7.1924 7.1924 9.2075 9.2075 9.3879 9.3879 10.6234 10.6234 k = 0.5000-0.0502 0.5769 ( 5006 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0128 -47.0128 -20.1337 -20.1337 -19.9584 -19.9584 -19.9555 -19.9555 -19.0871 -19.0871 -19.0839 -19.0839 -18.9220 -18.9220 -18.9188 -18.9188 -18.8893 -18.8893 -18.8869 -18.8869 -4.1905 -4.1905 2.5954 2.5954 2.9858 2.9858 3.3010 3.3010 7.2885 7.2885 9.2605 9.2605 9.3440 9.3440 10.4797 10.4797 k = 0.5000-0.0377 0.5857 ( 5014 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0129 -47.0129 -20.1337 -20.1337 -19.9584 -19.9584 -19.9555 -19.9555 -19.0871 -19.0871 -19.0839 -19.0839 -18.9218 -18.9218 -18.9189 -18.9189 -18.8891 -18.8891 -18.8873 -18.8873 -4.1902 -4.1902 2.6360 2.6360 2.9373 2.9373 3.2897 3.2897 7.3731 7.3731 9.1563 9.1563 9.4780 9.4780 10.3352 10.3352 k = 0.5000-0.0251 0.5946 ( 5016 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0130 -47.0130 -20.1338 -20.1338 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0839 -19.0839 -18.9216 -18.9216 -18.9191 -18.9191 -18.8889 -18.8889 -18.8877 -18.8877 -4.1900 -4.1900 2.6764 2.6764 2.8911 2.8911 3.2816 3.2816 7.4406 7.4406 9.0737 9.0737 9.6160 9.6160 10.1907 10.1907 k = 0.5000-0.0126 0.6035 ( 5008 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1337 -20.1337 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0838 -19.0838 -18.9214 -18.9214 -18.9191 -18.9191 -18.8886 -18.8886 -18.8880 -18.8880 -4.1899 -4.1899 2.7130 2.7130 2.8510 2.8510 3.2767 3.2767 7.4847 7.4847 9.0205 9.0205 9.7553 9.7553 10.0474 10.0474 k = 0.5000-0.0000 0.6124 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9582 -19.9582 -19.9555 -19.9555 -19.0870 -19.0870 -19.0838 -19.0838 -18.9213 -18.9213 -18.9191 -18.9191 -18.8883 -18.8883 -18.8881 -18.8881 -4.1898 -4.1898 2.7315 2.7315 2.8314 2.8314 3.2751 3.2751 7.5002 7.5002 9.0020 9.0020 9.8721 9.8721 9.9293 9.9293 k = 0.5000-0.0000 0.6124 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9582 -19.9582 -19.9555 -19.9555 -19.0870 -19.0870 -19.0838 -19.0838 -18.9213 -18.9213 -18.9191 -18.9191 -18.8883 -18.8883 -18.8881 -18.8881 -4.1898 -4.1898 2.7315 2.7315 2.8314 2.8314 3.2751 3.2751 7.5002 7.5002 9.0020 9.0020 9.8721 9.8721 9.9293 9.9293 k = 0.4926 0.0127 0.6124 ( 5014 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0131 -47.0131 -20.1337 -20.1337 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0838 -19.0838 -18.9214 -18.9214 -18.9192 -18.9192 -18.8886 -18.8886 -18.8881 -18.8881 -4.1900 -4.1900 2.7219 2.7219 2.8386 2.8386 3.2800 3.2800 7.4932 7.4932 9.0071 9.0071 9.8050 9.8050 10.0024 10.0024 k = 0.4853 0.0255 0.6124 ( 5022 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1338 -20.1338 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0839 -19.0839 -18.9215 -18.9215 -18.9191 -18.9191 -18.8887 -18.8887 -18.8880 -18.8880 -4.1904 -4.1904 2.7014 2.7014 2.8512 2.8512 3.2955 3.2955 7.4721 7.4721 9.0219 9.0219 9.7274 9.7274 10.0987 10.0987 k = 0.4779 0.0382 0.6124 ( 5018 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0130 -47.0130 -20.1338 -20.1338 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0839 -19.0839 -18.9215 -18.9215 -18.9190 -18.9190 -18.8889 -18.8889 -18.8878 -18.8878 -4.1911 -4.1911 2.6777 2.6777 2.8607 2.8607 3.3218 3.3218 7.4374 7.4374 9.0444 9.0444 9.6626 9.6626 10.1968 10.1968 k = 0.4706 0.0509 0.6124 ( 5017 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0129 -47.0129 -20.1337 -20.1337 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0839 -19.0839 -18.9216 -18.9216 -18.9189 -18.9189 -18.8891 -18.8891 -18.8877 -18.8877 -4.1920 -4.1920 2.6538 2.6538 2.8650 2.8650 3.3580 3.3580 7.3905 7.3905 9.0709 9.0709 9.6147 9.6147 10.2953 10.2953 k = 0.4632 0.0637 0.6124 ( 5018 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0129 -47.0129 -20.1337 -20.1337 -19.9583 -19.9583 -19.9555 -19.9555 -19.0870 -19.0870 -19.0839 -19.0839 -18.9217 -18.9217 -18.9188 -18.9188 -18.8892 -18.8892 -18.8876 -18.8876 -4.1930 -4.1930 2.6306 2.6306 2.8645 2.8645 3.4023 3.4023 7.3333 7.3333 9.0958 9.0958 9.5879 9.5879 10.3935 10.3935 k = 0.4559 0.0764 0.6124 ( 5017 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0129 -47.0129 -20.1337 -20.1337 -19.9584 -19.9584 -19.9555 -19.9555 -19.0870 -19.0870 -19.0839 -19.0839 -18.9217 -18.9217 -18.9187 -18.9187 -18.8894 -18.8894 -18.8875 -18.8875 -4.1941 -4.1941 2.6088 2.6088 2.8603 2.8603 3.4523 3.4523 7.2682 7.2682 9.1126 9.1126 9.5871 9.5871 10.4908 10.4908 k = 0.4485 0.0891 0.6124 ( 5017 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0128 -47.0128 -20.1337 -20.1337 -19.9584 -19.9584 -19.9555 -19.9555 -19.0870 -19.0870 -19.0839 -19.0839 -18.9218 -18.9218 -18.9186 -18.9186 -18.8895 -18.8895 -18.8874 -18.8874 -4.1953 -4.1953 2.5885 2.5885 2.8537 2.8537 3.5059 3.5059 7.1979 7.1979 9.1176 9.1176 9.6142 9.6142 10.5865 10.5865 k = 0.4412 0.1019 0.6124 ( 5017 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0128 -47.0128 -20.1337 -20.1337 -19.9584 -19.9584 -19.9554 -19.9554 -19.0869 -19.0869 -19.0840 -19.0840 -18.9218 -18.9218 -18.9185 -18.9185 -18.8896 -18.8896 -18.8873 -18.8873 -4.1964 -4.1964 2.5699 2.5699 2.8458 2.8458 3.5613 3.5613 7.1248 7.1248 9.1117 9.1117 9.6665 9.6665 10.6798 10.6798 k = 0.4338 0.1146 0.6124 ( 5007 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9554 -19.9554 -19.0869 -19.0869 -19.0839 -19.0839 -18.9219 -18.9219 -18.9184 -18.9184 -18.8897 -18.8897 -18.8872 -18.8872 -4.1976 -4.1976 2.5531 2.5531 2.8375 2.8375 3.6167 3.6167 7.0513 7.0513 9.0987 9.0987 9.7386 9.7386 10.7697 10.7697 k = 0.4265 0.1274 0.6124 ( 5004 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9554 -19.9554 -19.0868 -19.0868 -19.0840 -19.0840 -18.9219 -18.9219 -18.9183 -18.9183 -18.8898 -18.8898 -18.8871 -18.8871 -4.1987 -4.1987 2.5382 2.5382 2.8292 2.8292 3.6706 3.6706 6.9797 6.9797 9.0827 9.0827 9.8250 9.8250 10.8551 10.8551 k = 0.4191 0.1401 0.6124 ( 5004 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0868 -19.0868 -19.0840 -19.0840 -18.9220 -18.9220 -18.9182 -18.9182 -18.8899 -18.8899 -18.8871 -18.8871 -4.1997 -4.1997 2.5251 2.5251 2.8214 2.8214 3.7214 3.7214 6.9122 6.9122 9.0661 9.0661 9.9219 9.9219 10.9345 10.9345 k = 0.4118 0.1528 0.6124 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0840 -19.0840 -18.9220 -18.9220 -18.9181 -18.9181 -18.8899 -18.8899 -18.8870 -18.8870 -4.2006 -4.2006 2.5140 2.5140 2.8144 2.8144 3.7676 3.7676 6.8510 6.8510 9.0508 9.0508 10.0263 10.0263 11.0056 11.0056 k = 0.4044 0.1656 0.6124 ( 4995 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1336 -20.1336 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0840 -19.0840 -18.9220 -18.9220 -18.9180 -18.9180 -18.8900 -18.8900 -18.8870 -18.8870 -4.2014 -4.2014 2.5049 2.5049 2.8085 2.8085 3.8079 3.8079 6.7977 6.7977 9.0375 9.0375 10.1363 10.1363 11.0628 11.0628 k = 0.3971 0.1783 0.6124 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0126 -47.0126 -20.1336 -20.1336 -19.9584 -19.9584 -19.9552 -19.9552 -19.0867 -19.0867 -19.0840 -19.0840 -18.9220 -18.9220 -18.9180 -18.9180 -18.8900 -18.8900 -18.8870 -18.8870 -4.2020 -4.2020 2.4978 2.4978 2.8037 2.8037 3.8409 3.8409 6.7543 6.7543 9.0269 9.0269 10.2499 10.2499 11.0328 11.0328 k = 0.3897 0.1910 0.6124 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0126 -47.0126 -20.1337 -20.1337 -19.9584 -19.9584 -19.9552 -19.9552 -19.0866 -19.0866 -19.0840 -19.0840 -18.9221 -18.9221 -18.9179 -18.9179 -18.8901 -18.8901 -18.8870 -18.8870 -4.2025 -4.2025 2.4927 2.4927 2.8003 2.8003 3.8654 3.8654 6.7221 6.7221 9.0191 9.0191 10.3644 10.3644 10.9149 10.9149 k = 0.3824 0.2038 0.6124 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0126 -47.0126 -20.1337 -20.1337 -19.9584 -19.9584 -19.9552 -19.9552 -19.0866 -19.0866 -19.0841 -19.0841 -18.9221 -18.9221 -18.9179 -18.9179 -18.8901 -18.8901 -18.8870 -18.8870 -4.2027 -4.2027 2.4897 2.4897 2.7982 2.7982 3.8805 3.8805 6.7023 6.7023 9.0144 9.0144 10.4718 10.4718 10.8024 10.8024 k = 0.3750 0.2165 0.6124 ( 5010 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0841 -19.0841 -18.9221 -18.9221 -18.9179 -18.9179 -18.8902 -18.8902 -18.8870 -18.8870 -4.2028 -4.2028 2.4886 2.4886 2.7975 2.7975 3.8856 3.8856 6.6956 6.6956 9.0128 9.0128 10.5312 10.5312 10.7411 10.7411 k = 0.3750 0.2165 0.6124 ( 5010 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0841 -19.0841 -18.9221 -18.9221 -18.9179 -18.9179 -18.8902 -18.8902 -18.8870 -18.8870 -4.2028 -4.2028 2.4886 2.4886 2.7975 2.7975 3.8856 3.8856 6.6956 6.6956 9.0128 9.0128 10.5312 10.5312 10.7411 10.7411 k = 0.3673 0.2121 0.5999 ( 4998 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1336 -20.1336 -19.9583 -19.9583 -19.9553 -19.9553 -19.0865 -19.0865 -19.0840 -19.0840 -18.9215 -18.9215 -18.9180 -18.9180 -18.8901 -18.8901 -18.8877 -18.8877 -4.2053 -4.2053 2.5238 2.5238 2.7397 2.7397 3.9073 3.9073 6.7649 6.7649 9.1081 9.1081 10.4335 10.4335 10.6979 10.6979 k = 0.3597 0.2077 0.5874 ( 4998 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0128 -47.0128 -20.1336 -20.1336 -19.9582 -19.9582 -19.9554 -19.9554 -19.0864 -19.0864 -19.0838 -19.0838 -18.9210 -18.9210 -18.9180 -18.9180 -18.8901 -18.8901 -18.8884 -18.8884 -4.2084 -4.2084 2.5565 2.5565 2.6895 2.6895 3.9299 3.9299 6.8347 6.8347 9.1857 9.1857 10.3386 10.3386 10.6800 10.6800 k = 0.3520 0.2033 0.5749 ( 5004 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0129 -47.0129 -20.1336 -20.1336 -19.9581 -19.9581 -19.9555 -19.9555 -19.0863 -19.0863 -19.0837 -19.0837 -18.9204 -18.9204 -18.9181 -18.9181 -18.8902 -18.8902 -18.8891 -18.8891 -4.2120 -4.2120 2.5729 2.5729 2.6611 2.6611 3.9533 3.9533 6.9051 6.9051 9.2395 9.2395 10.2468 10.2468 10.6932 10.6932 k = 0.3444 0.1988 0.5624 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0130 -47.0130 -20.1336 -20.1336 -19.9579 -19.9579 -19.9555 -19.9555 -19.0863 -19.0863 -19.0834 -19.0834 -18.9198 -18.9198 -18.9181 -18.9181 -18.8906 -18.8906 -18.8895 -18.8895 -4.2163 -4.2163 2.5508 2.5508 2.6768 2.6768 3.9775 3.9775 6.9763 6.9763 9.2656 9.2656 10.1582 10.1582 10.7409 10.7409 k = 0.3367 0.1944 0.5499 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0131 -47.0131 -20.1335 -20.1335 -19.9578 -19.9578 -19.9556 -19.9556 -19.0863 -19.0863 -19.0831 -19.0831 -18.9192 -18.9192 -18.9180 -18.9180 -18.8912 -18.8912 -18.8895 -18.8895 -4.2214 -4.2214 2.5127 2.5127 2.7144 2.7144 4.0024 4.0024 7.0483 7.0483 9.2640 9.2640 10.0732 10.0732 10.7621 10.7621 k = 0.3291 0.1900 0.5374 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1335 -20.1335 -19.9576 -19.9576 -19.9556 -19.9556 -19.0864 -19.0864 -19.0828 -19.0828 -18.9189 -18.9189 -18.9177 -18.9177 -18.8921 -18.8921 -18.8895 -18.8895 -4.2272 -4.2272 2.4740 2.4740 2.7584 2.7584 4.0279 4.0279 7.1212 7.1212 9.2380 9.2380 9.9919 9.9919 10.6768 10.6768 k = 0.3214 0.1856 0.5249 ( 4996 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0130 -47.0130 -20.1335 -20.1335 -19.9575 -19.9575 -19.9557 -19.9557 -19.0865 -19.0865 -19.0824 -19.0824 -18.9189 -18.9189 -18.9171 -18.9171 -18.8930 -18.8930 -18.8895 -18.8895 -4.2338 -4.2338 2.4383 2.4383 2.8055 2.8055 4.0538 4.0538 7.1949 7.1949 9.1930 9.1930 9.9146 9.9146 10.5927 10.5927 k = 0.3138 0.1812 0.5124 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0129 -47.0129 -20.1334 -20.1334 -19.9573 -19.9573 -19.9557 -19.9557 -19.0867 -19.0867 -19.0820 -19.0820 -18.9189 -18.9189 -18.9163 -18.9163 -18.8939 -18.8939 -18.8894 -18.8894 -4.2412 -4.2412 2.4066 2.4066 2.8547 2.8547 4.0802 4.0802 7.2694 7.2694 9.1341 9.1341 9.8415 9.8415 10.5102 10.5102 k = 0.3061 0.1767 0.4999 ( 4986 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0128 -47.0128 -20.1334 -20.1334 -19.9572 -19.9572 -19.9558 -19.9558 -19.0869 -19.0869 -19.0815 -19.0815 -18.9190 -18.9190 -18.9155 -18.9155 -18.8948 -18.8948 -18.8893 -18.8893 -4.2494 -4.2494 2.3793 2.3793 2.9056 2.9056 4.1068 4.1068 7.3447 7.3447 9.0655 9.0655 9.7727 9.7727 10.4294 10.4294 k = 0.2985 0.1723 0.4874 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1334 -20.1334 -19.9571 -19.9571 -19.9558 -19.9558 -19.0872 -19.0872 -19.0811 -19.0811 -18.9191 -18.9191 -18.9147 -18.9147 -18.8958 -18.8958 -18.8892 -18.8892 -4.2585 -4.2585 2.3566 2.3566 2.9581 2.9581 4.1336 4.1336 7.4206 7.4206 8.9905 8.9905 9.7084 9.7084 10.3505 10.3505 k = 0.2908 0.1679 0.4749 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0137 -47.0137 -47.0125 -47.0125 -20.1333 -20.1333 -19.9569 -19.9569 -19.9558 -19.9558 -19.0874 -19.0874 -19.0805 -19.0805 -18.9192 -18.9192 -18.9138 -18.9138 -18.8968 -18.8968 -18.8891 -18.8891 -4.2685 -4.2685 2.3387 2.3387 3.0118 3.0118 4.1605 4.1605 7.4969 7.4969 8.9115 8.9115 9.6487 9.6487 10.2737 10.2737 k = 0.2832 0.1635 0.4624 ( 4984 PWs) bands (ev): -48.0754 -48.0754 -47.0137 -47.0137 -47.0124 -47.0124 -20.1333 -20.1333 -19.9568 -19.9568 -19.9558 -19.9558 -19.0877 -19.0877 -19.0800 -19.0800 -18.9194 -18.9194 -18.9129 -18.9129 -18.8978 -18.8978 -18.8890 -18.8890 -4.2794 -4.2794 2.3258 2.3258 3.0668 3.0668 4.1873 4.1873 7.5731 7.5731 8.8306 8.8306 9.5939 9.5939 10.1992 10.1992 k = 0.2755 0.1591 0.4499 ( 4986 PWs) bands (ev): -48.0754 -48.0754 -47.0139 -47.0139 -47.0123 -47.0123 -20.1332 -20.1332 -19.9566 -19.9566 -19.9558 -19.9558 -19.0881 -19.0881 -19.0794 -19.0794 -18.9195 -18.9195 -18.9119 -18.9119 -18.8989 -18.8989 -18.8888 -18.8888 -4.2911 -4.2911 2.3179 2.3179 3.1227 3.1227 4.2140 4.2140 7.6485 7.6485 8.7495 8.7495 9.5439 9.5439 10.1271 10.1271 k = 0.2679 0.1546 0.4374 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0140 -47.0140 -47.0122 -47.0122 -20.1332 -20.1332 -19.9565 -19.9565 -19.9558 -19.9558 -19.0885 -19.0885 -19.0788 -19.0788 -18.9197 -18.9197 -18.9110 -18.9110 -18.8999 -18.8999 -18.8887 -18.8887 -4.3036 -4.3036 2.3150 2.3150 3.1796 3.1796 4.2404 4.2404 7.7220 7.7220 8.6701 8.6701 9.4991 9.4991 10.0575 10.0575 k = 0.2602 0.1502 0.4249 ( 4994 PWs) bands (ev): -48.0754 -48.0754 -47.0141 -47.0141 -47.0121 -47.0121 -20.1332 -20.1332 -19.9564 -19.9564 -19.9558 -19.9558 -19.0889 -19.0889 -19.0782 -19.0782 -18.9199 -18.9199 -18.9100 -18.9100 -18.9010 -18.9010 -18.8886 -18.8886 -4.3170 -4.3170 2.3172 2.3172 3.2373 3.2373 4.2664 4.2664 7.7916 7.7916 8.5949 8.5949 9.4596 9.4596 9.9907 9.9907 k = 0.2526 0.1458 0.4124 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0142 -47.0142 -47.0120 -47.0120 -20.1331 -20.1331 -19.9563 -19.9563 -19.9557 -19.9557 -19.0892 -19.0892 -19.0777 -19.0777 -18.9200 -18.9200 -18.9091 -18.9091 -18.9020 -18.9020 -18.8885 -18.8885 -4.3311 -4.3311 2.3245 2.3245 3.2955 3.2955 4.2919 4.2919 7.8537 7.8537 8.5278 8.5278 9.4253 9.4253 9.9266 9.9266 k = 0.2449 0.1414 0.3999 ( 4992 PWs) bands (ev): -48.0755 -48.0755 -47.0143 -47.0143 -47.0119 -47.0119 -20.1331 -20.1331 -19.9563 -19.9563 -19.9556 -19.9556 -19.0897 -19.0897 -19.0770 -19.0770 -18.9202 -18.9202 -18.9080 -18.9080 -18.9031 -18.9031 -18.8883 -18.8883 -4.3460 -4.3460 2.3369 2.3369 3.3543 3.3543 4.3168 4.3168 7.9023 7.9023 8.4751 8.4751 9.3966 9.3966 9.8656 9.8656 k = 0.2372 0.1370 0.3874 ( 4996 PWs) bands (ev): -48.0755 -48.0755 -47.0144 -47.0144 -47.0118 -47.0118 -20.1330 -20.1330 -19.9562 -19.9562 -19.9556 -19.9556 -19.0902 -19.0902 -19.0763 -19.0763 -18.9205 -18.9205 -18.9069 -18.9069 -18.9043 -18.9043 -18.8880 -18.8880 -4.3615 -4.3615 2.3544 2.3544 3.4133 3.4133 4.3409 4.3409 7.9280 7.9280 8.4462 8.4462 9.3735 9.3735 9.8076 9.8076 k = 0.2296 0.1326 0.3749 ( 4992 PWs) bands (ev): -48.0755 -48.0755 -47.0145 -47.0145 -47.0117 -47.0117 -20.1329 -20.1329 -19.9561 -19.9561 -19.9554 -19.9554 -19.0907 -19.0907 -19.0756 -19.0756 -18.9207 -18.9207 -18.9058 -18.9058 -18.9053 -18.9053 -18.8878 -18.8878 -4.3777 -4.3777 2.3769 2.3769 3.4725 3.4725 4.3643 4.3643 7.9228 7.9228 8.4490 8.4490 9.3560 9.3560 9.7529 9.7529 k = 0.2219 0.1281 0.3624 ( 4990 PWs) bands (ev): -48.0755 -48.0755 -47.0146 -47.0146 -47.0115 -47.0115 -20.1329 -20.1329 -19.9560 -19.9560 -19.9553 -19.9553 -19.0912 -19.0912 -19.0749 -19.0749 -18.9209 -18.9209 -18.9064 -18.9064 -18.9047 -18.9047 -18.8876 -18.8876 -4.3944 -4.3944 2.4044 2.4044 3.5318 3.5318 4.3867 4.3867 7.8877 7.8877 8.4828 8.4828 9.3444 9.3444 9.7015 9.7015 k = 0.2143 0.1237 0.3499 ( 4986 PWs) bands (ev): -48.0755 -48.0755 -47.0147 -47.0147 -47.0114 -47.0114 -20.1328 -20.1328 -19.9559 -19.9559 -19.9552 -19.9552 -19.0918 -19.0918 -19.0742 -19.0742 -18.9211 -18.9211 -18.9075 -18.9075 -18.9036 -18.9036 -18.8874 -18.8874 -4.4117 -4.4117 2.4368 2.4368 3.5909 3.5909 4.4082 4.4082 7.8309 7.8309 8.5389 8.5389 9.3386 9.3386 9.6535 9.6535 k = 0.2066 0.1193 0.3374 ( 4990 PWs) bands (ev): -48.0755 -48.0755 -47.0148 -47.0148 -47.0113 -47.0113 -20.1328 -20.1328 -19.9558 -19.9558 -19.9551 -19.9551 -19.0923 -19.0923 -19.0735 -19.0735 -18.9213 -18.9213 -18.9085 -18.9085 -18.9025 -18.9025 -18.8872 -18.8872 -4.4293 -4.4293 2.4740 2.4740 3.6496 3.6496 4.4286 4.4286 7.7610 7.7610 8.6087 8.6087 9.3388 9.3388 9.6090 9.6090 k = 0.1990 0.1149 0.3249 ( 4974 PWs) bands (ev): -48.0755 -48.0755 -47.0149 -47.0149 -47.0112 -47.0112 -20.1326 -20.1326 -19.9557 -19.9557 -19.9549 -19.9549 -19.0927 -19.0927 -19.0728 -19.0728 -18.9215 -18.9215 -18.9095 -18.9095 -18.9014 -18.9014 -18.8869 -18.8869 -4.4473 -4.4473 2.5160 2.5160 3.7079 3.7079 4.4480 4.4480 7.6833 7.6833 8.6866 8.6866 9.3449 9.3449 9.5681 9.5681 k = 0.1913 0.1105 0.3124 ( 4984 PWs) bands (ev): -48.0755 -48.0755 -47.0150 -47.0150 -47.0111 -47.0111 -20.1326 -20.1326 -19.9556 -19.9556 -19.9549 -19.9549 -19.0934 -19.0934 -19.0721 -19.0721 -18.9217 -18.9217 -18.9106 -18.9106 -18.9003 -18.9003 -18.8867 -18.8867 -4.4656 -4.4656 2.5627 2.5627 3.7654 3.7654 4.4662 4.4662 7.6009 7.6009 8.7693 8.7693 9.3571 9.3571 9.5310 9.5310 k = 0.1837 0.1060 0.2999 ( 4988 PWs) bands (ev): -48.0755 -48.0755 -47.0151 -47.0151 -47.0110 -47.0110 -20.1325 -20.1325 -19.9555 -19.9555 -19.9548 -19.9548 -19.0939 -19.0939 -19.0714 -19.0714 -18.9220 -18.9220 -18.9116 -18.9116 -18.8993 -18.8993 -18.8865 -18.8865 -4.4840 -4.4840 2.6140 2.6140 3.8221 3.8221 4.4833 4.4833 7.5153 7.5153 8.8547 8.8547 9.3753 9.3753 9.4976 9.4976 k = 0.1760 0.1016 0.2874 ( 4978 PWs) bands (ev): -48.0755 -48.0755 -47.0152 -47.0152 -47.0109 -47.0109 -20.1324 -20.1324 -19.9554 -19.9554 -19.9546 -19.9546 -19.0945 -19.0945 -19.0707 -19.0707 -18.9222 -18.9222 -18.9126 -18.9126 -18.8981 -18.8981 -18.8863 -18.8863 -4.5024 -4.5024 2.6697 2.6697 3.8778 3.8778 4.4992 4.4992 7.4274 7.4274 8.9416 8.9416 9.3996 9.3996 9.4680 9.4680 k = 0.1684 0.0972 0.2749 ( 4980 PWs) bands (ev): -48.0755 -48.0755 -47.0153 -47.0153 -47.0108 -47.0108 -20.1324 -20.1324 -19.9553 -19.9553 -19.9545 -19.9545 -19.0950 -19.0950 -19.0701 -19.0701 -18.9224 -18.9224 -18.9135 -18.9135 -18.8971 -18.8971 -18.8861 -18.8861 -4.5209 -4.5209 2.7298 2.7298 3.9322 3.9322 4.5139 4.5139 7.3378 7.3378 9.0289 9.0289 9.4294 9.4294 9.4427 9.4427 k = 0.1607 0.0928 0.2624 ( 4968 PWs) bands (ev): -48.0755 -48.0755 -47.0154 -47.0154 -47.0107 -47.0107 -20.1323 -20.1323 -19.9551 -19.9551 -19.9544 -19.9544 -19.0955 -19.0955 -19.0693 -19.0693 -18.9226 -18.9226 -18.9145 -18.9145 -18.8960 -18.8960 -18.8858 -18.8858 -4.5393 -4.5393 2.7940 2.7940 3.9851 3.9851 4.5275 4.5275 7.2467 7.2467 9.1157 9.1157 9.4200 9.4200 9.4665 9.4665 k = 0.1531 0.0884 0.2499 ( 4966 PWs) bands (ev): -48.0756 -48.0756 -47.0154 -47.0154 -47.0106 -47.0106 -20.1322 -20.1322 -19.9550 -19.9550 -19.9543 -19.9543 -19.0961 -19.0961 -19.0686 -19.0686 -18.9228 -18.9228 -18.9154 -18.9154 -18.8949 -18.8949 -18.8856 -18.8856 -4.5575 -4.5575 2.8624 2.8624 4.0365 4.0365 4.5401 4.5401 7.1542 7.1542 9.2009 9.2009 9.4022 9.4022 9.5087 9.5087 k = 0.1454 0.0840 0.2375 ( 4958 PWs) bands (ev): -48.0756 -48.0756 -47.0155 -47.0155 -47.0105 -47.0105 -20.1321 -20.1321 -19.9548 -19.9548 -19.9542 -19.9542 -19.0967 -19.0967 -19.0679 -19.0679 -18.9231 -18.9231 -18.9163 -18.9163 -18.8938 -18.8938 -18.8853 -18.8853 -4.5754 -4.5754 2.9346 2.9346 4.0860 4.0860 4.5516 4.5516 7.0603 7.0603 9.2834 9.2834 9.3885 9.3885 9.5567 9.5567 k = 0.1378 0.0795 0.2250 ( 4966 PWs) bands (ev): -48.0756 -48.0756 -47.0156 -47.0156 -47.0104 -47.0104 -20.1321 -20.1321 -19.9547 -19.9547 -19.9541 -19.9541 -19.0972 -19.0972 -19.0673 -19.0673 -18.9233 -18.9233 -18.9173 -18.9173 -18.8928 -18.8928 -18.8851 -18.8851 -4.5930 -4.5930 3.0106 3.0106 4.1336 4.1336 4.5622 4.5622 6.9651 6.9651 9.3559 9.3559 9.3852 9.3852 9.6106 9.6106 k = 0.1301 0.0751 0.2125 ( 4970 PWs) bands (ev): -48.0756 -48.0756 -47.0157 -47.0157 -47.0103 -47.0103 -20.1320 -20.1320 -19.9546 -19.9546 -19.9540 -19.9540 -19.0978 -19.0978 -19.0667 -19.0667 -18.9235 -18.9235 -18.9181 -18.9181 -18.8918 -18.8918 -18.8849 -18.8849 -4.6101 -4.6101 3.0902 3.0902 4.1790 4.1790 4.5719 4.5719 6.8685 6.8685 9.3661 9.3661 9.4429 9.4429 9.6701 9.6701 k = 0.1224 0.0707 0.2000 ( 4982 PWs) bands (ev): -48.0756 -48.0756 -47.0158 -47.0158 -47.0103 -47.0103 -20.1320 -20.1320 -19.9545 -19.9545 -19.9540 -19.9540 -19.0983 -19.0983 -19.0662 -19.0662 -18.9238 -18.9238 -18.9189 -18.9189 -18.8910 -18.8910 -18.8848 -18.8848 -4.6267 -4.6267 3.1733 3.1733 4.2222 4.2222 4.5808 4.5808 6.7705 6.7705 9.3634 9.3634 9.5105 9.5105 9.7351 9.7351 k = 0.1148 0.0663 0.1875 ( 4982 PWs) bands (ev): -48.0756 -48.0756 -47.0158 -47.0158 -47.0102 -47.0102 -20.1319 -20.1319 -19.9544 -19.9544 -19.9539 -19.9539 -19.0988 -19.0988 -19.0656 -19.0656 -18.9240 -18.9240 -18.9197 -18.9197 -18.8900 -18.8900 -18.8845 -18.8845 -4.6427 -4.6427 3.2595 3.2595 4.2628 4.2628 4.5891 4.5891 6.6710 6.6710 9.3631 9.3631 9.5706 9.5706 9.7748 9.7748 k = 0.1071 0.0619 0.1750 ( 4978 PWs) bands (ev): -48.0756 -48.0756 -47.0159 -47.0159 -47.0101 -47.0101 -20.1318 -20.1318 -19.9543 -19.9543 -19.9538 -19.9538 -19.0993 -19.0993 -19.0650 -19.0650 -18.9242 -18.9242 -18.9204 -18.9204 -18.8892 -18.8892 -18.8843 -18.8843 -4.6580 -4.6580 3.3488 3.3488 4.3008 4.3008 4.5969 4.5969 6.5699 6.5699 9.3656 9.3656 9.6203 9.6203 9.7382 9.7382 k = 0.0995 0.0574 0.1625 ( 4972 PWs) bands (ev): -48.0756 -48.0756 -47.0159 -47.0159 -47.0101 -47.0101 -20.1318 -20.1318 -19.9542 -19.9542 -19.9537 -19.9537 -19.0998 -19.0998 -19.0645 -19.0645 -18.9244 -18.9244 -18.9212 -18.9212 -18.8883 -18.8883 -18.8841 -18.8841 -4.6726 -4.6726 3.4408 3.4408 4.3360 4.3360 4.6044 4.6044 6.4674 6.4674 9.3707 9.3707 9.6571 9.6571 9.7042 9.7042 k = 0.0918 0.0530 0.1500 ( 4978 PWs) bands (ev): -48.0756 -48.0756 -47.0160 -47.0160 -47.0100 -47.0100 -20.1317 -20.1317 -19.9541 -19.9541 -19.9537 -19.9537 -19.1002 -19.1002 -19.0640 -19.0640 -18.9246 -18.9246 -18.9218 -18.9218 -18.8875 -18.8875 -18.8839 -18.8839 -4.6864 -4.6864 3.5353 3.5353 4.3684 4.3684 4.6116 4.6116 6.3635 6.3635 9.3781 9.3781 9.6705 9.6705 9.6819 9.6819 k = 0.0842 0.0486 0.1375 ( 4988 PWs) bands (ev): -48.0757 -48.0757 -47.0161 -47.0161 -47.0099 -47.0099 -20.1317 -20.1317 -19.9540 -19.9540 -19.9537 -19.9537 -19.1007 -19.1007 -19.0636 -19.0636 -18.9248 -18.9248 -18.9225 -18.9225 -18.8868 -18.8868 -18.8838 -18.8838 -4.6993 -4.6993 3.6319 3.6319 4.3978 4.3978 4.6187 4.6187 6.2583 6.2583 9.3875 9.3875 9.6429 9.6429 9.6882 9.6882 k = 0.0765 0.0442 0.1250 ( 4988 PWs) bands (ev): -48.0757 -48.0757 -47.0161 -47.0161 -47.0099 -47.0099 -20.1317 -20.1317 -19.9539 -19.9539 -19.9536 -19.9536 -19.1010 -19.1010 -19.0632 -19.0632 -18.9250 -18.9250 -18.9230 -18.9230 -18.8862 -18.8862 -18.8836 -18.8836 -4.7113 -4.7113 3.7303 3.7303 4.4243 4.4243 4.6258 4.6258 6.1519 6.1519 9.3984 9.3984 9.6165 9.6165 9.6824 9.6824 k = 0.0689 0.0398 0.1125 ( 4988 PWs) bands (ev): -48.0757 -48.0757 -47.0162 -47.0162 -47.0098 -47.0098 -20.1316 -20.1316 -19.9538 -19.9538 -19.9536 -19.9536 -19.1014 -19.1014 -19.0628 -19.0628 -18.9251 -18.9251 -18.9235 -18.9235 -18.8856 -18.8856 -18.8835 -18.8835 -4.7223 -4.7223 3.8299 3.8299 4.4480 4.4480 4.6330 4.6330 6.0446 6.0446 9.4105 9.4105 9.5925 9.5925 9.6660 9.6660 k = 0.0612 0.0353 0.1000 ( 4988 PWs) bands (ev): -48.0757 -48.0757 -47.0162 -47.0162 -47.0098 -47.0098 -20.1316 -20.1316 -19.9537 -19.9537 -19.9535 -19.9535 -19.1017 -19.1017 -19.0624 -19.0624 -18.9252 -18.9252 -18.9240 -18.9240 -18.8850 -18.8850 -18.8833 -18.8833 -4.7323 -4.7323 3.9300 3.9300 4.4692 4.4692 4.6402 4.6402 5.9368 5.9368 9.4231 9.4231 9.5711 9.5711 9.6424 9.6424 k = 0.0536 0.0309 0.0875 ( 4984 PWs) bands (ev): -48.0757 -48.0757 -47.0162 -47.0162 -47.0098 -47.0098 -20.1315 -20.1315 -19.9536 -19.9536 -19.9535 -19.9535 -19.1020 -19.1020 -19.0621 -19.0621 -18.9254 -18.9254 -18.9244 -18.9244 -18.8844 -18.8844 -18.8832 -18.8832 -4.7412 -4.7412 4.0294 4.0294 4.4885 4.4885 4.6474 4.6474 5.8291 5.8291 9.4359 9.4359 9.5522 9.5522 9.6151 9.6151 k = 0.0459 0.0265 0.0750 ( 4987 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0097 -47.0097 -20.1315 -20.1315 -19.9536 -19.9536 -19.9535 -19.9535 -19.1022 -19.1022 -19.0618 -19.0618 -18.9255 -18.9255 -18.9248 -18.9248 -18.8840 -18.8840 -18.8831 -18.8831 -4.7490 -4.7490 4.1266 4.1266 4.5070 4.5070 4.6543 4.6543 5.7222 5.7222 9.4483 9.4483 9.5358 9.5358 9.5871 9.5871 k = 0.0383 0.0221 0.0625 ( 4991 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9534 -19.9534 -19.1024 -19.1024 -19.0616 -19.0616 -18.9256 -18.9256 -18.9251 -18.9251 -18.8837 -18.8837 -18.8830 -18.8830 -4.7556 -4.7556 4.2187 4.2187 4.5265 4.5265 4.6608 4.6608 5.6173 5.6173 9.4597 9.4597 9.5219 9.5219 9.5605 9.5605 k = 0.0306 0.0177 0.0500 ( 4995 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9534 -19.9534 -19.1026 -19.1026 -19.0614 -19.0614 -18.9257 -18.9257 -18.9253 -18.9253 -18.8834 -18.8834 -18.8830 -18.8830 -4.7611 -4.7611 4.3005 4.3005 4.5506 4.5506 4.6665 4.6665 5.5164 5.5164 9.4696 9.4696 9.5106 9.5106 9.5372 9.5372 k = 0.0230 0.0133 0.0375 ( 4995 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9534 -19.9534 -19.1028 -19.1028 -19.0613 -19.0613 -18.9257 -18.9257 -18.9255 -18.9255 -18.8832 -18.8832 -18.8829 -18.8829 -4.7654 -4.7654 4.3650 4.3650 4.5833 4.5833 4.6713 4.6713 5.4228 5.4228 9.4772 9.4772 9.5019 9.5019 9.5185 9.5185 k = 0.0153 0.0088 0.0250 ( 4999 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0096 -47.0096 -20.1315 -20.1315 -19.9534 -19.9534 -19.9534 -19.9534 -19.1029 -19.1029 -19.0612 -19.0612 -18.9258 -18.9258 -18.9257 -18.9257 -18.8830 -18.8830 -18.8829 -18.8829 -4.7685 -4.7685 4.4066 4.4066 4.6245 4.6245 4.6749 4.6749 5.3423 5.3423 9.4813 9.4813 9.4967 9.4967 9.5053 9.5053 k = 0.0077 0.0044 0.0125 ( 5003 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0096 -47.0096 -20.1315 -20.1315 -19.9534 -19.9534 -19.9534 -19.9534 -19.1030 -19.1030 -19.0611 -19.0611 -18.9259 -18.9259 -18.9258 -18.9258 -18.8829 -18.8829 -18.8829 -18.8829 -4.7703 -4.7703 4.4278 4.4278 4.6622 4.6622 4.6771 4.6771 5.2847 5.2847 9.4812 9.4812 9.4955 9.4955 9.4980 9.4980 k = 0.0000 0.0000 0.0000 ( 5029 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9535 -19.9535 -19.1032 -19.1032 -19.0611 -19.0611 -18.9260 -18.9260 -18.9260 -18.9260 -18.8828 -18.8828 -18.8828 -18.8828 -4.7709 -4.7709 4.4341 4.4341 4.6778 4.6778 4.6778 4.6778 5.2632 5.2632 9.4803 9.4803 9.4957 9.4957 9.4957 9.4957 k = 0.0000 0.0000 0.0000 ( 5029 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9535 -19.9535 -19.1032 -19.1032 -19.0611 -19.0611 -18.9260 -18.9260 -18.9260 -18.9260 -18.8828 -18.8828 -18.8828 -18.8828 -4.7709 -4.7709 4.4341 4.4341 4.6778 4.6778 4.6778 4.6778 5.2632 5.2632 9.4803 9.4803 9.4957 9.4957 9.4957 9.4957 k = 0.0125 0.0072 0.0051 ( 4999 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0096 -47.0096 -20.1315 -20.1315 -19.9534 -19.9534 -19.9534 -19.9534 -19.1029 -19.1029 -19.0611 -19.0611 -18.9258 -18.9258 -18.9258 -18.9258 -18.8829 -18.8829 -18.8829 -18.8829 -4.7703 -4.7703 4.4278 4.4278 4.6620 4.6620 4.6773 4.6773 5.2847 5.2847 9.4813 9.4813 9.4958 9.4958 9.4976 9.4976 k = 0.0250 0.0144 0.0102 ( 4993 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0096 -47.0096 -20.1314 -20.1314 -19.9534 -19.9534 -19.9534 -19.9534 -19.1029 -19.1029 -19.0612 -19.0612 -18.9257 -18.9257 -18.9257 -18.9257 -18.8830 -18.8830 -18.8829 -18.8829 -4.7685 -4.7685 4.4063 4.4063 4.6242 4.6242 4.6758 4.6758 5.3421 5.3421 9.4828 9.4828 9.4975 9.4975 9.5031 9.5031 k = 0.0375 0.0217 0.0153 ( 4993 PWs) bands (ev): -48.0757 -48.0757 -47.0164 -47.0164 -47.0097 -47.0097 -20.1315 -20.1315 -19.9534 -19.9534 -19.9534 -19.9534 -19.1028 -19.1028 -19.0613 -19.0613 -18.9256 -18.9256 -18.9256 -18.9256 -18.8831 -18.8831 -18.8830 -18.8830 -4.7654 -4.7654 4.3634 4.3634 4.5837 4.5837 4.6732 4.6732 5.4220 5.4220 9.4820 9.4820 9.5036 9.5036 9.5121 9.5121 k = 0.0500 0.0289 0.0204 ( 4993 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9534 -19.9534 -19.1026 -19.1026 -19.0614 -19.0614 -18.9255 -18.9255 -18.9255 -18.9255 -18.8833 -18.8833 -18.8831 -18.8831 -4.7611 -4.7611 4.2965 4.2965 4.5533 4.5533 4.6696 4.6696 5.5145 5.5145 9.4787 9.4787 9.5143 9.5143 9.5243 9.5243 k = 0.0625 0.0361 0.0255 ( 4987 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9535 -19.9535 -19.1024 -19.1024 -19.0616 -19.0616 -18.9254 -18.9254 -18.9253 -18.9253 -18.8835 -18.8835 -18.8832 -18.8832 -4.7556 -4.7556 4.2114 4.2114 4.5330 4.5330 4.6651 4.6651 5.6135 5.6135 9.4742 9.4742 9.5284 9.5284 9.5392 9.5392 k = 0.0750 0.0433 0.0306 ( 4987 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0097 -47.0097 -20.1315 -20.1315 -19.9535 -19.9535 -19.9535 -19.9535 -19.1022 -19.1022 -19.0618 -19.0618 -18.9252 -18.9252 -18.9251 -18.9251 -18.8838 -18.8838 -18.8834 -18.8834 -4.7490 -4.7490 4.1156 4.1156 4.5185 4.5185 4.6597 4.6597 5.7155 5.7155 9.4692 9.4692 9.5448 9.5448 9.5564 9.5564 k = 0.0875 0.0505 0.0357 ( 4987 PWs) bands (ev): -48.0757 -48.0757 -47.0163 -47.0163 -47.0098 -47.0098 -20.1315 -20.1315 -19.9536 -19.9536 -19.9536 -19.9536 -19.1020 -19.1020 -19.0621 -19.0621 -18.9249 -18.9249 -18.9248 -18.9248 -18.8841 -18.8841 -18.8836 -18.8836 -4.7412 -4.7412 4.0141 4.0141 4.5069 4.5069 4.6534 4.6534 5.8184 5.8184 9.4646 9.4646 9.5625 9.5625 9.5748 9.5748 k = 0.1000 0.0577 0.0408 ( 4981 PWs) bands (ev): -48.0757 -48.0757 -47.0162 -47.0162 -47.0098 -47.0098 -20.1316 -20.1316 -19.9536 -19.9536 -19.9536 -19.9536 -19.1017 -19.1017 -19.0624 -19.0624 -18.9247 -18.9247 -18.9245 -18.9245 -18.8845 -18.8845 -18.8838 -18.8838 -4.7323 -4.7323 3.9097 3.9097 4.4964 4.4964 4.6463 4.6463 5.9207 5.9207 9.4610 9.4610 9.5804 9.5804 9.5934 9.5934 k = 0.1125 0.0650 0.0459 ( 4987 PWs) bands (ev): -48.0757 -48.0757 -47.0162 -47.0162 -47.0098 -47.0098 -20.1316 -20.1316 -19.9537 -19.9537 -19.9536 -19.9536 -19.1014 -19.1014 -19.0628 -19.0628 -18.9244 -18.9244 -18.9242 -18.9242 -18.8850 -18.8850 -18.8841 -18.8841 -4.7223 -4.7223 3.8041 3.8041 4.4865 4.4865 4.6384 4.6384 6.0213 6.0213 9.4589 9.4589 9.5969 9.5969 9.6105 9.6105 k = 0.1250 0.0722 0.0510 ( 4987 PWs) bands (ev): -48.0757 -48.0757 -47.0161 -47.0161 -47.0099 -47.0099 -20.1317 -20.1317 -19.9538 -19.9538 -19.9537 -19.9537 -19.1010 -19.1010 -19.0632 -19.0632 -18.9241 -18.9241 -18.9239 -18.9239 -18.8855 -18.8855 -18.8844 -18.8844 -4.7114 -4.7114 3.6983 3.6983 4.4765 4.4765 4.6299 4.6299 6.1193 6.1193 9.4591 9.4591 9.6100 9.6100 9.6243 9.6243 k = 0.1375 0.0794 0.0561 ( 4984 PWs) bands (ev): -48.0757 -48.0757 -47.0161 -47.0161 -47.0099 -47.0099 -20.1317 -20.1317 -19.9539 -19.9539 -19.9538 -19.9538 -19.1006 -19.1006 -19.0635 -19.0635 -18.9237 -18.9237 -18.9235 -18.9235 -18.8859 -18.8859 -18.8847 -18.8847 -4.6994 -4.6994 3.5930 3.5930 4.4665 4.4665 4.6207 4.6207 6.2138 6.2138 9.4622 9.4622 9.6175 9.6175 9.6324 9.6324 k = 0.1500 0.0866 0.0612 ( 4978 PWs) bands (ev): -48.0756 -48.0756 -47.0160 -47.0160 -47.0100 -47.0100 -20.1317 -20.1317 -19.9540 -19.9540 -19.9538 -19.9538 -19.1002 -19.1002 -19.0640 -19.0640 -18.9234 -18.9234 -18.9230 -18.9230 -18.8865 -18.8865 -18.8850 -18.8850 -4.6866 -4.6866 3.4886 3.4886 4.4563 4.4563 4.6110 4.6110 6.3043 6.3043 9.4687 9.4687 9.6174 9.6174 9.6325 9.6325 k = 0.1625 0.0938 0.0663 ( 4981 PWs) bands (ev): -48.0756 -48.0756 -47.0160 -47.0160 -47.0101 -47.0101 -20.1318 -20.1318 -19.9540 -19.9540 -19.9539 -19.9539 -19.0997 -19.0997 -19.0645 -19.0645 -18.9230 -18.9230 -18.9226 -18.9226 -18.8871 -18.8871 -18.8854 -18.8854 -4.6729 -4.6729 3.3854 3.3854 4.4458 4.4458 4.6009 4.6009 6.3900 6.3900 9.4790 9.4790 9.6079 9.6079 9.6231 9.6231 k = 0.1750 0.1010 0.0714 ( 4984 PWs) bands (ev): -48.0756 -48.0756 -47.0159 -47.0159 -47.0101 -47.0101 -20.1319 -20.1319 -19.9542 -19.9542 -19.9540 -19.9540 -19.0993 -19.0993 -19.0650 -19.0650 -18.9225 -18.9225 -18.9222 -18.9222 -18.8878 -18.8878 -18.8858 -18.8858 -4.6584 -4.6584 3.2839 3.2839 4.4352 4.4352 4.5904 4.5904 6.4704 6.4704 9.4935 9.4935 9.5889 9.5889 9.6037 9.6037 k = 0.1875 0.1083 0.0765 ( 4984 PWs) bands (ev): -48.0756 -48.0756 -47.0158 -47.0158 -47.0102 -47.0102 -20.1319 -20.1319 -19.9543 -19.9543 -19.9540 -19.9540 -19.0988 -19.0988 -19.0655 -19.0655 -18.9221 -18.9221 -18.9217 -18.9217 -18.8884 -18.8884 -18.8863 -18.8863 -4.6432 -4.6432 3.1843 3.1843 4.4243 4.4243 4.5796 4.5796 6.5450 6.5450 9.5116 9.5116 9.5616 9.5616 9.5750 9.5750 k = 0.2000 0.1155 0.0816 ( 4957 PWs) bands (ev): -48.0756 -48.0756 -47.0157 -47.0157 -47.0103 -47.0103 -20.1319 -20.1319 -19.9543 -19.9543 -19.9541 -19.9541 -19.0982 -19.0982 -19.0660 -19.0660 -18.9215 -18.9215 -18.9211 -18.9211 -18.8890 -18.8890 -18.8866 -18.8866 -4.6274 -4.6274 3.0867 3.0867 4.4133 4.4133 4.5686 4.5686 6.6135 6.6135 9.5177 9.5177 9.5387 9.5387 9.5435 9.5435 k = 0.2125 0.1227 0.0868 ( 4969 PWs) bands (ev): -48.0756 -48.0756 -47.0157 -47.0157 -47.0104 -47.0104 -20.1320 -20.1320 -19.9545 -19.9545 -19.9542 -19.9542 -19.0977 -19.0977 -19.0666 -19.0666 -18.9210 -18.9210 -18.9206 -18.9206 -18.8898 -18.8898 -18.8871 -18.8871 -4.6110 -4.6110 2.9915 2.9915 4.4023 4.4023 4.5575 4.5575 6.6756 6.6756 9.4805 9.4805 9.4968 9.4968 9.5676 9.5676 k = 0.2250 0.1299 0.0919 ( 4969 PWs) bands (ev): -48.0756 -48.0756 -47.0156 -47.0156 -47.0104 -47.0104 -20.1321 -20.1321 -19.9546 -19.9546 -19.9542 -19.9542 -19.0971 -19.0971 -19.0672 -19.0672 -18.9205 -18.9205 -18.9201 -18.9201 -18.8905 -18.8905 -18.8876 -18.8876 -4.5942 -4.5942 2.8986 2.8986 4.3912 4.3912 4.5462 4.5462 6.7313 6.7313 9.4359 9.4359 9.4512 9.4512 9.5993 9.5993 k = 0.2375 0.1371 0.0970 ( 4975 PWs) bands (ev): -48.0756 -48.0756 -47.0155 -47.0155 -47.0105 -47.0105 -20.1321 -20.1321 -19.9547 -19.9547 -19.9543 -19.9543 -19.0965 -19.0965 -19.0679 -19.0679 -18.9199 -18.9199 -18.9195 -18.9195 -18.8913 -18.8913 -18.8882 -18.8882 -4.5770 -4.5770 2.8085 2.8085 4.3802 4.3802 4.5350 4.5350 6.7806 6.7806 9.3888 9.3888 9.4035 9.4035 9.6348 9.6348 k = 0.2500 0.1443 0.1021 ( 4969 PWs) bands (ev): -48.0756 -48.0756 -47.0154 -47.0154 -47.0106 -47.0106 -20.1322 -20.1322 -19.9548 -19.9548 -19.9544 -19.9544 -19.0959 -19.0959 -19.0685 -19.0685 -18.9193 -18.9193 -18.9190 -18.9190 -18.8921 -18.8921 -18.8887 -18.8887 -4.5595 -4.5595 2.7211 2.7211 4.3692 4.3692 4.5238 4.5238 6.8236 6.8236 9.3407 9.3407 9.3548 9.3548 9.6729 9.6729 k = 0.2625 0.1516 0.1072 ( 4969 PWs) bands (ev): -48.0755 -48.0755 -47.0153 -47.0153 -47.0107 -47.0107 -20.1323 -20.1323 -19.9550 -19.9550 -19.9545 -19.9545 -19.0953 -19.0953 -19.0691 -19.0691 -18.9187 -18.9187 -18.9184 -18.9184 -18.8929 -18.8929 -18.8893 -18.8893 -4.5419 -4.5419 2.6368 2.6368 4.3584 4.3584 4.5128 4.5128 6.8606 6.8606 9.2924 9.2924 9.3061 9.3061 9.7125 9.7125 k = 0.2750 0.1588 0.1123 ( 4975 PWs) bands (ev): -48.0755 -48.0755 -47.0152 -47.0152 -47.0108 -47.0108 -20.1323 -20.1323 -19.9551 -19.9551 -19.9546 -19.9546 -19.0947 -19.0947 -19.0698 -19.0698 -18.9181 -18.9181 -18.9178 -18.9178 -18.8937 -18.8937 -18.8899 -18.8899 -4.5242 -4.5242 2.5555 2.5555 4.3478 4.3478 4.5020 4.5020 6.8921 6.8921 9.2448 9.2448 9.2582 9.2582 9.7525 9.7525 k = 0.2875 0.1660 0.1174 ( 4979 PWs) bands (ev): -48.0755 -48.0755 -47.0151 -47.0151 -47.0109 -47.0109 -20.1324 -20.1324 -19.9552 -19.9552 -19.9546 -19.9546 -19.0941 -19.0941 -19.0704 -19.0704 -18.9175 -18.9175 -18.9173 -18.9173 -18.8945 -18.8945 -18.8905 -18.8905 -4.5066 -4.5066 2.4776 2.4776 4.3375 4.3375 4.4914 4.4914 6.9184 6.9184 9.1984 9.1984 9.2114 9.2114 9.7915 9.7915 k = 0.3000 0.1732 0.1225 ( 4985 PWs) bands (ev): -48.0755 -48.0755 -47.0150 -47.0150 -47.0111 -47.0111 -20.1325 -20.1325 -19.9554 -19.9554 -19.9547 -19.9547 -19.0935 -19.0935 -19.0711 -19.0711 -18.9168 -18.9168 -18.9168 -18.9168 -18.8953 -18.8953 -18.8911 -18.8911 -4.4891 -4.4891 2.4030 2.4030 4.3275 4.3275 4.4812 4.4812 6.9400 6.9400 9.1536 9.1536 9.1663 9.1663 9.8284 9.8284 k = 0.3125 0.1804 0.1276 ( 4985 PWs) bands (ev): -48.0755 -48.0755 -47.0149 -47.0149 -47.0112 -47.0112 -20.1326 -20.1326 -19.9555 -19.9555 -19.9548 -19.9548 -19.0929 -19.0929 -19.0718 -19.0718 -18.9162 -18.9162 -18.9161 -18.9161 -18.8961 -18.8961 -18.8918 -18.8918 -4.4719 -4.4719 2.3321 2.3321 4.3179 4.3179 4.4713 4.4713 6.9576 6.9576 9.1107 9.1107 9.1232 9.1232 9.8622 9.8622 k = 0.3250 0.1876 0.1327 ( 4988 PWs) bands (ev): -48.0755 -48.0755 -47.0148 -47.0148 -47.0113 -47.0113 -20.1326 -20.1326 -19.9556 -19.9556 -19.9549 -19.9549 -19.0923 -19.0923 -19.0725 -19.0725 -18.9156 -18.9156 -18.9154 -18.9154 -18.8969 -18.8969 -18.8924 -18.8924 -4.4551 -4.4551 2.2649 2.2649 4.3086 4.3086 4.4619 4.4619 6.9716 6.9716 9.0699 9.0699 9.0821 9.0821 9.8922 9.8922 k = 0.3375 0.1949 0.1378 ( 4997 PWs) bands (ev): -48.0755 -48.0755 -47.0147 -47.0147 -47.0114 -47.0114 -20.1327 -20.1327 -19.9558 -19.9558 -19.9550 -19.9550 -19.0916 -19.0916 -19.0732 -19.0732 -18.9150 -18.9150 -18.9147 -18.9147 -18.8977 -18.8977 -18.8932 -18.8932 -4.4388 -4.4388 2.2016 2.2016 4.2999 4.2999 4.4529 4.4529 6.9825 6.9825 9.0315 9.0315 9.0435 9.0435 9.9178 9.9178 k = 0.3500 0.2021 0.1429 ( 4979 PWs) bands (ev): -48.0755 -48.0755 -47.0146 -47.0146 -47.0115 -47.0115 -20.1327 -20.1327 -19.9558 -19.9558 -19.9550 -19.9550 -19.0910 -19.0910 -19.0738 -19.0738 -18.9144 -18.9144 -18.9140 -18.9140 -18.8984 -18.8984 -18.8937 -18.8937 -4.4232 -4.4232 2.1423 2.1423 4.2916 4.2916 4.4444 4.4444 6.9907 6.9907 8.9955 8.9955 9.0073 9.0073 9.9389 9.9389 k = 0.3625 0.2093 0.1480 ( 4979 PWs) bands (ev): -48.0755 -48.0755 -47.0145 -47.0145 -47.0116 -47.0116 -20.1328 -20.1328 -19.9559 -19.9559 -19.9551 -19.9551 -19.0903 -19.0903 -19.0744 -19.0744 -18.9138 -18.9138 -18.9133 -18.9133 -18.8992 -18.8992 -18.8944 -18.8944 -4.4082 -4.4082 2.0872 2.0872 4.2838 4.2838 4.4365 4.4365 6.9969 6.9969 8.9621 8.9621 8.9737 8.9737 9.9557 9.9557 k = 0.3750 0.2165 0.1531 ( 4979 PWs) bands (ev): -48.0755 -48.0755 -47.0144 -47.0144 -47.0118 -47.0118 -20.1328 -20.1328 -19.9560 -19.9560 -19.9551 -19.9551 -19.0897 -19.0897 -19.0751 -19.0751 -18.9132 -18.9132 -18.9126 -18.9126 -18.8999 -18.8999 -18.8951 -18.8951 -4.3942 -4.3942 2.0364 2.0364 4.2766 4.2766 4.4291 4.4291 7.0012 7.0012 8.9313 8.9313 8.9428 8.9428 9.9685 9.9685 k = 0.3875 0.2237 0.1582 ( 4982 PWs) bands (ev): -48.0755 -48.0755 -47.0142 -47.0142 -47.0119 -47.0119 -20.1329 -20.1329 -19.9561 -19.9561 -19.9552 -19.9552 -19.0891 -19.0891 -19.0757 -19.0757 -18.9126 -18.9126 -18.9118 -18.9118 -18.9007 -18.9007 -18.8958 -18.8958 -4.3811 -4.3811 1.9900 1.9900 4.2700 4.2700 4.4223 4.4223 7.0042 7.0042 8.9034 8.9034 8.9147 8.9147 9.9778 9.9778 k = 0.4000 0.2309 0.1633 ( 4994 PWs) bands (ev): -48.0755 -48.0755 -47.0141 -47.0141 -47.0120 -47.0120 -20.1329 -20.1329 -19.9562 -19.9562 -19.9553 -19.9553 -19.0886 -19.0886 -19.0764 -19.0764 -18.9121 -18.9121 -18.9112 -18.9112 -18.9014 -18.9014 -18.8965 -18.8965 -4.3690 -4.3690 1.9481 1.9481 4.2641 4.2641 4.4162 4.4162 7.0060 7.0060 8.8782 8.8782 8.8894 8.8894 9.9842 9.9842 k = 0.4125 0.2382 0.1684 ( 4994 PWs) bands (ev): -48.0755 -48.0755 -47.0140 -47.0140 -47.0122 -47.0122 -20.1330 -20.1330 -19.9563 -19.9563 -19.9553 -19.9553 -19.0880 -19.0880 -19.0770 -19.0770 -18.9115 -18.9115 -18.9105 -18.9105 -18.9021 -18.9021 -18.8972 -18.8972 -4.3581 -4.3581 1.9108 1.9108 4.2587 4.2587 4.4108 4.4108 7.0071 7.0071 8.8559 8.8559 8.8670 8.8670 9.9882 9.9882 k = 0.4250 0.2454 0.1735 ( 4994 PWs) bands (ev): -48.0755 -48.0755 -47.0139 -47.0139 -47.0123 -47.0123 -20.1330 -20.1330 -19.9564 -19.9564 -19.9553 -19.9553 -19.0873 -19.0873 -19.0777 -19.0777 -18.9109 -18.9109 -18.9097 -18.9097 -18.9029 -18.9029 -18.8979 -18.8979 -4.3485 -4.3485 1.8783 1.8783 4.2541 4.2541 4.4060 4.4060 7.0075 7.0075 8.8365 8.8365 8.8475 8.8475 9.9905 9.9905 k = 0.4375 0.2526 0.1786 ( 4994 PWs) bands (ev): -48.0755 -48.0755 -47.0138 -47.0138 -47.0124 -47.0124 -20.1330 -20.1330 -19.9564 -19.9564 -19.9554 -19.9554 -19.0868 -19.0868 -19.0782 -19.0782 -18.9103 -18.9103 -18.9090 -18.9090 -18.9035 -18.9035 -18.8986 -18.8986 -4.3402 -4.3402 1.8507 1.8507 4.2501 4.2501 4.4019 4.4019 7.0076 7.0076 8.8200 8.8200 8.8309 8.8309 9.9915 9.9915 k = 0.4500 0.2598 0.1837 ( 4982 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0125 -47.0125 -20.1330 -20.1330 -19.9564 -19.9564 -19.9554 -19.9554 -19.0863 -19.0863 -19.0786 -19.0786 -18.9098 -18.9098 -18.9084 -18.9084 -18.9041 -18.9041 -18.8991 -18.8991 -4.3333 -4.3333 1.8280 1.8280 4.2469 4.2469 4.3986 4.3986 7.0075 7.0075 8.8065 8.8065 8.8174 8.8174 9.9918 9.9918 k = 0.4625 0.2670 0.1888 ( 4970 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1330 -20.1330 -19.9564 -19.9564 -19.9554 -19.9554 -19.0858 -19.0858 -19.0790 -19.0790 -18.9092 -18.9092 -18.9078 -18.9078 -18.9046 -18.9046 -18.8996 -18.8996 -4.3279 -4.3279 1.8102 1.8102 4.2443 4.2443 4.3960 4.3960 7.0072 7.0072 8.7960 8.7960 8.8068 8.8068 9.9916 9.9916 k = 0.4750 0.2742 0.1939 ( 4964 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0128 -47.0128 -20.1330 -20.1330 -19.9564 -19.9564 -19.9554 -19.9554 -19.0854 -19.0854 -19.0794 -19.0794 -18.9087 -18.9087 -18.9074 -18.9074 -18.9051 -18.9051 -18.9000 -18.9000 -4.3240 -4.3240 1.7975 1.7975 4.2425 4.2425 4.3941 4.3941 7.0070 7.0070 8.7885 8.7885 8.7992 8.7992 9.9912 9.9912 k = 0.4875 0.2815 0.1990 ( 4970 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0129 -47.0129 -20.1330 -20.1330 -19.9564 -19.9564 -19.9554 -19.9554 -19.0852 -19.0852 -19.0796 -19.0796 -18.9083 -18.9083 -18.9071 -18.9071 -18.9055 -18.9055 -18.9004 -18.9004 -4.3217 -4.3217 1.7898 1.7898 4.2414 4.2414 4.3930 4.3930 7.0068 7.0068 8.7840 8.7840 8.7947 8.7947 9.9910 9.9910 k = 0.5000 0.2887 0.2041 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0798 -19.0798 -18.9082 -18.9082 -18.9070 -18.9070 -18.9057 -18.9057 -18.9005 -18.9005 -4.3209 -4.3209 1.7873 1.7873 4.2410 4.2410 4.3926 4.3926 7.0067 7.0067 8.7825 8.7825 8.7932 8.7932 9.9908 9.9908 k = 0.5000 0.2887 0.2041 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0798 -19.0798 -18.9082 -18.9082 -18.9070 -18.9070 -18.9057 -18.9057 -18.9005 -18.9005 -4.3209 -4.3209 1.7873 1.7873 4.2410 4.2410 4.3926 4.3926 7.0067 7.0067 8.7825 8.7825 8.7932 8.7932 9.9908 9.9908 k = 0.5043 0.2762 0.2112 ( 4980 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9554 -19.9554 -19.0852 -19.0852 -19.0798 -19.0798 -18.9083 -18.9083 -18.9073 -18.9073 -18.9054 -18.9054 -18.9004 -18.9004 -4.3206 -4.3206 1.7885 1.7885 4.2376 4.2376 4.3890 4.3890 7.0138 7.0138 8.7759 8.7759 8.7929 8.7929 10.0011 10.0011 k = 0.5086 0.2638 0.2182 ( 4972 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1330 -20.1330 -19.9564 -19.9564 -19.9554 -19.9554 -19.0851 -19.0851 -19.0798 -19.0798 -18.9085 -18.9085 -18.9079 -18.9079 -18.9047 -18.9047 -18.9002 -18.9002 -4.3198 -4.3198 1.7921 1.7921 4.2272 4.2272 4.3790 4.3790 7.0348 7.0348 8.7485 8.7485 8.8010 8.8010 10.0306 10.0306 k = 0.5129 0.2513 0.2252 ( 4979 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9564 -19.9564 -19.9555 -19.9555 -19.0852 -19.0852 -19.0799 -19.0799 -18.9089 -18.9089 -18.9086 -18.9086 -18.9040 -18.9040 -18.8999 -18.8999 -4.3184 -4.3184 1.7980 1.7980 4.2088 4.2088 4.3639 4.3639 7.0688 7.0688 8.7043 8.7043 8.8165 8.8165 10.0760 10.0760 k = 0.5172 0.2389 0.2323 ( 4991 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0800 -19.0800 -18.9094 -18.9094 -18.9092 -18.9092 -18.9033 -18.9033 -18.8995 -18.8995 -4.3165 -4.3165 1.8064 1.8064 4.1812 4.1812 4.3462 4.3462 7.1145 7.1145 8.6483 8.6483 8.8384 8.8384 10.1330 10.1330 k = 0.5216 0.2265 0.2393 ( 4989 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0801 -19.0801 -18.9101 -18.9101 -18.9097 -18.9097 -18.9026 -18.9026 -18.8990 -18.8990 -4.3141 -4.3141 1.8171 1.8171 4.1438 4.1438 4.3275 4.3275 7.1703 7.1703 8.5850 8.5850 8.8665 8.8665 10.1971 10.1971 k = 0.5259 0.2140 0.2464 ( 4991 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9556 -19.9556 -19.0852 -19.0852 -19.0802 -19.0802 -18.9108 -18.9108 -18.9102 -18.9102 -18.9018 -18.9018 -18.8984 -18.8984 -4.3112 -4.3112 1.8301 1.8301 4.0970 4.0970 4.3089 4.3089 7.2340 7.2340 8.5181 8.5181 8.9005 8.9005 10.2644 10.2644 k = 0.5302 0.2016 0.2534 ( 4995 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1332 -20.1332 -19.9566 -19.9566 -19.9556 -19.9556 -19.0853 -19.0853 -19.0803 -19.0803 -18.9114 -18.9114 -18.9107 -18.9107 -18.9011 -18.9011 -18.8979 -18.8979 -4.3078 -4.3078 1.8455 1.8455 4.0419 4.0419 4.2905 4.2905 7.3027 7.3027 8.4515 8.4515 8.9402 8.9402 10.3313 10.3313 k = 0.5345 0.1891 0.2604 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1332 -20.1332 -19.9566 -19.9566 -19.9556 -19.9556 -19.0853 -19.0853 -19.0805 -19.0805 -18.9121 -18.9121 -18.9113 -18.9113 -18.9004 -18.9004 -18.8973 -18.8973 -4.3040 -4.3040 1.8632 1.8632 3.9801 3.9801 4.2723 4.2723 7.3729 7.3729 8.3892 8.3892 8.9856 8.9856 10.3945 10.3945 k = 0.5388 0.1767 0.2675 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1332 -20.1332 -19.9567 -19.9567 -19.9556 -19.9556 -19.0853 -19.0853 -19.0807 -19.0807 -18.9127 -18.9127 -18.9119 -18.9119 -18.8996 -18.8996 -18.8967 -18.8967 -4.2998 -4.2998 1.8831 1.8831 3.9131 3.9131 4.2538 4.2538 7.4398 7.4398 8.3362 8.3362 9.0362 9.0362 10.4511 10.4511 k = 0.5431 0.1642 0.2745 ( 4996 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1332 -20.1332 -19.9567 -19.9567 -19.9557 -19.9557 -19.0853 -19.0853 -19.0809 -19.0809 -18.9133 -18.9133 -18.9124 -18.9124 -18.8989 -18.8989 -18.8961 -18.8961 -4.2951 -4.2951 1.9053 1.9053 3.8423 3.8423 4.2350 4.2350 7.4967 7.4967 8.2990 8.2990 9.0919 9.0919 10.4985 10.4985 k = 0.5474 0.1518 0.2816 ( 4994 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1332 -20.1332 -19.9567 -19.9567 -19.9557 -19.9557 -19.0854 -19.0854 -19.0811 -19.0811 -18.9139 -18.9139 -18.9129 -18.9129 -18.8982 -18.8982 -18.8955 -18.8955 -4.2902 -4.2902 1.9298 1.9298 3.7687 3.7687 4.2158 4.2158 7.5358 7.5358 8.2852 8.2852 9.1524 9.1524 10.5346 10.5346 k = 0.5517 0.1394 0.2886 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1333 -20.1333 -19.9568 -19.9568 -19.9557 -19.9557 -19.0854 -19.0854 -19.0813 -19.0813 -18.9146 -18.9146 -18.9134 -18.9134 -18.8975 -18.8975 -18.8949 -18.8949 -4.2849 -4.2849 1.9564 1.9564 3.6932 3.6932 4.1961 4.1961 7.5504 7.5504 8.3009 8.3009 9.2173 9.2173 10.5576 10.5576 k = 0.5560 0.1269 0.2956 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1333 -20.1333 -19.9569 -19.9569 -19.9557 -19.9557 -19.0854 -19.0854 -19.0815 -19.0815 -18.9152 -18.9152 -18.9139 -18.9139 -18.8968 -18.8968 -18.8943 -18.8943 -4.2794 -4.2794 1.9852 1.9852 3.6168 3.6168 4.1760 4.1760 7.5394 7.5394 8.3466 8.3466 9.2864 9.2864 10.5668 10.5668 k = 0.5603 0.1145 0.3027 ( 4995 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1333 -20.1333 -19.9570 -19.9570 -19.9557 -19.9557 -19.0855 -19.0855 -19.0817 -19.0817 -18.9157 -18.9157 -18.9144 -18.9144 -18.8961 -18.8961 -18.8937 -18.8937 -4.2736 -4.2736 2.0160 2.0160 3.5399 3.5399 4.1556 4.1556 7.5075 7.5075 8.4172 8.4172 9.3593 9.3593 10.5623 10.5623 k = 0.5647 0.1020 0.3097 ( 4995 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1333 -20.1333 -19.9571 -19.9571 -19.9557 -19.9557 -19.0855 -19.0855 -19.0819 -19.0819 -18.9163 -18.9163 -18.9148 -18.9148 -18.8954 -18.8954 -18.8932 -18.8932 -4.2677 -4.2677 2.0488 2.0488 3.4633 3.4633 4.1350 4.1350 7.4613 7.4613 8.5049 8.5049 9.4356 9.4356 10.5452 10.5452 k = 0.5690 0.0896 0.3167 ( 4993 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1334 -20.1334 -19.9571 -19.9571 -19.9556 -19.9556 -19.0856 -19.0856 -19.0821 -19.0821 -18.9168 -18.9168 -18.9153 -18.9153 -18.8948 -18.8948 -18.8926 -18.8926 -4.2617 -4.2617 2.0836 2.0836 3.3874 3.3874 4.1143 4.1143 7.4063 7.4063 8.6032 8.6032 9.5148 9.5148 10.5178 10.5178 k = 0.5733 0.0771 0.3238 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1334 -20.1334 -19.9573 -19.9573 -19.9556 -19.9556 -19.0856 -19.0856 -19.0824 -19.0824 -18.9173 -18.9173 -18.9157 -18.9157 -18.8941 -18.8941 -18.8921 -18.8921 -4.2557 -4.2557 2.1203 2.1203 3.3127 3.3127 4.0936 4.0936 7.3466 7.3466 8.7065 8.7065 9.5964 9.5964 10.4831 10.4831 k = 0.5776 0.0647 0.3308 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1334 -20.1334 -19.9574 -19.9574 -19.9556 -19.9556 -19.0857 -19.0857 -19.0826 -19.0826 -18.9178 -18.9178 -18.9160 -18.9160 -18.8936 -18.8936 -18.8917 -18.8917 -4.2497 -4.2497 2.1586 2.1586 3.2396 3.2396 4.0730 4.0730 7.2846 7.2846 8.8104 8.8104 9.6801 9.6801 10.4451 10.4451 k = 0.5819 0.0523 0.3379 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0130 -47.0130 -20.1335 -20.1335 -19.9575 -19.9575 -19.9556 -19.9556 -19.0858 -19.0858 -19.0828 -19.0828 -18.9183 -18.9183 -18.9164 -18.9164 -18.8930 -18.8930 -18.8912 -18.8912 -4.2437 -4.2437 2.1986 2.1986 3.1685 3.1685 4.0527 4.0527 7.2220 7.2220 8.9105 8.9105 9.7651 9.7651 10.4082 10.4082 k = 0.5862 0.0398 0.3449 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0129 -47.0129 -20.1335 -20.1335 -19.9576 -19.9576 -19.9556 -19.9556 -19.0859 -19.0859 -19.0829 -19.0829 -18.9187 -18.9187 -18.9167 -18.9167 -18.8925 -18.8925 -18.8908 -18.8908 -4.2379 -4.2379 2.2399 2.2399 3.0999 3.0999 4.0328 4.0328 7.1598 7.1598 9.0023 9.0023 9.8509 9.8509 10.3775 10.3775 k = 0.5905 0.0274 0.3519 ( 5001 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0129 -47.0129 -20.1335 -20.1335 -19.9577 -19.9577 -19.9556 -19.9556 -19.0860 -19.0860 -19.0831 -19.0831 -18.9192 -18.9192 -18.9170 -18.9170 -18.8920 -18.8920 -18.8903 -18.8903 -4.2323 -4.2323 2.2823 2.2823 3.0341 3.0341 4.0133 4.0133 7.0989 7.0989 9.0808 9.0808 9.9367 9.9367 10.3587 10.3587 k = 0.5948 0.0149 0.3590 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0129 -47.0129 -20.1335 -20.1335 -19.9578 -19.9578 -19.9555 -19.9555 -19.0860 -19.0860 -19.0833 -19.0833 -18.9196 -18.9196 -18.9172 -18.9172 -18.8915 -18.8915 -18.8899 -18.8899 -4.2270 -4.2270 2.3255 2.3255 2.9717 2.9717 3.9944 3.9944 7.0397 7.0397 9.1408 9.1408 10.0217 10.0217 10.3572 10.3572 k = 0.5991 0.0025 0.3660 ( 5008 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0129 -47.0129 -20.1336 -20.1336 -19.9579 -19.9579 -19.9555 -19.9555 -19.0862 -19.0862 -19.0835 -19.0835 -18.9200 -18.9200 -18.9174 -18.9174 -18.8912 -18.8912 -18.8895 -18.8895 -4.2220 -4.2220 2.3687 2.3687 2.9136 2.9136 3.9762 3.9762 6.9825 6.9825 9.1783 9.1783 10.1053 10.1053 10.3770 10.3770 k = 0.6034-0.0100 0.3731 ( 5005 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0128 -47.0128 -20.1336 -20.1336 -19.9580 -19.9580 -19.9555 -19.9555 -19.0862 -19.0862 -19.0836 -19.0836 -18.9204 -18.9204 -18.9176 -18.9176 -18.8909 -18.8909 -18.8890 -18.8890 -4.2174 -4.2174 2.4108 2.4108 2.8609 2.8609 3.9587 3.9587 6.9278 6.9278 9.1921 9.1921 10.1864 10.1864 10.4189 10.4189 k = 0.6078-0.0224 0.3801 ( 5001 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0128 -47.0128 -20.1336 -20.1336 -19.9581 -19.9581 -19.9554 -19.9554 -19.0863 -19.0863 -19.0837 -19.0837 -18.9208 -18.9208 -18.9177 -18.9177 -18.8906 -18.8906 -18.8886 -18.8886 -4.2133 -4.2133 2.4498 2.4498 2.8158 2.8158 3.9421 3.9421 6.8756 6.8756 9.1837 9.1837 10.2644 10.2644 10.4800 10.4800 k = 0.6121-0.0348 0.3871 ( 4996 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0128 -47.0128 -20.1336 -20.1336 -19.9582 -19.9582 -19.9554 -19.9554 -19.0864 -19.0864 -19.0838 -19.0838 -18.9211 -18.9211 -18.9178 -18.9178 -18.8903 -18.8903 -18.8882 -18.8882 -4.2098 -4.2098 2.4819 2.4819 2.7820 2.7820 3.9264 3.9264 6.8262 6.8262 9.1573 9.1573 10.3386 10.3386 10.5535 10.5535 k = 0.6164-0.0473 0.3942 ( 4994 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1336 -20.1336 -19.9582 -19.9582 -19.9553 -19.9553 -19.0865 -19.0865 -19.0839 -19.0839 -18.9214 -18.9214 -18.9179 -18.9179 -18.8902 -18.8902 -18.8878 -18.8878 -4.2068 -4.2068 2.5012 2.5012 2.7656 2.7656 3.9117 3.9117 6.7796 6.7796 9.1174 9.1174 10.4081 10.4081 10.6299 10.6299 k = 0.6207-0.0597 0.4012 ( 4998 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1336 -20.1336 -19.9583 -19.9583 -19.9553 -19.9553 -19.0866 -19.0866 -19.0840 -19.0840 -18.9218 -18.9218 -18.9179 -18.9179 -18.8901 -18.8901 -18.8873 -18.8873 -4.2045 -4.2045 2.5028 2.5028 2.7714 2.7714 3.8981 3.8981 6.7361 6.7361 9.0681 9.0681 10.4725 10.4725 10.6967 10.6967 k = 0.6250-0.0722 0.4082 ( 5010 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0841 -19.0841 -18.9221 -18.9221 -18.9179 -18.9179 -18.8902 -18.8902 -18.8870 -18.8870 -4.2028 -4.2028 2.4886 2.4886 2.7975 2.7975 3.8856 3.8856 6.6956 6.6956 9.0128 9.0128 10.5312 10.5312 10.7411 10.7411 k = 0.6250-0.0722 0.4082 ( 5010 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0841 -19.0841 -18.9221 -18.9221 -18.9179 -18.9179 -18.8902 -18.8902 -18.8870 -18.8870 -4.2028 -4.2028 2.4886 2.4886 2.7975 2.7975 3.8856 3.8856 6.6956 6.6956 9.0128 9.0128 10.5312 10.5312 10.7411 10.7411 k = 0.6176-0.0679 0.4203 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0126 -47.0126 -20.1337 -20.1337 -19.9584 -19.9584 -19.9552 -19.9552 -19.0866 -19.0866 -19.0841 -19.0841 -18.9221 -18.9221 -18.9179 -18.9179 -18.8901 -18.8901 -18.8870 -18.8870 -4.2027 -4.2027 2.4897 2.4897 2.7982 2.7982 3.8805 3.8805 6.7023 6.7023 9.0144 9.0144 10.4718 10.4718 10.8024 10.8024 k = 0.6103-0.0637 0.4323 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0126 -47.0126 -20.1337 -20.1337 -19.9584 -19.9584 -19.9552 -19.9552 -19.0866 -19.0866 -19.0840 -19.0840 -18.9221 -18.9221 -18.9179 -18.9179 -18.8901 -18.8901 -18.8870 -18.8870 -4.2025 -4.2025 2.4927 2.4927 2.8003 2.8003 3.8654 3.8654 6.7221 6.7221 9.0191 9.0191 10.3644 10.3644 10.9149 10.9149 k = 0.6029-0.0594 0.4443 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0126 -47.0126 -20.1336 -20.1336 -19.9584 -19.9584 -19.9552 -19.9552 -19.0867 -19.0867 -19.0840 -19.0840 -18.9220 -18.9220 -18.9180 -18.9180 -18.8900 -18.8900 -18.8870 -18.8870 -4.2020 -4.2020 2.4978 2.4978 2.8037 2.8037 3.8409 3.8409 6.7543 6.7543 9.0269 9.0269 10.2499 10.2499 11.0328 11.0328 k = 0.5956-0.0552 0.4563 ( 4995 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1336 -20.1336 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0840 -19.0840 -18.9220 -18.9220 -18.9180 -18.9180 -18.8900 -18.8900 -18.8870 -18.8870 -4.2014 -4.2014 2.5049 2.5049 2.8085 2.8085 3.8079 3.8079 6.7977 6.7977 9.0375 9.0375 10.1363 10.1363 11.0628 11.0628 k = 0.5882-0.0509 0.4683 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0840 -19.0840 -18.9220 -18.9220 -18.9181 -18.9181 -18.8899 -18.8899 -18.8870 -18.8870 -4.2006 -4.2006 2.5140 2.5140 2.8144 2.8144 3.7676 3.7676 6.8510 6.8510 9.0508 9.0508 10.0263 10.0263 11.0056 11.0056 k = 0.5809-0.0467 0.4803 ( 5004 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0868 -19.0868 -19.0840 -19.0840 -18.9220 -18.9220 -18.9182 -18.9182 -18.8899 -18.8899 -18.8871 -18.8871 -4.1997 -4.1997 2.5251 2.5251 2.8214 2.8214 3.7214 3.7214 6.9122 6.9122 9.0661 9.0661 9.9219 9.9219 10.9345 10.9345 k = 0.5735-0.0425 0.4923 ( 5004 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9554 -19.9554 -19.0868 -19.0868 -19.0840 -19.0840 -18.9219 -18.9219 -18.9183 -18.9183 -18.8898 -18.8898 -18.8871 -18.8871 -4.1987 -4.1987 2.5382 2.5382 2.8292 2.8292 3.6706 3.6706 6.9797 6.9797 9.0827 9.0827 9.8250 9.8250 10.8551 10.8551 k = 0.5662-0.0382 0.5043 ( 5007 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9554 -19.9554 -19.0869 -19.0869 -19.0839 -19.0839 -18.9219 -18.9219 -18.9184 -18.9184 -18.8897 -18.8897 -18.8872 -18.8872 -4.1976 -4.1976 2.5531 2.5531 2.8375 2.8375 3.6167 3.6167 7.0513 7.0513 9.0987 9.0987 9.7386 9.7386 10.7697 10.7697 k = 0.5588-0.0340 0.5163 ( 5017 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0128 -47.0128 -20.1337 -20.1337 -19.9584 -19.9584 -19.9554 -19.9554 -19.0869 -19.0869 -19.0840 -19.0840 -18.9218 -18.9218 -18.9185 -18.9185 -18.8896 -18.8896 -18.8873 -18.8873 -4.1964 -4.1964 2.5699 2.5699 2.8458 2.8458 3.5613 3.5613 7.1248 7.1248 9.1117 9.1117 9.6665 9.6665 10.6798 10.6798 k = 0.5515-0.0297 0.5283 ( 5017 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0128 -47.0128 -20.1337 -20.1337 -19.9584 -19.9584 -19.9555 -19.9555 -19.0870 -19.0870 -19.0839 -19.0839 -18.9218 -18.9218 -18.9186 -18.9186 -18.8895 -18.8895 -18.8874 -18.8874 -4.1953 -4.1953 2.5885 2.5885 2.8537 2.8537 3.5059 3.5059 7.1979 7.1979 9.1176 9.1176 9.6142 9.6142 10.5865 10.5865 k = 0.5441-0.0255 0.5403 ( 5017 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0129 -47.0129 -20.1337 -20.1337 -19.9584 -19.9584 -19.9555 -19.9555 -19.0870 -19.0870 -19.0839 -19.0839 -18.9217 -18.9217 -18.9187 -18.9187 -18.8894 -18.8894 -18.8875 -18.8875 -4.1941 -4.1941 2.6088 2.6088 2.8603 2.8603 3.4523 3.4523 7.2682 7.2682 9.1126 9.1126 9.5871 9.5871 10.4908 10.4908 k = 0.5368-0.0212 0.5523 ( 5018 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0129 -47.0129 -20.1337 -20.1337 -19.9583 -19.9583 -19.9555 -19.9555 -19.0870 -19.0870 -19.0839 -19.0839 -18.9217 -18.9217 -18.9188 -18.9188 -18.8892 -18.8892 -18.8876 -18.8876 -4.1930 -4.1930 2.6306 2.6306 2.8645 2.8645 3.4023 3.4023 7.3333 7.3333 9.0958 9.0958 9.5879 9.5879 10.3935 10.3935 k = 0.5294-0.0170 0.5643 ( 5017 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0129 -47.0129 -20.1337 -20.1337 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0839 -19.0839 -18.9216 -18.9216 -18.9189 -18.9189 -18.8891 -18.8891 -18.8877 -18.8877 -4.1920 -4.1920 2.6538 2.6538 2.8650 2.8650 3.3580 3.3580 7.3905 7.3905 9.0709 9.0709 9.6147 9.6147 10.2953 10.2953 k = 0.5221-0.0127 0.5764 ( 5018 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0130 -47.0130 -20.1338 -20.1338 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0839 -19.0839 -18.9215 -18.9215 -18.9190 -18.9190 -18.8889 -18.8889 -18.8878 -18.8878 -4.1911 -4.1911 2.6777 2.6777 2.8607 2.8607 3.3218 3.3218 7.4374 7.4374 9.0444 9.0444 9.6626 9.6626 10.1968 10.1968 k = 0.5147-0.0085 0.5884 ( 5022 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1338 -20.1338 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0839 -19.0839 -18.9215 -18.9215 -18.9191 -18.9191 -18.8887 -18.8887 -18.8880 -18.8880 -4.1904 -4.1904 2.7014 2.7014 2.8512 2.8512 3.2955 3.2955 7.4721 7.4721 9.0219 9.0219 9.7274 9.7274 10.0987 10.0987 k = 0.5074-0.0042 0.6004 ( 5014 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0131 -47.0131 -20.1337 -20.1337 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0838 -19.0838 -18.9214 -18.9214 -18.9192 -18.9192 -18.8886 -18.8886 -18.8881 -18.8881 -4.1900 -4.1900 2.7219 2.7219 2.8386 2.8386 3.2800 3.2800 7.4932 7.4932 9.0071 9.0071 9.8050 9.8050 10.0024 10.0024 k = 0.5000-0.0000 0.6124 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9582 -19.9582 -19.9555 -19.9555 -19.0870 -19.0870 -19.0838 -19.0838 -18.9213 -18.9213 -18.9191 -18.9191 -18.8883 -18.8883 -18.8881 -18.8881 -4.1898 -4.1898 2.7315 2.7315 2.8314 2.8314 3.2751 3.2751 7.5002 7.5002 9.0020 9.0020 9.8721 9.8721 9.9293 9.9293 k = 0.5000-0.0000 0.6124 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9582 -19.9582 -19.9555 -19.9555 -19.0870 -19.0870 -19.0838 -19.0838 -18.9213 -18.9213 -18.9191 -18.9191 -18.8883 -18.8883 -18.8881 -18.8881 -4.1898 -4.1898 2.7315 2.7315 2.8314 2.8314 3.2751 3.2751 7.5002 7.5002 9.0020 9.0020 9.8721 9.8721 9.9293 9.9293 k = 0.5000 0.0087 0.6000 ( 5016 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0838 -19.0838 -18.9214 -18.9214 -18.9192 -18.9192 -18.8885 -18.8885 -18.8882 -18.8882 -4.1901 -4.1901 2.7287 2.7287 2.8288 2.8288 3.2832 3.2832 7.5009 7.5009 8.9947 8.9947 9.8774 9.8774 9.9348 9.9348 k = 0.5000 0.0175 0.5876 ( 5016 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9583 -19.9583 -19.9556 -19.9556 -19.0871 -19.0871 -19.0838 -19.0838 -18.9213 -18.9213 -18.9191 -18.9191 -18.8886 -18.8886 -18.8883 -18.8883 -4.1911 -4.1911 2.7184 2.7184 2.8246 2.8246 3.3061 3.3061 7.5029 7.5029 8.9737 8.9737 9.8918 9.8918 9.9519 9.9519 k = 0.5000 0.0262 0.5753 ( 5008 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9582 -19.9582 -19.9556 -19.9556 -19.0870 -19.0870 -19.0838 -19.0838 -18.9212 -18.9212 -18.9190 -18.9190 -18.8887 -18.8887 -18.8883 -18.8883 -4.1926 -4.1926 2.6970 2.6970 2.8254 2.8254 3.3405 3.3405 7.5065 7.5065 8.9409 8.9409 9.9122 9.9122 9.9814 9.9814 k = 0.5000 0.0350 0.5629 ( 5010 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9582 -19.9582 -19.9556 -19.9556 -19.0869 -19.0869 -19.0838 -19.0838 -18.9211 -18.9211 -18.9190 -18.9190 -18.8889 -18.8889 -18.8884 -18.8884 -4.1948 -4.1948 2.6647 2.6647 2.8346 2.8346 3.3827 3.3827 7.5116 7.5116 8.8987 8.8987 9.9366 9.9366 10.0220 10.0220 k = 0.5000 0.0437 0.5505 ( 5008 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9582 -19.9582 -19.9556 -19.9556 -19.0868 -19.0868 -19.0837 -19.0837 -18.9210 -18.9210 -18.9188 -18.9188 -18.8891 -18.8891 -18.8885 -18.8885 -4.1975 -4.1975 2.6249 2.6249 2.8514 2.8514 3.4302 3.4302 7.5186 7.5186 8.8495 8.8495 9.9649 9.9649 10.0705 10.0705 k = 0.5000 0.0525 0.5381 ( 5008 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9581 -19.9581 -19.9556 -19.9556 -19.0868 -19.0868 -19.0837 -19.0837 -18.9208 -18.9208 -18.9187 -18.9187 -18.8894 -18.8894 -18.8886 -18.8886 -4.2007 -4.2007 2.5807 2.5807 2.8745 2.8745 3.4809 3.4809 7.5275 7.5275 8.7950 8.7950 9.9971 9.9971 10.1230 10.1230 k = 0.5000 0.0612 0.5258 ( 5006 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1337 -20.1337 -19.9580 -19.9580 -19.9556 -19.9556 -19.0866 -19.0866 -19.0836 -19.0836 -18.9206 -18.9206 -18.9185 -18.9185 -18.8897 -18.8897 -18.8889 -18.8889 -4.2045 -4.2045 2.5341 2.5341 2.9031 2.9031 3.5335 3.5335 7.5387 7.5387 8.7367 8.7367 10.0333 10.0333 10.1755 10.1755 k = 0.5000 0.0700 0.5134 ( 5008 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1336 -20.1336 -19.9580 -19.9580 -19.9556 -19.9556 -19.0865 -19.0865 -19.0835 -19.0835 -18.9203 -18.9203 -18.9183 -18.9183 -18.8901 -18.8901 -18.8891 -18.8891 -4.2087 -4.2087 2.4865 2.4865 2.9367 2.9367 3.5869 3.5869 7.5524 7.5524 8.6757 8.6757 10.0730 10.0730 10.2235 10.2235 k = 0.5000 0.0787 0.5010 ( 5012 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1336 -20.1336 -19.9579 -19.9579 -19.9556 -19.9556 -19.0864 -19.0864 -19.0835 -19.0835 -18.9201 -18.9201 -18.9181 -18.9181 -18.8905 -18.8905 -18.8894 -18.8894 -4.2134 -4.2134 2.4386 2.4386 2.9748 2.9748 3.6404 3.6404 7.5689 7.5689 8.6126 8.6126 10.1157 10.1157 10.2613 10.2613 k = 0.5000 0.0875 0.4887 ( 5012 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1336 -20.1336 -19.9578 -19.9578 -19.9557 -19.9557 -19.0863 -19.0863 -19.0834 -19.0834 -18.9198 -18.9198 -18.9179 -18.9179 -18.8909 -18.8909 -18.8897 -18.8897 -4.2185 -4.2185 2.3911 2.3911 3.0173 3.0173 3.6935 3.6935 7.5885 7.5885 8.5478 8.5478 10.1596 10.1596 10.2826 10.2826 k = 0.5000 0.0962 0.4763 ( 5008 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1336 -20.1336 -19.9577 -19.9577 -19.9557 -19.9557 -19.0862 -19.0862 -19.0832 -19.0832 -18.9194 -18.9194 -18.9176 -18.9176 -18.8913 -18.8913 -18.8900 -18.8900 -4.2238 -4.2238 2.3443 2.3443 3.0640 3.0640 3.7457 3.7457 7.6115 7.6115 8.4817 8.4817 10.1993 10.1993 10.2842 10.2842 k = 0.5000 0.1050 0.4639 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1335 -20.1335 -19.9576 -19.9576 -19.9556 -19.9556 -19.0861 -19.0861 -19.0831 -19.0831 -18.9190 -18.9190 -18.9173 -18.9173 -18.8918 -18.8918 -18.8903 -18.8903 -4.2295 -4.2295 2.2986 2.2986 3.1145 3.1145 3.7967 3.7967 7.6381 7.6381 8.4142 8.4142 10.2044 10.2044 10.2908 10.2908 k = 0.5000 0.1137 0.4515 ( 5002 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1335 -20.1335 -19.9575 -19.9575 -19.9557 -19.9557 -19.0860 -19.0860 -19.0829 -19.0829 -18.9187 -18.9187 -18.9170 -18.9170 -18.8923 -18.8923 -18.8907 -18.8907 -4.2354 -4.2354 2.2542 2.2542 3.1687 3.1687 3.8461 3.8461 7.6686 7.6686 8.3454 8.3454 10.1487 10.1487 10.3287 10.3287 k = 0.5000 0.1225 0.4392 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1335 -20.1335 -19.9574 -19.9574 -19.9557 -19.9557 -19.0859 -19.0859 -19.0828 -19.0828 -18.9182 -18.9182 -18.9166 -18.9166 -18.8928 -18.8928 -18.8911 -18.8911 -4.2415 -4.2415 2.2112 2.2112 3.2264 3.2264 3.8937 3.8937 7.7032 7.7032 8.2752 8.2752 10.0608 10.0608 10.3750 10.3750 k = 0.5000 0.1312 0.4268 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1334 -20.1334 -19.9574 -19.9574 -19.9557 -19.9557 -19.0858 -19.0858 -19.0826 -19.0826 -18.9178 -18.9178 -18.9163 -18.9163 -18.8934 -18.8934 -18.8916 -18.8916 -4.2476 -4.2476 2.1698 2.1698 3.2872 3.2872 3.9392 3.9392 7.7419 7.7419 8.2034 8.2034 9.9563 9.9563 10.4212 10.4212 k = 0.5000 0.1400 0.4144 ( 4998 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1334 -20.1334 -19.9573 -19.9573 -19.9557 -19.9557 -19.0857 -19.0857 -19.0824 -19.0824 -18.9173 -18.9173 -18.9159 -18.9159 -18.8940 -18.8940 -18.8920 -18.8920 -4.2539 -4.2539 2.1302 2.1302 3.3510 3.3510 3.9825 3.9825 7.7850 7.7850 8.1299 8.1299 9.8438 9.8438 10.4641 10.4641 k = 0.5000 0.1487 0.4021 ( 4998 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1334 -20.1334 -19.9572 -19.9572 -19.9557 -19.9557 -19.0856 -19.0856 -19.0822 -19.0822 -18.9168 -18.9168 -18.9155 -18.9155 -18.8946 -18.8946 -18.8926 -18.8926 -4.2601 -4.2601 2.0924 2.0924 3.4172 3.4172 4.0234 4.0234 7.8322 7.8322 8.0547 8.0547 9.7290 9.7290 10.5015 10.5015 k = 0.5000 0.1575 0.3897 ( 4998 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1334 -20.1334 -19.9571 -19.9571 -19.9557 -19.9557 -19.0856 -19.0856 -19.0820 -19.0820 -18.9163 -18.9163 -18.9150 -18.9150 -18.8953 -18.8953 -18.8931 -18.8931 -4.2663 -4.2663 2.0565 2.0565 3.4856 3.4856 4.0619 4.0619 7.8829 7.8829 7.9783 7.9783 9.6158 9.6158 10.5312 10.5312 k = 0.5000 0.1662 0.3773 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1333 -20.1333 -19.9570 -19.9570 -19.9557 -19.9557 -19.0855 -19.0855 -19.0817 -19.0817 -18.9157 -18.9157 -18.9145 -18.9145 -18.8959 -18.8959 -18.8936 -18.8936 -4.2723 -4.2723 2.0227 2.0227 3.5558 3.5558 4.0979 4.0979 7.8915 7.8915 7.9462 7.9462 9.5068 9.5068 10.5508 10.5508 k = 0.5000 0.1750 0.3649 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1333 -20.1333 -19.9569 -19.9569 -19.9557 -19.9557 -19.0854 -19.0854 -19.0815 -19.0815 -18.9152 -18.9152 -18.9140 -18.9140 -18.8966 -18.8966 -18.8942 -18.8942 -4.2782 -4.2782 1.9910 1.9910 3.6271 3.6271 4.1314 4.1314 7.8130 7.8130 8.0034 8.0034 9.4038 9.4038 10.5585 10.5585 k = 0.5000 0.1837 0.3526 ( 4984 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1332 -20.1332 -19.9568 -19.9568 -19.9556 -19.9556 -19.0854 -19.0854 -19.0813 -19.0813 -18.9146 -18.9146 -18.9135 -18.9135 -18.8973 -18.8973 -18.8947 -18.8947 -4.2839 -4.2839 1.9614 1.9614 3.6991 3.6991 4.1623 4.1623 7.7300 7.7300 8.0673 8.0673 9.3082 9.3082 10.5530 10.5530 k = 0.5000 0.1925 0.3402 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1332 -20.1332 -19.9567 -19.9567 -19.9557 -19.9557 -19.0854 -19.0854 -19.0811 -19.0811 -18.9140 -18.9140 -18.9130 -18.9130 -18.8981 -18.8981 -18.8954 -18.8954 -4.2893 -4.2893 1.9340 1.9340 3.7710 3.7710 4.1909 4.1909 7.6455 7.6455 8.1351 8.1351 9.2205 9.2205 10.5335 10.5335 k = 0.5000 0.2012 0.3278 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1332 -20.1332 -19.9567 -19.9567 -19.9556 -19.9556 -19.0853 -19.0853 -19.0809 -19.0809 -18.9134 -18.9134 -18.9125 -18.9125 -18.8988 -18.8988 -18.8960 -18.8960 -4.2944 -4.2944 1.9088 1.9088 3.8419 3.8419 4.2173 4.2173 7.5606 7.5606 8.2061 8.2061 9.1414 9.1414 10.5005 10.5005 k = 0.5000 0.2099 0.3155 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1332 -20.1332 -19.9566 -19.9566 -19.9556 -19.9556 -19.0853 -19.0853 -19.0807 -19.0807 -18.9128 -18.9128 -18.9119 -18.9119 -18.8995 -18.8995 -18.8966 -18.8966 -4.2992 -4.2992 1.8859 1.8859 3.9110 3.9110 4.2416 4.2416 7.4764 7.4764 8.2795 8.2795 9.0708 9.0708 10.4553 10.4553 k = 0.5000 0.2187 0.3031 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1332 -20.1332 -19.9566 -19.9566 -19.9556 -19.9556 -19.0853 -19.0853 -19.0805 -19.0805 -18.9121 -18.9121 -18.9113 -18.9113 -18.9003 -18.9003 -18.8972 -18.8972 -4.3035 -4.3035 1.8654 1.8654 3.9770 3.9770 4.2641 4.2641 7.3942 7.3942 8.3546 8.3546 9.0088 9.0088 10.3999 10.3999 k = 0.5000 0.2274 0.2907 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1332 -20.1332 -19.9566 -19.9566 -19.9556 -19.9556 -19.0853 -19.0853 -19.0804 -19.0804 -18.9115 -18.9115 -18.9108 -18.9108 -18.9010 -18.9010 -18.8978 -18.8978 -4.3074 -4.3074 1.8472 1.8472 4.0384 4.0384 4.2853 4.2853 7.3155 7.3155 8.4303 8.4303 8.9551 8.9551 10.3372 10.3372 k = 0.5000 0.2362 0.2784 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9556 -19.9556 -19.0852 -19.0852 -19.0802 -19.0802 -18.9108 -18.9108 -18.9102 -18.9102 -18.9018 -18.9018 -18.8984 -18.8984 -4.3109 -4.3109 1.8314 1.8314 4.0937 4.0937 4.3056 4.3056 7.2420 7.2420 8.5050 8.5050 8.9095 8.9095 10.2700 10.2700 k = 0.5000 0.2449 0.2660 ( 4986 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0801 -19.0801 -18.9101 -18.9101 -18.9097 -18.9097 -18.9025 -18.9025 -18.8989 -18.8989 -4.3139 -4.3139 1.8179 1.8179 4.1412 4.1412 4.3254 4.3254 7.1755 7.1755 8.5769 8.5769 8.8716 8.8716 10.2018 10.2018 k = 0.5000 0.2537 0.2536 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0800 -19.0800 -18.9095 -18.9095 -18.9092 -18.9092 -18.9033 -18.9033 -18.8994 -18.8994 -4.3164 -4.3164 1.8069 1.8069 4.1794 4.1794 4.3448 4.3448 7.1177 7.1177 8.6435 8.6435 8.8411 8.8411 10.1365 10.1365 k = 0.5000 0.2624 0.2412 ( 4978 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9564 -19.9564 -19.9555 -19.9555 -19.0852 -19.0852 -19.0799 -19.0799 -18.9089 -18.9089 -18.9086 -18.9086 -18.9040 -18.9040 -18.8998 -18.8998 -4.3183 -4.3183 1.7983 1.7983 4.2078 4.2078 4.3632 4.3632 7.0706 7.0706 8.7016 8.7016 8.8177 8.8177 10.0783 10.0783 k = 0.5000 0.2712 0.2289 ( 4970 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1330 -20.1330 -19.9564 -19.9564 -19.9554 -19.9554 -19.0851 -19.0851 -19.0798 -19.0798 -18.9085 -18.9085 -18.9079 -18.9079 -18.9047 -18.9047 -18.9001 -18.9001 -4.3197 -4.3197 1.7922 1.7922 4.2268 4.2268 4.3786 4.3786 7.0356 7.0356 8.7473 8.7473 8.8014 8.8014 10.0317 10.0317 k = 0.5000 0.2799 0.2165 ( 4980 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9554 -19.9554 -19.0852 -19.0852 -19.0798 -19.0798 -18.9083 -18.9083 -18.9074 -18.9074 -18.9054 -18.9054 -18.9004 -18.9004 -4.3206 -4.3206 1.7885 1.7885 4.2375 4.2375 4.3889 4.3889 7.0140 7.0140 8.7757 8.7757 8.7929 8.7929 10.0014 10.0014 k = 0.5000 0.2887 0.2041 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0798 -19.0798 -18.9082 -18.9082 -18.9070 -18.9070 -18.9057 -18.9057 -18.9005 -18.9005 -4.3209 -4.3209 1.7873 1.7873 4.2410 4.2410 4.3926 4.3926 7.0067 7.0067 8.7825 8.7825 8.7932 8.7932 9.9908 9.9908 k = 0.5000 0.2887 0.2041 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0798 -19.0798 -18.9082 -18.9082 -18.9070 -18.9070 -18.9057 -18.9057 -18.9005 -18.9005 -4.3209 -4.3209 1.7873 1.7873 4.2410 4.2410 4.3926 4.3926 7.0067 7.0067 8.7825 8.7825 8.7932 8.7932 9.9908 9.9908 k = 0.4957 0.2862 0.2182 ( 4980 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9554 -19.9554 -19.0852 -19.0852 -19.0798 -19.0798 -18.9083 -18.9083 -18.9073 -18.9073 -18.9054 -18.9054 -18.9004 -18.9004 -4.3206 -4.3206 1.7885 1.7885 4.2376 4.2376 4.3890 4.3890 7.0138 7.0138 8.7759 8.7759 8.7929 8.7929 10.0011 10.0011 k = 0.4914 0.2837 0.2323 ( 4972 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1330 -20.1330 -19.9564 -19.9564 -19.9554 -19.9554 -19.0851 -19.0851 -19.0798 -19.0798 -18.9085 -18.9085 -18.9079 -18.9079 -18.9047 -18.9047 -18.9002 -18.9002 -4.3198 -4.3198 1.7921 1.7921 4.2272 4.2272 4.3790 4.3790 7.0348 7.0348 8.7485 8.7485 8.8010 8.8010 10.0306 10.0306 k = 0.4871 0.2812 0.2464 ( 4979 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9564 -19.9564 -19.9555 -19.9555 -19.0852 -19.0852 -19.0799 -19.0799 -18.9089 -18.9089 -18.9086 -18.9086 -18.9040 -18.9040 -18.8999 -18.8999 -4.3184 -4.3184 1.7980 1.7980 4.2088 4.2088 4.3639 4.3639 7.0688 7.0688 8.7043 8.7043 8.8165 8.8165 10.0760 10.0760 k = 0.4828 0.2787 0.2604 ( 4991 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0800 -19.0800 -18.9094 -18.9094 -18.9092 -18.9092 -18.9033 -18.9033 -18.8995 -18.8995 -4.3165 -4.3165 1.8064 1.8064 4.1812 4.1812 4.3462 4.3462 7.1145 7.1145 8.6483 8.6483 8.8384 8.8384 10.1330 10.1330 k = 0.4784 0.2762 0.2745 ( 4989 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9555 -19.9555 -19.0852 -19.0852 -19.0801 -19.0801 -18.9101 -18.9101 -18.9097 -18.9097 -18.9026 -18.9026 -18.8990 -18.8990 -4.3141 -4.3141 1.8171 1.8171 4.1438 4.1438 4.3275 4.3275 7.1703 7.1703 8.5850 8.5850 8.8665 8.8665 10.1971 10.1971 k = 0.4741 0.2737 0.2886 ( 4991 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1331 -20.1331 -19.9565 -19.9565 -19.9556 -19.9556 -19.0852 -19.0852 -19.0802 -19.0802 -18.9108 -18.9108 -18.9102 -18.9102 -18.9018 -18.9018 -18.8984 -18.8984 -4.3112 -4.3112 1.8301 1.8301 4.0970 4.0970 4.3089 4.3089 7.2340 7.2340 8.5181 8.5181 8.9005 8.9005 10.2644 10.2644 k = 0.4698 0.2713 0.3027 ( 4995 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1332 -20.1332 -19.9566 -19.9566 -19.9556 -19.9556 -19.0853 -19.0853 -19.0803 -19.0803 -18.9114 -18.9114 -18.9107 -18.9107 -18.9011 -18.9011 -18.8979 -18.8979 -4.3078 -4.3078 1.8455 1.8455 4.0419 4.0419 4.2905 4.2905 7.3027 7.3027 8.4515 8.4515 8.9402 8.9402 10.3313 10.3313 k = 0.4655 0.2688 0.3167 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1332 -20.1332 -19.9566 -19.9566 -19.9556 -19.9556 -19.0853 -19.0853 -19.0805 -19.0805 -18.9121 -18.9121 -18.9113 -18.9113 -18.9004 -18.9004 -18.8973 -18.8973 -4.3040 -4.3040 1.8632 1.8632 3.9801 3.9801 4.2723 4.2723 7.3729 7.3729 8.3892 8.3892 8.9856 8.9856 10.3945 10.3945 k = 0.4612 0.2663 0.3308 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1332 -20.1332 -19.9567 -19.9567 -19.9556 -19.9556 -19.0853 -19.0853 -19.0807 -19.0807 -18.9127 -18.9127 -18.9119 -18.9119 -18.8996 -18.8996 -18.8967 -18.8967 -4.2998 -4.2998 1.8831 1.8831 3.9131 3.9131 4.2538 4.2538 7.4398 7.4398 8.3362 8.3362 9.0362 9.0362 10.4511 10.4511 k = 0.4569 0.2638 0.3449 ( 4996 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1332 -20.1332 -19.9567 -19.9567 -19.9557 -19.9557 -19.0853 -19.0853 -19.0809 -19.0809 -18.9133 -18.9133 -18.9124 -18.9124 -18.8989 -18.8989 -18.8961 -18.8961 -4.2951 -4.2951 1.9053 1.9053 3.8423 3.8423 4.2350 4.2350 7.4967 7.4967 8.2990 8.2990 9.0919 9.0919 10.4985 10.4985 k = 0.4526 0.2613 0.3590 ( 4994 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0130 -47.0130 -20.1332 -20.1332 -19.9567 -19.9567 -19.9557 -19.9557 -19.0854 -19.0854 -19.0811 -19.0811 -18.9139 -18.9139 -18.9129 -18.9129 -18.8982 -18.8982 -18.8955 -18.8955 -4.2902 -4.2902 1.9298 1.9298 3.7687 3.7687 4.2158 4.2158 7.5358 7.5358 8.2852 8.2852 9.1524 9.1524 10.5346 10.5346 k = 0.4483 0.2588 0.3731 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0131 -47.0131 -47.0131 -47.0131 -20.1333 -20.1333 -19.9568 -19.9568 -19.9557 -19.9557 -19.0854 -19.0854 -19.0813 -19.0813 -18.9146 -18.9146 -18.9134 -18.9134 -18.8975 -18.8975 -18.8949 -18.8949 -4.2849 -4.2849 1.9564 1.9564 3.6932 3.6932 4.1961 4.1961 7.5504 7.5504 8.3009 8.3009 9.2173 9.2173 10.5576 10.5576 k = 0.4440 0.2563 0.3871 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1333 -20.1333 -19.9569 -19.9569 -19.9557 -19.9557 -19.0854 -19.0854 -19.0815 -19.0815 -18.9152 -18.9152 -18.9139 -18.9139 -18.8968 -18.8968 -18.8943 -18.8943 -4.2794 -4.2794 1.9852 1.9852 3.6168 3.6168 4.1760 4.1760 7.5394 7.5394 8.3466 8.3466 9.2864 9.2864 10.5668 10.5668 k = 0.4397 0.2538 0.4012 ( 4995 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1333 -20.1333 -19.9570 -19.9570 -19.9557 -19.9557 -19.0855 -19.0855 -19.0817 -19.0817 -18.9157 -18.9157 -18.9144 -18.9144 -18.8961 -18.8961 -18.8937 -18.8937 -4.2736 -4.2736 2.0160 2.0160 3.5399 3.5399 4.1556 4.1556 7.5075 7.5075 8.4172 8.4172 9.3593 9.3593 10.5623 10.5623 k = 0.4353 0.2513 0.4153 ( 4995 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1333 -20.1333 -19.9571 -19.9571 -19.9557 -19.9557 -19.0855 -19.0855 -19.0819 -19.0819 -18.9163 -18.9163 -18.9148 -18.9148 -18.8954 -18.8954 -18.8932 -18.8932 -4.2677 -4.2677 2.0488 2.0488 3.4633 3.4633 4.1350 4.1350 7.4613 7.4613 8.5049 8.5049 9.4356 9.4356 10.5452 10.5452 k = 0.4310 0.2489 0.4294 ( 4993 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1334 -20.1334 -19.9571 -19.9571 -19.9556 -19.9556 -19.0856 -19.0856 -19.0821 -19.0821 -18.9168 -18.9168 -18.9153 -18.9153 -18.8948 -18.8948 -18.8926 -18.8926 -4.2617 -4.2617 2.0836 2.0836 3.3874 3.3874 4.1143 4.1143 7.4063 7.4063 8.6032 8.6032 9.5148 9.5148 10.5178 10.5178 k = 0.4267 0.2464 0.4434 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1334 -20.1334 -19.9573 -19.9573 -19.9556 -19.9556 -19.0856 -19.0856 -19.0824 -19.0824 -18.9173 -18.9173 -18.9157 -18.9157 -18.8941 -18.8941 -18.8921 -18.8921 -4.2557 -4.2557 2.1203 2.1203 3.3127 3.3127 4.0936 4.0936 7.3466 7.3466 8.7065 8.7065 9.5964 9.5964 10.4831 10.4831 k = 0.4224 0.2439 0.4575 ( 5000 PWs) bands (ev): -48.0754 -48.0754 -47.0132 -47.0132 -47.0130 -47.0130 -20.1334 -20.1334 -19.9574 -19.9574 -19.9556 -19.9556 -19.0857 -19.0857 -19.0826 -19.0826 -18.9178 -18.9178 -18.9160 -18.9160 -18.8936 -18.8936 -18.8917 -18.8917 -4.2497 -4.2497 2.1586 2.1586 3.2396 3.2396 4.0730 4.0730 7.2846 7.2846 8.8104 8.8104 9.6801 9.6801 10.4451 10.4451 k = 0.4181 0.2414 0.4716 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0130 -47.0130 -20.1335 -20.1335 -19.9575 -19.9575 -19.9556 -19.9556 -19.0858 -19.0858 -19.0828 -19.0828 -18.9183 -18.9183 -18.9164 -18.9164 -18.8930 -18.8930 -18.8912 -18.8912 -4.2437 -4.2437 2.1986 2.1986 3.1685 3.1685 4.0527 4.0527 7.2220 7.2220 8.9105 8.9105 9.7651 9.7651 10.4082 10.4082 k = 0.4138 0.2389 0.4857 ( 4999 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0129 -47.0129 -20.1335 -20.1335 -19.9576 -19.9576 -19.9556 -19.9556 -19.0859 -19.0859 -19.0829 -19.0829 -18.9187 -18.9187 -18.9167 -18.9167 -18.8925 -18.8925 -18.8908 -18.8908 -4.2379 -4.2379 2.2399 2.2399 3.0999 3.0999 4.0328 4.0328 7.1598 7.1598 9.0023 9.0023 9.8509 9.8509 10.3775 10.3775 k = 0.4095 0.2364 0.4998 ( 5001 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0129 -47.0129 -20.1335 -20.1335 -19.9577 -19.9577 -19.9556 -19.9556 -19.0860 -19.0860 -19.0831 -19.0831 -18.9192 -18.9192 -18.9170 -18.9170 -18.8920 -18.8920 -18.8903 -18.8903 -4.2323 -4.2323 2.2823 2.2823 3.0341 3.0341 4.0133 4.0133 7.0989 7.0989 9.0808 9.0808 9.9367 9.9367 10.3587 10.3587 k = 0.4052 0.2339 0.5138 ( 4997 PWs) bands (ev): -48.0754 -48.0754 -47.0133 -47.0133 -47.0129 -47.0129 -20.1335 -20.1335 -19.9578 -19.9578 -19.9555 -19.9555 -19.0860 -19.0860 -19.0833 -19.0833 -18.9196 -18.9196 -18.9172 -18.9172 -18.8915 -18.8915 -18.8899 -18.8899 -4.2270 -4.2270 2.3255 2.3255 2.9717 2.9717 3.9944 3.9944 7.0397 7.0397 9.1408 9.1408 10.0217 10.0217 10.3572 10.3572 k = 0.4009 0.2314 0.5279 ( 5008 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0129 -47.0129 -20.1336 -20.1336 -19.9579 -19.9579 -19.9555 -19.9555 -19.0862 -19.0862 -19.0835 -19.0835 -18.9200 -18.9200 -18.9174 -18.9174 -18.8912 -18.8912 -18.8895 -18.8895 -4.2220 -4.2220 2.3687 2.3687 2.9136 2.9136 3.9762 3.9762 6.9825 6.9825 9.1783 9.1783 10.1053 10.1053 10.3770 10.3770 k = 0.3966 0.2289 0.5420 ( 5005 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0128 -47.0128 -20.1336 -20.1336 -19.9580 -19.9580 -19.9555 -19.9555 -19.0862 -19.0862 -19.0836 -19.0836 -18.9204 -18.9204 -18.9176 -18.9176 -18.8909 -18.8909 -18.8890 -18.8890 -4.2174 -4.2174 2.4108 2.4108 2.8609 2.8609 3.9587 3.9587 6.9278 6.9278 9.1921 9.1921 10.1864 10.1864 10.4189 10.4189 k = 0.3922 0.2265 0.5561 ( 5001 PWs) bands (ev): -48.0754 -48.0754 -47.0134 -47.0134 -47.0128 -47.0128 -20.1336 -20.1336 -19.9581 -19.9581 -19.9554 -19.9554 -19.0863 -19.0863 -19.0837 -19.0837 -18.9208 -18.9208 -18.9177 -18.9177 -18.8906 -18.8906 -18.8886 -18.8886 -4.2133 -4.2133 2.4498 2.4498 2.8158 2.8158 3.9421 3.9421 6.8756 6.8756 9.1837 9.1837 10.2644 10.2644 10.4800 10.4800 k = 0.3879 0.2240 0.5701 ( 4996 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0128 -47.0128 -20.1336 -20.1336 -19.9582 -19.9582 -19.9554 -19.9554 -19.0864 -19.0864 -19.0838 -19.0838 -18.9211 -18.9211 -18.9178 -18.9178 -18.8903 -18.8903 -18.8882 -18.8882 -4.2098 -4.2098 2.4819 2.4819 2.7820 2.7820 3.9264 3.9264 6.8262 6.8262 9.1573 9.1573 10.3386 10.3386 10.5535 10.5535 k = 0.3836 0.2215 0.5842 ( 4994 PWs) bands (ev): -48.0754 -48.0754 -47.0135 -47.0135 -47.0127 -47.0127 -20.1336 -20.1336 -19.9582 -19.9582 -19.9553 -19.9553 -19.0865 -19.0865 -19.0839 -19.0839 -18.9214 -18.9214 -18.9179 -18.9179 -18.8902 -18.8902 -18.8878 -18.8878 -4.2068 -4.2068 2.5012 2.5012 2.7656 2.7656 3.9117 3.9117 6.7796 6.7796 9.1174 9.1174 10.4081 10.4081 10.6299 10.6299 k = 0.3793 0.2190 0.5983 ( 4998 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1336 -20.1336 -19.9583 -19.9583 -19.9553 -19.9553 -19.0866 -19.0866 -19.0840 -19.0840 -18.9218 -18.9218 -18.9179 -18.9179 -18.8901 -18.8901 -18.8873 -18.8873 -4.2045 -4.2045 2.5028 2.5028 2.7714 2.7714 3.8981 3.8981 6.7361 6.7361 9.0681 9.0681 10.4725 10.4725 10.6967 10.6967 k = 0.3750 0.2165 0.6124 ( 5010 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0841 -19.0841 -18.9221 -18.9221 -18.9179 -18.9179 -18.8902 -18.8902 -18.8870 -18.8870 -4.2028 -4.2028 2.4886 2.4886 2.7975 2.7975 3.8856 3.8856 6.6956 6.6956 9.0128 9.0128 10.5312 10.5312 10.7411 10.7411 k = 0.6250-0.0722 0.4082 ( 5010 PWs) bands (ev): -48.0754 -48.0754 -47.0136 -47.0136 -47.0127 -47.0127 -20.1337 -20.1337 -19.9584 -19.9584 -19.9553 -19.9553 -19.0867 -19.0867 -19.0841 -19.0841 -18.9221 -18.9221 -18.9179 -18.9179 -18.8902 -18.8902 -18.8870 -18.8870 -4.2028 -4.2028 2.4886 2.4886 2.7975 2.7975 3.8856 3.8856 6.6956 6.6956 9.0128 9.0128 10.5312 10.5312 10.7411 10.7411 k = 0.6176-0.0849 0.4082 ( 5002 PWs) bands (ev): -48.0754 -48.0754 -47.0137 -47.0137 -47.0126 -47.0126 -20.1337 -20.1337 -19.9585 -19.9585 -19.9552 -19.9552 -19.0868 -19.0868 -19.0841 -19.0841 -18.9226 -18.9226 -18.9179 -18.9179 -18.8901 -18.8901 -18.8863 -18.8863 -4.2009 -4.2009 2.4554 2.4554 2.8570 2.8570 3.8657 3.8657 6.6295 6.6295 8.9106 8.9106 10.6275 10.6275 10.8008 10.8008 k = 0.6103-0.0976 0.4082 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0137 -47.0137 -47.0125 -47.0125 -20.1336 -20.1336 -19.9586 -19.9586 -19.9551 -19.9551 -19.0869 -19.0869 -19.0842 -19.0842 -18.9230 -18.9230 -18.9178 -18.9178 -18.8901 -18.8901 -18.8856 -18.8856 -4.1995 -4.1995 2.4235 2.4235 2.9195 2.9195 3.8469 3.8469 6.5637 6.5637 8.8027 8.8027 10.7258 10.7258 10.8738 10.8738 k = 0.6029-0.1104 0.4082 ( 4984 PWs) bands (ev): -48.0754 -48.0754 -47.0138 -47.0138 -47.0124 -47.0124 -20.1336 -20.1336 -19.9587 -19.9587 -19.9550 -19.9550 -19.0870 -19.0870 -19.0842 -19.0842 -18.9234 -18.9234 -18.9177 -18.9177 -18.8901 -18.8901 -18.8851 -18.8851 -4.1984 -4.1984 2.3932 2.3932 2.9842 2.9842 3.8291 3.8291 6.4982 6.4982 8.6931 8.6931 10.8259 10.8259 10.9564 10.9564 k = 0.5956-0.1231 0.4082 ( 4984 PWs) bands (ev): -48.0754 -48.0754 -47.0139 -47.0139 -47.0123 -47.0123 -20.1336 -20.1336 -19.9588 -19.9588 -19.9549 -19.9549 -19.0871 -19.0871 -19.0843 -19.0843 -18.9238 -18.9238 -18.9177 -18.9177 -18.8901 -18.8901 -18.8845 -18.8845 -4.1976 -4.1976 2.3647 2.3647 3.0505 3.0505 3.8124 3.8124 6.4329 6.4329 8.5844 8.5844 10.9276 10.9276 11.0460 11.0460 k = 0.5882-0.1358 0.4082 ( 4984 PWs) bands (ev): -48.0754 -48.0754 -47.0139 -47.0139 -47.0123 -47.0123 -20.1336 -20.1336 -19.9588 -19.9588 -19.9548 -19.9548 -19.0873 -19.0873 -19.0843 -19.0843 -18.9241 -18.9241 -18.9177 -18.9177 -18.8901 -18.8901 -18.8840 -18.8840 -4.1971 -4.1971 2.3381 2.3381 3.1179 3.1179 3.7969 3.7969 6.3681 6.3681 8.4790 8.4790 11.0302 11.0302 11.1405 11.1405 k = 0.5809-0.1486 0.4082 ( 4984 PWs) bands (ev): -48.0754 -48.0754 -47.0140 -47.0140 -47.0122 -47.0122 -20.1336 -20.1336 -19.9589 -19.9589 -19.9547 -19.9547 -19.0874 -19.0874 -19.0844 -19.0844 -18.9245 -18.9245 -18.9176 -18.9176 -18.8901 -18.8901 -18.8835 -18.8835 -4.1968 -4.1968 2.3134 2.3134 3.1856 3.1856 3.7827 3.7827 6.3037 6.3037 8.3785 8.3785 11.1334 11.1334 11.2382 11.2382 k = 0.5735-0.1613 0.4082 ( 4972 PWs) bands (ev): -48.0753 -48.0753 -47.0140 -47.0140 -47.0122 -47.0122 -20.1336 -20.1336 -19.9590 -19.9590 -19.9546 -19.9546 -19.0875 -19.0875 -19.0843 -19.0843 -18.9248 -18.9248 -18.9175 -18.9175 -18.8901 -18.8901 -18.8830 -18.8830 -4.1968 -4.1968 2.2908 2.2908 3.2529 3.2529 3.7700 3.7700 6.2401 6.2401 8.2841 8.2841 11.2364 11.2364 11.3378 11.3378 k = 0.5662-0.1741 0.4082 ( 4970 PWs) bands (ev): -48.0753 -48.0753 -47.0141 -47.0141 -47.0121 -47.0121 -20.1336 -20.1336 -19.9590 -19.9590 -19.9546 -19.9546 -19.0876 -19.0876 -19.0844 -19.0844 -18.9250 -18.9250 -18.9175 -18.9175 -18.8901 -18.8901 -18.8826 -18.8826 -4.1968 -4.1968 2.2702 2.2702 3.3189 3.3189 3.7587 3.7587 6.1778 6.1778 8.1970 8.1970 11.3383 11.3383 11.4380 11.4380 k = 0.5588-0.1868 0.4082 ( 4972 PWs) bands (ev): -48.0753 -48.0753 -47.0141 -47.0141 -47.0121 -47.0121 -20.1336 -20.1336 -19.9591 -19.9591 -19.9545 -19.9545 -19.0877 -19.0877 -19.0845 -19.0845 -18.9252 -18.9252 -18.9175 -18.9175 -18.8901 -18.8901 -18.8823 -18.8823 -4.1970 -4.1970 2.2517 2.2517 3.3825 3.3825 3.7491 3.7491 6.1173 6.1173 8.1177 8.1177 11.4381 11.4381 11.5376 11.5376 k = 0.5515-0.1995 0.4082 ( 4978 PWs) bands (ev): -48.0753 -48.0753 -47.0141 -47.0141 -47.0121 -47.0121 -20.1336 -20.1336 -19.9592 -19.9592 -19.9545 -19.9545 -19.0878 -19.0878 -19.0845 -19.0845 -18.9255 -18.9255 -18.9175 -18.9175 -18.8901 -18.8901 -18.8820 -18.8820 -4.1972 -4.1972 2.2353 2.2353 3.4425 3.4425 3.7414 3.7414 6.0595 6.0595 8.0470 8.0470 11.5343 11.5343 11.6351 11.6351 k = 0.5441-0.2123 0.4082 ( 4986 PWs) bands (ev): -48.0754 -48.0754 -47.0142 -47.0142 -47.0120 -47.0120 -20.1337 -20.1337 -19.9592 -19.9592 -19.9544 -19.9544 -19.0879 -19.0879 -19.0846 -19.0846 -18.9258 -18.9258 -18.9175 -18.9175 -18.8901 -18.8901 -18.8817 -18.8817 -4.1975 -4.1975 2.2210 2.2210 3.4972 3.4972 3.7361 3.7361 6.0053 6.0053 7.9853 7.9853 11.6251 11.6251 11.7289 11.7289 k = 0.5368-0.2250 0.4082 ( 4994 PWs) bands (ev): -48.0754 -48.0754 -47.0142 -47.0142 -47.0120 -47.0120 -20.1337 -20.1337 -19.9593 -19.9593 -19.9544 -19.9544 -19.0880 -19.0880 -19.0846 -19.0846 -18.9259 -18.9259 -18.9175 -18.9175 -18.8901 -18.8901 -18.8815 -18.8815 -4.1978 -4.1978 2.2089 2.2089 3.5448 3.5448 3.7337 3.7337 5.9561 5.9561 7.9327 7.9327 11.7085 11.7085 11.8168 11.8168 k = 0.5294-0.2377 0.4082 ( 4990 PWs) bands (ev): -48.0754 -48.0754 -47.0142 -47.0142 -47.0120 -47.0120 -20.1337 -20.1337 -19.9593 -19.9593 -19.9544 -19.9544 -19.0879 -19.0879 -19.0847 -19.0847 -18.9260 -18.9260 -18.9175 -18.9175 -18.8901 -18.8901 -18.8814 -18.8814 -4.1980 -4.1980 2.1990 2.1990 3.5833 3.5833 3.7349 3.7349 5.9130 5.9130 7.8896 7.8896 11.7819 11.7819 11.8964 11.8964 k = 0.5221-0.2505 0.4082 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0120 -47.0120 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0880 -19.0880 -19.0847 -19.0847 -18.9261 -18.9261 -18.9175 -18.9175 -18.8901 -18.8901 -18.8812 -18.8812 -4.1983 -4.1983 2.1913 2.1913 3.6109 3.6109 3.7400 3.7400 5.8776 5.8776 7.8560 7.8560 11.8426 11.8426 11.9643 11.9643 k = 0.5147-0.2632 0.4082 ( 4988 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0119 -47.0119 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0880 -19.0880 -19.0847 -19.0847 -18.9261 -18.9261 -18.9175 -18.9175 -18.8901 -18.8901 -18.8811 -18.8811 -4.1984 -4.1984 2.1858 2.1858 3.6280 3.6280 3.7475 3.7475 5.8512 5.8512 7.8319 7.8319 11.8882 11.8882 12.0168 12.0168 k = 0.5074-0.2759 0.4082 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0119 -47.0119 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0880 -19.0880 -19.0847 -19.0847 -18.9262 -18.9262 -18.9175 -18.9175 -18.8901 -18.8901 -18.8810 -18.8810 -4.1986 -4.1986 2.1825 2.1825 3.6367 3.6367 3.7541 3.7541 5.8348 5.8348 7.8175 7.8175 11.9164 11.9164 12.0502 12.0502 k = 0.5000-0.2887 0.4082 ( 4992 PWs) bands (ev): -48.0754 -48.0754 -47.0143 -47.0143 -47.0119 -47.0119 -20.1337 -20.1337 -19.9594 -19.9594 -19.9543 -19.9543 -19.0881 -19.0881 -19.0847 -19.0847 -18.9262 -18.9262 -18.9175 -18.9175 -18.8901 -18.8901 -18.8810 -18.8810 -4.1986 -4.1986 2.1814 2.1814 3.6392 3.6392 3.7566 3.7566 5.8293 5.8293 7.8127 7.8127 11.9260 11.9260 12.0617 12.0617 Writing output data file Na3As.save init_run : 0.09s CPU 0.18s WALL ( 1 calls) electrons : 73.44s CPU 74.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 73.44s CPU 74.66s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 310 calls) cegterg : 65.71s CPU 66.48s WALL ( 310 calls) Called by sum_band: Called by *egterg: h_psi : 42.21s CPU 43.14s WALL ( 4424 calls) s_psi : 0.66s CPU 0.66s WALL ( 4424 calls) g_psi : 0.08s CPU 0.12s WALL ( 3804 calls) cdiaghg : 22.63s CPU 22.53s WALL ( 4114 calls) cegterg:over : 2.35s CPU 2.32s WALL ( 3804 calls) cegterg:upda : 2.17s CPU 2.21s WALL ( 3804 calls) cegterg:last : 0.88s CPU 0.92s WALL ( 620 calls) cdiaghg:chol : 1.18s CPU 1.24s WALL ( 4114 calls) cdiaghg:inve : 0.72s CPU 0.73s WALL ( 4114 calls) cdiaghg:para : 1.08s CPU 1.26s WALL ( 8228 calls) Called by h_psi: h_psi:vloc : 40.08s CPU 41.02s WALL ( 4424 calls) h_psi:vnl : 1.97s CPU 2.00s WALL ( 4424 calls) add_vuspsi : 0.82s CPU 0.79s WALL ( 4424 calls) General routines calbec : 1.12s CPU 1.20s WALL ( 4424 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 37.96s CPU 38.60s WALL ( 365252 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.19s WALL ( 620 calls) Parallel routines fft_scatter : 13.68s CPU 13.88s WALL ( 365275 calls) PWSCF : 1m25.92s CPU 1m36.35s WALL This run was terminated on: 13:18:49 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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