Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:20:30 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: ./LiMg2Tl.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 66 18 2119 2119 308 Max 67 67 19 2122 2122 313 Sum 2383 2383 661 76321 76321 11113 bravais-lattice index = 14 lattice parameter (alat) = 9.1359 a.u. unit-cell volume = 539.1794 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.135860 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 Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Tl 13.00 204.38330 Tl( 1.00) Li 3.00 6.94100 Li( 1.00) Mg 10.00 24.30500 Mg( 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 0.3586956), 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 0.1413043 0.6413044), 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 0.3308824 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 0.1683674 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 0.5818965), 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 0.2954546 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 0.4015152 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 0.7068965), 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 0.0441176 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: 76321 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 540, 44) NL pseudopotentials 0.31 Mb ( 270, 76) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2120) G-vector shells 0.00 Mb ( 521) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.45 Mb ( 540, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.10 Mb ( 76, 2, 44) Check: negative/imaginary core charge= -0.000013 0.000000 The potential is recalculated from file : ./LiMg2Tl.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.6 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.3 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.4 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 13.0 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 secs Computing kpt #: 22 total cpu time spent up to now is 14.1 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 16.1 secs Computing kpt #: 26 total cpu time spent up to now is 16.7 secs Computing kpt #: 27 total cpu time spent up to now is 17.3 secs Computing kpt #: 28 total cpu time spent up to now is 18.0 secs Computing kpt #: 29 total cpu time spent up to now is 18.6 secs Computing kpt #: 30 total cpu time spent up to now is 19.3 secs Computing kpt #: 31 total cpu time spent up to now is 19.9 secs Computing kpt #: 32 total cpu time spent up to now is 20.5 secs Computing kpt #: 33 total cpu time spent up to now is 21.1 secs Computing kpt #: 34 total cpu time spent up to now is 21.6 secs Computing kpt #: 35 total cpu time spent up to now is 22.3 secs Computing kpt #: 36 total cpu time spent up to now is 22.8 secs Computing kpt #: 37 total cpu time spent up to now is 23.4 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.5 secs Computing kpt #: 40 total cpu time spent up to now is 25.0 secs Computing kpt #: 41 total cpu time spent up to now is 25.5 secs Computing kpt #: 42 total cpu time spent up to now is 26.1 secs Computing kpt #: 43 total cpu time spent up to now is 26.6 secs Computing kpt #: 44 total cpu time spent up to now is 27.1 secs Computing kpt #: 45 total cpu time spent up to now is 27.6 secs Computing kpt #: 46 total cpu time spent up to now is 28.1 secs Computing kpt #: 47 total cpu time spent up to now is 28.6 secs Computing kpt #: 48 total cpu time spent up to now is 29.1 secs Computing kpt #: 49 total cpu time spent up to now is 29.6 secs Computing kpt #: 50 total cpu time spent up to now is 30.1 secs Computing kpt #: 51 total cpu time spent up to now is 30.6 secs Computing kpt #: 52 total cpu time spent up to now is 31.1 secs Computing kpt #: 53 total cpu time spent up to now is 31.6 secs Computing kpt #: 54 total cpu time spent up to now is 32.2 secs Computing kpt #: 55 total cpu time spent up to now is 32.8 secs Computing kpt #: 56 total cpu time spent up to now is 33.5 secs Computing kpt #: 57 total cpu time spent up to now is 34.1 secs Computing kpt #: 58 total cpu time spent up to now is 34.7 secs Computing kpt #: 59 total cpu time spent up to now is 35.2 secs Computing kpt #: 60 total cpu time spent up to now is 35.7 secs Computing kpt #: 61 total cpu time spent up to now is 36.2 secs Computing kpt #: 62 total cpu time spent up to now is 36.7 secs Computing kpt #: 63 total cpu time spent up to now is 37.2 secs Computing kpt #: 64 total cpu time spent up to now is 37.6 secs Computing kpt #: 65 total cpu time spent up to now is 38.1 secs Computing kpt #: 66 total cpu time spent up to now is 38.5 secs Computing kpt #: 67 total cpu time spent up to now is 39.0 secs Computing kpt #: 68 total cpu time spent up to now is 39.4 secs Computing kpt #: 69 total cpu time spent up to now is 39.9 secs Computing kpt #: 70 total cpu time spent up to now is 40.3 secs Computing kpt #: 71 total cpu time spent up to now is 40.7 secs Computing kpt #: 72 total cpu time spent up to now is 41.2 secs Computing kpt #: 73 total cpu time spent up to now is 41.6 secs Computing kpt #: 74 total cpu time spent up to now is 42.1 secs Computing kpt #: 75 total cpu time spent up to now is 42.5 secs Computing kpt #: 76 total cpu time spent up to now is 43.0 secs Computing kpt #: 77 total cpu time spent up to now is 43.4 secs Computing kpt #: 78 total cpu time spent up to now is 43.9 secs Computing kpt #: 79 total cpu time spent up to now is 44.3 secs Computing kpt #: 80 total cpu time spent up to now is 44.8 secs Computing kpt #: 81 total cpu time spent up to now is 45.3 secs Computing kpt #: 82 total cpu time spent up to now is 45.8 secs Computing kpt #: 83 total cpu time spent up to now is 46.3 secs Computing kpt #: 84 total cpu time spent up to now is 46.8 secs Computing kpt #: 85 total cpu time spent up to now is 47.3 secs Computing kpt #: 86 total cpu time spent up to now is 47.9 secs Computing kpt #: 87 total cpu time spent up to now is 48.4 secs Computing kpt #: 88 total cpu time spent up to now is 49.0 secs Computing kpt #: 89 total cpu time spent up to now is 49.5 secs Computing kpt #: 90 total cpu time spent up to now is 50.1 secs Computing kpt #: 91 total cpu time spent up to now is 50.8 secs Computing kpt #: 92 total cpu time spent up to now is 51.4 secs Computing kpt #: 93 total cpu time spent up to now is 52.1 secs Computing kpt #: 94 total cpu time spent up to now is 52.6 secs Computing kpt #: 95 total cpu time spent up to now is 53.2 secs Computing kpt #: 96 total cpu time spent up to now is 53.8 secs Computing kpt #: 97 total cpu time spent up to now is 54.3 secs Computing kpt #: 98 total cpu time spent up to now is 54.9 secs Computing kpt #: 99 total cpu time spent up to now is 55.5 secs Computing kpt #: 100 total cpu time spent up to now is 56.0 secs Computing kpt #: 101 total cpu time spent up to now is 56.6 secs Computing kpt #: 102 total cpu time spent up to now is 57.1 secs Computing kpt #: 103 total cpu time spent up to now is 57.7 secs Computing kpt #: 104 total cpu time spent up to now is 58.2 secs Computing kpt #: 105 total cpu time spent up to now is 58.8 secs Computing kpt #: 106 total cpu time spent up to now is 59.3 secs Computing kpt #: 107 total cpu time spent up to now is 59.9 secs Computing kpt #: 108 total cpu time spent up to now is 60.5 secs Computing kpt #: 109 total cpu time spent up to now is 61.0 secs Computing kpt #: 110 total cpu time spent up to now is 61.5 secs Computing kpt #: 111 total cpu time spent up to now is 62.1 secs Computing kpt #: 112 total cpu time spent up to now is 62.6 secs Computing kpt #: 113 total cpu time spent up to now is 63.2 secs Computing kpt #: 114 total cpu time spent up to now is 63.7 secs Computing kpt #: 115 total cpu time spent up to now is 64.3 secs Computing kpt #: 116 total cpu time spent up to now is 64.8 secs Computing kpt #: 117 total cpu time spent up to now is 65.4 secs Computing kpt #: 118 total cpu time spent up to now is 65.9 secs Computing kpt #: 119 total cpu time spent up to now is 66.5 secs Computing kpt #: 120 total cpu time spent up to now is 67.0 secs Computing kpt #: 121 total cpu time spent up to now is 67.6 secs Computing kpt #: 122 total cpu time spent up to now is 68.1 secs Computing kpt #: 123 total cpu time spent up to now is 68.7 secs Computing kpt #: 124 total cpu time spent up to now is 69.2 secs Computing kpt #: 125 total cpu time spent up to now is 69.8 secs Computing kpt #: 126 total cpu time spent up to now is 70.4 secs Computing kpt #: 127 total cpu time spent up to now is 70.9 secs Computing kpt #: 128 total cpu time spent up to now is 71.5 secs Computing kpt #: 129 total cpu time spent up to now is 72.0 secs Computing kpt #: 130 total cpu time spent up to now is 72.6 secs Computing kpt #: 131 total cpu time spent up to now is 73.2 secs Computing kpt #: 132 total cpu time spent up to now is 73.7 secs Computing kpt #: 133 total cpu time spent up to now is 74.3 secs Computing kpt #: 134 total cpu time spent up to now is 74.9 secs Computing kpt #: 135 total cpu time spent up to now is 75.4 secs Computing kpt #: 136 total cpu time spent up to now is 76.0 secs Computing kpt #: 137 total cpu time spent up to now is 76.6 secs Computing kpt #: 138 total cpu time spent up to now is 77.1 secs Computing kpt #: 139 total cpu time spent up to now is 77.7 secs Computing kpt #: 140 total cpu time spent up to now is 78.3 secs Computing kpt #: 141 total cpu time spent up to now is 78.8 secs Computing kpt #: 142 total cpu time spent up to now is 79.4 secs Computing kpt #: 143 total cpu time spent up to now is 80.0 secs Computing kpt #: 144 total cpu time spent up to now is 80.5 secs Computing kpt #: 145 total cpu time spent up to now is 81.1 secs Computing kpt #: 146 total cpu time spent up to now is 81.6 secs Computing kpt #: 147 total cpu time spent up to now is 82.2 secs Computing kpt #: 148 total cpu time spent up to now is 82.7 secs Computing kpt #: 149 total cpu time spent up to now is 83.3 secs Computing kpt #: 150 total cpu time spent up to now is 84.1 secs Computing kpt #: 151 total cpu time spent up to now is 84.9 secs Computing kpt #: 152 total cpu time spent up to now is 85.4 secs Computing kpt #: 153 total cpu time spent up to now is 86.0 secs Computing kpt #: 154 total cpu time spent up to now is 86.5 secs Computing kpt #: 155 total cpu time spent up to now is 87.1 secs Computing kpt #: 156 total cpu time spent up to now is 87.6 secs Computing kpt #: 157 total cpu time spent up to now is 88.2 secs Computing kpt #: 158 total cpu time spent up to now is 88.7 secs Computing kpt #: 159 total cpu time spent up to now is 89.2 secs Computing kpt #: 160 total cpu time spent up to now is 89.7 secs Computing kpt #: 161 total cpu time spent up to now is 90.2 secs Computing kpt #: 162 total cpu time spent up to now is 90.8 secs Computing kpt #: 163 total cpu time spent up to now is 91.3 secs Computing kpt #: 164 total cpu time spent up to now is 91.8 secs Computing kpt #: 165 total cpu time spent up to now is 92.3 secs Computing kpt #: 166 total cpu time spent up to now is 92.8 secs Computing kpt #: 167 total cpu time spent up to now is 93.3 secs Computing kpt #: 168 total cpu time spent up to now is 93.7 secs Computing kpt #: 169 total cpu time spent up to now is 94.2 secs Computing kpt #: 170 total cpu time spent up to now is 94.7 secs Computing kpt #: 171 total cpu time spent up to now is 95.2 secs Computing kpt #: 172 total cpu time spent up to now is 95.6 secs Computing kpt #: 173 total cpu time spent up to now is 96.1 secs Computing kpt #: 174 total cpu time spent up to now is 96.6 secs Computing kpt #: 175 total cpu time spent up to now is 97.1 secs Computing kpt #: 176 total cpu time spent up to now is 97.5 secs Computing kpt #: 177 total cpu time spent up to now is 98.0 secs Computing kpt #: 178 total cpu time spent up to now is 98.6 secs Computing kpt #: 179 total cpu time spent up to now is 99.0 secs Computing kpt #: 180 total cpu time spent up to now is 99.5 secs Computing kpt #: 181 total cpu time spent up to now is 100.0 secs Computing kpt #: 182 total cpu time spent up to now is 100.4 secs Computing kpt #: 183 total cpu time spent up to now is 100.9 secs Computing kpt #: 184 total cpu time spent up to now is 101.3 secs Computing kpt #: 185 total cpu time spent up to now is 101.8 secs Computing kpt #: 186 total cpu time spent up to now is 102.3 secs Computing kpt #: 187 total cpu time spent up to now is 102.8 secs Computing kpt #: 188 total cpu time spent up to now is 103.2 secs Computing kpt #: 189 total cpu time spent up to now is 103.7 secs Computing kpt #: 190 total cpu time spent up to now is 104.2 secs Computing kpt #: 191 total cpu time spent up to now is 104.7 secs Computing kpt #: 192 total cpu time spent up to now is 105.2 secs Computing kpt #: 193 total cpu time spent up to now is 105.7 secs Computing kpt #: 194 total cpu time spent up to now is 106.3 secs Computing kpt #: 195 total cpu time spent up to now is 106.8 secs Computing kpt #: 196 total cpu time spent up to now is 107.3 secs Computing kpt #: 197 total cpu time spent up to now is 107.8 secs Computing kpt #: 198 total cpu time spent up to now is 108.3 secs Computing kpt #: 199 total cpu time spent up to now is 108.9 secs Computing kpt #: 200 total cpu time spent up to now is 109.4 secs Computing kpt #: 201 total cpu time spent up to now is 109.9 secs Computing kpt #: 202 total cpu time spent up to now is 110.4 secs Computing kpt #: 203 total cpu time spent up to now is 110.9 secs Computing kpt #: 204 total cpu time spent up to now is 111.4 secs Computing kpt #: 205 total cpu time spent up to now is 112.0 secs Computing kpt #: 206 total cpu time spent up to now is 112.5 secs Computing kpt #: 207 total cpu time spent up to now is 113.0 secs Computing kpt #: 208 total cpu time spent up to now is 113.6 secs Computing kpt #: 209 total cpu time spent up to now is 114.1 secs Computing kpt #: 210 total cpu time spent up to now is 114.7 secs Computing kpt #: 211 total cpu time spent up to now is 115.3 secs Computing kpt #: 212 total cpu time spent up to now is 115.8 secs Computing kpt #: 213 total cpu time spent up to now is 116.4 secs Computing kpt #: 214 total cpu time spent up to now is 116.9 secs Computing kpt #: 215 total cpu time spent up to now is 117.4 secs Computing kpt #: 216 total cpu time spent up to now is 117.9 secs Computing kpt #: 217 total cpu time spent up to now is 118.4 secs Computing kpt #: 218 total cpu time spent up to now is 118.9 secs Computing kpt #: 219 total cpu time spent up to now is 119.4 secs Computing kpt #: 220 total cpu time spent up to now is 119.9 secs Computing kpt #: 221 total cpu time spent up to now is 120.3 secs Computing kpt #: 222 total cpu time spent up to now is 120.8 secs Computing kpt #: 223 total cpu time spent up to now is 121.3 secs Computing kpt #: 224 total cpu time spent up to now is 121.7 secs Computing kpt #: 225 total cpu time spent up to now is 122.1 secs Computing kpt #: 226 total cpu time spent up to now is 122.6 secs Computing kpt #: 227 total cpu time spent up to now is 123.0 secs Computing kpt #: 228 total cpu time spent up to now is 123.4 secs Computing kpt #: 229 total cpu time spent up to now is 123.9 secs Computing kpt #: 230 total cpu time spent up to now is 124.3 secs Computing kpt #: 231 total cpu time spent up to now is 124.7 secs Computing kpt #: 232 total cpu time spent up to now is 125.2 secs Computing kpt #: 233 total cpu time spent up to now is 125.6 secs Computing kpt #: 234 total cpu time spent up to now is 126.1 secs Computing kpt #: 235 total cpu time spent up to now is 126.5 secs Computing kpt #: 236 total cpu time spent up to now is 127.0 secs Computing kpt #: 237 total cpu time spent up to now is 127.5 secs Computing kpt #: 238 total cpu time spent up to now is 128.0 secs Computing kpt #: 239 total cpu time spent up to now is 128.5 secs Computing kpt #: 240 total cpu time spent up to now is 129.0 secs Computing kpt #: 241 total cpu time spent up to now is 129.5 secs Computing kpt #: 242 total cpu time spent up to now is 130.0 secs Computing kpt #: 243 total cpu time spent up to now is 130.5 secs Computing kpt #: 244 total cpu time spent up to now is 131.0 secs Computing kpt #: 245 total cpu time spent up to now is 131.6 secs Computing kpt #: 246 total cpu time spent up to now is 132.1 secs Computing kpt #: 247 total cpu time spent up to now is 132.7 secs Computing kpt #: 248 total cpu time spent up to now is 133.2 secs Computing kpt #: 249 total cpu time spent up to now is 133.7 secs Computing kpt #: 250 total cpu time spent up to now is 134.2 secs Computing kpt #: 251 total cpu time spent up to now is 134.7 secs Computing kpt #: 252 total cpu time spent up to now is 135.2 secs Computing kpt #: 253 total cpu time spent up to now is 135.7 secs Computing kpt #: 254 total cpu time spent up to now is 136.2 secs Computing kpt #: 255 total cpu time spent up to now is 136.7 secs Computing kpt #: 256 total cpu time spent up to now is 137.1 secs Computing kpt #: 257 total cpu time spent up to now is 137.6 secs Computing kpt #: 258 total cpu time spent up to now is 138.1 secs Computing kpt #: 259 total cpu time spent up to now is 138.5 secs Computing kpt #: 260 total cpu time spent up to now is 139.0 secs Computing kpt #: 261 total cpu time spent up to now is 139.5 secs Computing kpt #: 262 total cpu time spent up to now is 139.9 secs Computing kpt #: 263 total cpu time spent up to now is 140.4 secs Computing kpt #: 264 total cpu time spent up to now is 140.8 secs Computing kpt #: 265 total cpu time spent up to now is 141.3 secs Computing kpt #: 266 total cpu time spent up to now is 141.7 secs Computing kpt #: 267 total cpu time spent up to now is 142.2 secs Computing kpt #: 268 total cpu time spent up to now is 142.7 secs Computing kpt #: 269 total cpu time spent up to now is 143.2 secs Computing kpt #: 270 total cpu time spent up to now is 143.6 secs Computing kpt #: 271 total cpu time spent up to now is 144.1 secs Computing kpt #: 272 total cpu time spent up to now is 144.6 secs Computing kpt #: 273 total cpu time spent up to now is 145.1 secs Computing kpt #: 274 total cpu time spent up to now is 145.6 secs Computing kpt #: 275 total cpu time spent up to now is 146.1 secs Computing kpt #: 276 total cpu time spent up to now is 146.7 secs Computing kpt #: 277 total cpu time spent up to now is 147.2 secs Computing kpt #: 278 total cpu time spent up to now is 147.7 secs Computing kpt #: 279 total cpu time spent up to now is 148.2 secs Computing kpt #: 280 total cpu time spent up to now is 148.7 secs Computing kpt #: 281 total cpu time spent up to now is 149.2 secs Computing kpt #: 282 total cpu time spent up to now is 149.8 secs Computing kpt #: 283 total cpu time spent up to now is 150.3 secs Computing kpt #: 284 total cpu time spent up to now is 150.8 secs Computing kpt #: 285 total cpu time spent up to now is 151.3 secs Computing kpt #: 286 total cpu time spent up to now is 151.8 secs Computing kpt #: 287 total cpu time spent up to now is 152.3 secs Computing kpt #: 288 total cpu time spent up to now is 152.9 secs Computing kpt #: 289 total cpu time spent up to now is 153.4 secs Computing kpt #: 290 total cpu time spent up to now is 153.9 secs Computing kpt #: 291 total cpu time spent up to now is 154.5 secs Computing kpt #: 292 total cpu time spent up to now is 155.0 secs Computing kpt #: 293 total cpu time spent up to now is 155.6 secs Computing kpt #: 294 total cpu time spent up to now is 156.1 secs Computing kpt #: 295 total cpu time spent up to now is 156.6 secs Computing kpt #: 296 total cpu time spent up to now is 157.2 secs Computing kpt #: 297 total cpu time spent up to now is 157.7 secs Computing kpt #: 298 total cpu time spent up to now is 158.2 secs Computing kpt #: 299 total cpu time spent up to now is 158.7 secs Computing kpt #: 300 total cpu time spent up to now is 159.3 secs Computing kpt #: 301 total cpu time spent up to now is 159.8 secs Computing kpt #: 302 total cpu time spent up to now is 160.3 secs Computing kpt #: 303 total cpu time spent up to now is 160.8 secs Computing kpt #: 304 total cpu time spent up to now is 161.3 secs Computing kpt #: 305 total cpu time spent up to now is 161.9 secs Computing kpt #: 306 total cpu time spent up to now is 162.4 secs Computing kpt #: 307 total cpu time spent up to now is 162.9 secs Computing kpt #: 308 total cpu time spent up to now is 163.4 secs Computing kpt #: 309 total cpu time spent up to now is 163.9 secs Computing kpt #: 310 total cpu time spent up to now is 164.4 secs ethr = 2.78E-08, avg # of iterations = 16.3 total cpu time spent up to now is 164.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9505 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1768 -35.1768 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9986 -4.9986 -2.9041 -2.9041 -2.8262 -2.8262 -2.8262 -2.8262 -1.0794 -1.0794 7.6478 7.6478 8.7438 8.7438 8.7438 8.7438 9.1888 9.1888 10.2268 10.2268 10.2268 10.2268 10.3282 10.3282 k = 0.0109-0.0063 0.0089 ( 9509 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1768 -35.1768 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9986 -4.9986 -2.9040 -2.9040 -2.8262 -2.8262 -2.8262 -2.8262 -1.0780 -1.0780 7.6398 7.6398 8.7130 8.7130 8.7319 8.7319 9.2200 9.2200 10.2235 10.2235 10.2377 10.2377 10.3354 10.3354 k = 0.0217-0.0126 0.0177 ( 9505 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1767 -35.1767 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9985 -4.9985 -2.9039 -2.9039 -2.8262 -2.8262 -2.8261 -2.8261 -1.0741 -1.0741 7.6160 7.6160 8.6376 8.6376 8.6973 8.6973 9.2966 9.2966 10.2042 10.2042 10.2698 10.2698 10.3662 10.3662 k = 0.0326-0.0188 0.0266 ( 9489 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1767 -35.1767 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9984 -4.9984 -2.9037 -2.9037 -2.8262 -2.8262 -2.8260 -2.8260 -1.0674 -1.0674 7.5776 7.5776 8.5408 8.5408 8.6434 8.6434 9.3956 9.3956 10.1630 10.1630 10.3218 10.3218 10.4264 10.4264 k = 0.0435-0.0251 0.0355 ( 9489 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1767 -35.1767 -35.1705 -35.1705 -35.1704 -35.1704 -4.9985 -4.9985 -4.9983 -4.9983 -2.9035 -2.9035 -2.8262 -2.8262 -2.8259 -2.8259 -1.0582 -1.0582 7.5262 7.5262 8.4342 8.4342 8.5744 8.5744 9.5054 9.5054 10.1054 10.1054 10.3913 10.3913 10.5106 10.5106 k = 0.0543-0.0314 0.0444 ( 9485 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4586 -35.4586 -35.1768 -35.1768 -35.1766 -35.1766 -35.1705 -35.1705 -35.1704 -35.1704 -4.9985 -4.9985 -4.9981 -4.9981 -2.9032 -2.9032 -2.8262 -2.8262 -2.8257 -2.8257 -1.0462 -1.0462 7.4634 7.4634 8.3231 8.3231 8.4941 8.4941 9.6210 9.6210 10.0370 10.0370 10.4757 10.4757 10.6127 10.6127 k = 0.0652-0.0377 0.0532 ( 9501 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4586 -35.4586 -35.1768 -35.1768 -35.1766 -35.1766 -35.1706 -35.1706 -35.1704 -35.1704 -4.9984 -4.9984 -4.9979 -4.9979 -2.9028 -2.9028 -2.8263 -2.8263 -2.8254 -2.8254 -1.0317 -1.0317 7.3911 7.3911 8.2095 8.2095 8.4060 8.4060 9.7396 9.7396 9.9615 9.9615 10.5712 10.5712 10.7287 10.7287 k = 0.0761-0.0439 0.0621 ( 9497 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4587 -35.4587 -35.1768 -35.1768 -35.1765 -35.1765 -35.1707 -35.1707 -35.1704 -35.1704 -4.9983 -4.9983 -4.9976 -4.9976 -2.9023 -2.9023 -2.8263 -2.8263 -2.8252 -2.8252 -1.0145 -1.0145 7.3108 7.3108 8.0949 8.0949 8.3126 8.3126 9.8590 9.8590 9.8816 9.8816 10.6695 10.6695 10.8556 10.8556 k = 0.0870-0.0502 0.0710 ( 9505 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4587 -35.4587 -35.1768 -35.1768 -35.1764 -35.1764 -35.1708 -35.1708 -35.1704 -35.1704 -4.9982 -4.9982 -4.9973 -4.9973 -2.9018 -2.9018 -2.8263 -2.8263 -2.8248 -2.8248 -0.9946 -0.9946 7.2239 7.2239 7.9800 7.9800 8.2158 8.2158 9.7992 9.7992 9.9754 9.9754 10.7224 10.7224 10.9011 10.9011 k = 0.0978-0.0565 0.0799 ( 9517 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4645 -35.4645 -35.4588 -35.4588 -35.1768 -35.1768 -35.1763 -35.1763 -35.1709 -35.1709 -35.1703 -35.1703 -4.9982 -4.9982 -4.9970 -4.9970 -2.9012 -2.9012 -2.8264 -2.8264 -2.8245 -2.8245 -0.9722 -0.9722 7.1315 7.1315 7.8654 7.8654 8.1171 8.1171 9.7155 9.7155 10.0793 10.0793 10.6500 10.6500 10.9748 10.9748 k = 0.1087-0.0628 0.0887 ( 9517 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4645 -35.4645 -35.4588 -35.4588 -35.1768 -35.1768 -35.1762 -35.1762 -35.1710 -35.1710 -35.1703 -35.1703 -4.9980 -4.9980 -4.9966 -4.9966 -2.9006 -2.9006 -2.8264 -2.8264 -2.8241 -2.8241 -0.9471 -0.9471 7.0343 7.0343 7.7514 7.7514 8.0177 8.0177 9.6314 9.6314 10.1441 10.1441 10.5756 10.5756 11.0984 11.0984 k = 0.1196-0.0690 0.0976 ( 9533 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4644 -35.4644 -35.4588 -35.4588 -35.1769 -35.1769 -35.1761 -35.1761 -35.1711 -35.1711 -35.1703 -35.1703 -4.9979 -4.9979 -4.9962 -4.9962 -2.9000 -2.9000 -2.8264 -2.8264 -2.8236 -2.8236 -0.9195 -0.9195 6.9330 6.9330 7.6386 7.6386 7.9181 7.9181 9.5476 9.5476 10.1242 10.1242 10.5826 10.5826 11.2340 11.2340 k = 0.1304-0.0753 0.1065 ( 9541 PWs) bands (ev): -68.5082 -68.5082 -68.5073 -68.5073 -39.0684 -39.0684 -35.4644 -35.4644 -35.4589 -35.4589 -35.1769 -35.1769 -35.1760 -35.1760 -35.1712 -35.1712 -35.1703 -35.1703 -4.9978 -4.9978 -4.9957 -4.9957 -2.8993 -2.8993 -2.8265 -2.8265 -2.8230 -2.8230 -0.8893 -0.8893 6.8281 6.8281 7.5272 7.5272 7.8192 7.8192 9.4647 9.4647 10.0296 10.0296 10.6669 10.6669 11.3747 11.3747 k = 0.1413-0.0816 0.1154 ( 9525 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4643 -35.4643 -35.4590 -35.4590 -35.1769 -35.1769 -35.1759 -35.1759 -35.1713 -35.1713 -35.1703 -35.1703 -4.9977 -4.9977 -4.9953 -4.9953 -2.8986 -2.8986 -2.8265 -2.8265 -2.8224 -2.8224 -0.8565 -0.8565 6.7198 6.7198 7.4176 7.4176 7.7212 7.7212 9.3829 9.3829 9.9056 9.9056 10.7847 10.7847 11.5170 11.5170 k = 0.1522-0.0879 0.1242 ( 9533 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4643 -35.4643 -35.4590 -35.4590 -35.1769 -35.1769 -35.1757 -35.1757 -35.1715 -35.1715 -35.1703 -35.1703 -4.9975 -4.9975 -4.9948 -4.9948 -2.8979 -2.8979 -2.8266 -2.8266 -2.8218 -2.8218 -0.8211 -0.8211 6.6083 6.6083 7.3101 7.3101 7.6247 7.6247 9.3026 9.3026 9.7732 9.7732 10.9153 10.9153 11.6573 11.6573 k = 0.1630-0.0941 0.1331 ( 9521 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4642 -35.4642 -35.4591 -35.4591 -35.1769 -35.1769 -35.1756 -35.1756 -35.1716 -35.1716 -35.1703 -35.1703 -4.9974 -4.9974 -4.9942 -4.9942 -2.8971 -2.8971 -2.8266 -2.8266 -2.8211 -2.8211 -0.7832 -0.7832 6.4938 6.4938 7.2050 7.2050 7.5298 7.5298 9.2239 9.2239 9.6400 9.6400 11.0514 11.0514 11.7915 11.7915 k = 0.1739-0.1004 0.1420 ( 9521 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4642 -35.4642 -35.4591 -35.4591 -35.1769 -35.1769 -35.1755 -35.1755 -35.1717 -35.1717 -35.1702 -35.1702 -4.9973 -4.9973 -4.9937 -4.9937 -2.8964 -2.8964 -2.8267 -2.8267 -2.8203 -2.8203 -0.7429 -0.7429 6.3764 6.3764 7.1026 7.1026 7.4368 7.4368 9.1472 9.1472 9.5089 9.5089 11.1892 11.1892 11.9159 11.9159 k = 0.1848-0.1067 0.1509 ( 9513 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4641 -35.4641 -35.4592 -35.4592 -35.1770 -35.1770 -35.1753 -35.1753 -35.1719 -35.1719 -35.1702 -35.1702 -4.9971 -4.9971 -4.9931 -4.9931 -2.8956 -2.8956 -2.8267 -2.8267 -2.8194 -2.8194 -0.7000 -0.7000 6.2563 6.2563 7.0031 7.0031 7.3460 7.3460 9.0724 9.0724 9.3815 9.3815 11.3263 11.3263 12.0309 12.0309 k = 0.1957-0.1130 0.1597 ( 9513 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4640 -35.4640 -35.4593 -35.4593 -35.1770 -35.1770 -35.1752 -35.1752 -35.1720 -35.1720 -35.1702 -35.1702 -4.9969 -4.9969 -4.9925 -4.9925 -2.8949 -2.8949 -2.8268 -2.8268 -2.8185 -2.8185 -0.6547 -0.6547 6.1334 6.1334 6.9066 6.9066 7.2574 7.2574 8.9997 8.9997 9.2585 9.2585 11.4608 11.4608 12.1410 12.1410 k = 0.2065-0.1192 0.1686 ( 9521 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4640 -35.4640 -35.4593 -35.4593 -35.1770 -35.1770 -35.1750 -35.1750 -35.1722 -35.1722 -35.1702 -35.1702 -4.9968 -4.9968 -4.9919 -4.9919 -2.8942 -2.8942 -2.8269 -2.8269 -2.8176 -2.8176 -0.6070 -0.6070 6.0081 6.0081 6.8134 6.8134 7.1711 7.1711 8.9292 8.9292 9.1404 9.1404 11.5908 11.5908 12.2523 12.2523 k = 0.2174-0.1255 0.1775 ( 9521 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4639 -35.4639 -35.4594 -35.4594 -35.1770 -35.1770 -35.1748 -35.1748 -35.1724 -35.1724 -35.1702 -35.1702 -4.9966 -4.9966 -4.9913 -4.9913 -2.8935 -2.8935 -2.8269 -2.8269 -2.8165 -2.8165 -0.5570 -0.5570 5.8805 5.8805 6.7236 6.7236 7.0874 7.0874 8.8610 8.8610 9.0274 9.0274 11.7146 11.7146 12.3697 12.3697 k = 0.2283-0.1318 0.1864 ( 9521 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4638 -35.4638 -35.4595 -35.4595 -35.1771 -35.1771 -35.1747 -35.1747 -35.1725 -35.1725 -35.1701 -35.1701 -4.9965 -4.9965 -4.9907 -4.9907 -2.8928 -2.8928 -2.8270 -2.8270 -2.8154 -2.8154 -0.5046 -0.5046 5.7509 5.7509 6.6371 6.6371 7.0062 7.0062 8.7951 8.7951 8.9198 8.9198 11.8312 11.8312 12.4960 12.4960 k = 0.2391-0.1381 0.1952 ( 9513 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4638 -35.4638 -35.4596 -35.4596 -35.1771 -35.1771 -35.1745 -35.1745 -35.1727 -35.1727 -35.1701 -35.1701 -4.9963 -4.9963 -4.9901 -4.9901 -2.8921 -2.8921 -2.8270 -2.8270 -2.8143 -2.8143 -0.4500 -0.4500 5.6195 5.6195 6.5541 6.5541 6.9278 6.9278 8.7316 8.7316 8.8176 8.8176 11.9406 11.9406 12.6174 12.6174 k = 0.2500-0.1443 0.2041 ( 9493 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4637 -35.4637 -35.4596 -35.4596 -35.1771 -35.1771 -35.1743 -35.1743 -35.1729 -35.1729 -35.1701 -35.1701 -4.9961 -4.9961 -4.9894 -4.9894 -2.8915 -2.8915 -2.8270 -2.8270 -2.8131 -2.8131 -0.3932 -0.3932 5.4867 5.4867 6.4746 6.4746 6.8521 6.8521 8.6705 8.6705 8.7207 8.7207 12.0434 12.0434 12.6852 12.6852 k = 0.2609-0.1506 0.2130 ( 9493 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4636 -35.4636 -35.4597 -35.4597 -35.1771 -35.1771 -35.1742 -35.1742 -35.1730 -35.1730 -35.1701 -35.1701 -4.9960 -4.9960 -4.9888 -4.9888 -2.8909 -2.8909 -2.8271 -2.8271 -2.8119 -2.8119 -0.3343 -0.3343 5.3528 5.3528 6.3985 6.3985 6.7792 6.7792 8.6119 8.6119 8.6291 8.6291 12.1408 12.1408 12.7555 12.7555 k = 0.2717-0.1569 0.2219 ( 9497 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4636 -35.4636 -35.4598 -35.4598 -35.1771 -35.1771 -35.1740 -35.1740 -35.1732 -35.1732 -35.1701 -35.1701 -4.9958 -4.9958 -4.9882 -4.9882 -2.8904 -2.8904 -2.8271 -2.8271 -2.8106 -2.8106 -0.2734 -0.2734 5.2182 5.2182 6.3259 6.3259 6.7092 6.7092 8.5428 8.5428 8.5557 8.5557 12.2340 12.2340 12.8284 12.8284 k = 0.2826-0.1632 0.2307 ( 9501 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4635 -35.4635 -35.4599 -35.4599 -35.1772 -35.1772 -35.1738 -35.1738 -35.1734 -35.1734 -35.1700 -35.1700 -4.9956 -4.9956 -4.9875 -4.9875 -2.8899 -2.8899 -2.8271 -2.8271 -2.8093 -2.8093 -0.2106 -0.2106 5.0832 5.0832 6.2568 6.2568 6.6421 6.6421 8.4616 8.4616 8.5021 8.5021 12.3242 12.3242 12.9036 12.9036 k = 0.2935-0.1694 0.2396 ( 9505 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4634 -35.4634 -35.4599 -35.4599 -35.1772 -35.1772 -35.1737 -35.1737 -35.1735 -35.1735 -35.1700 -35.1700 -4.9955 -4.9955 -4.9869 -4.9869 -2.8894 -2.8894 -2.8272 -2.8272 -2.8080 -2.8080 -0.1459 -0.1459 4.9483 4.9483 6.1910 6.1910 6.5780 6.5780 8.3853 8.3853 8.4509 8.4509 12.4124 12.4124 12.9812 12.9812 k = 0.3043-0.1757 0.2485 ( 9505 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4634 -35.4634 -35.4600 -35.4600 -35.1772 -35.1772 -35.1737 -35.1737 -35.1735 -35.1735 -35.1700 -35.1700 -4.9953 -4.9953 -4.9863 -4.9863 -2.8890 -2.8890 -2.8272 -2.8272 -2.8066 -2.8066 -0.0796 -0.0796 4.8139 4.8139 6.1287 6.1287 6.5169 6.5169 8.3140 8.3140 8.4024 8.4024 12.4992 12.4992 13.0609 13.0609 k = 0.3152-0.1820 0.2574 ( 9493 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4633 -35.4633 -35.4601 -35.4601 -35.1772 -35.1772 -35.1739 -35.1739 -35.1734 -35.1734 -35.1700 -35.1700 -4.9952 -4.9952 -4.9857 -4.9857 -2.8886 -2.8886 -2.8272 -2.8272 -2.8053 -2.8053 -0.0118 -0.0118 4.6803 4.6803 6.0698 6.0698 6.4590 6.4590 8.2473 8.2473 8.3564 8.3564 12.5852 12.5852 13.1427 13.1427 k = 0.3261-0.1883 0.2662 ( 9481 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4632 -35.4632 -35.4601 -35.4601 -35.1773 -35.1773 -35.1740 -35.1740 -35.1732 -35.1732 -35.1700 -35.1700 -4.9950 -4.9950 -4.9851 -4.9851 -2.8882 -2.8882 -2.8272 -2.8272 -2.8039 -2.8039 0.0573 0.0573 4.5480 4.5480 6.0143 6.0143 6.4041 6.4041 8.1853 8.1853 8.3129 8.3129 12.6706 12.6706 13.2264 13.2264 k = 0.3370-0.1945 0.2751 ( 9493 PWs) bands (ev): -68.5080 -68.5080 -68.5075 -68.5075 -39.0684 -39.0684 -35.4632 -35.4632 -35.4602 -35.4602 -35.1773 -35.1773 -35.1742 -35.1742 -35.1731 -35.1731 -35.1700 -35.1700 -4.9949 -4.9949 -4.9846 -4.9846 -2.8879 -2.8879 -2.8272 -2.8272 -2.8026 -2.8026 0.1275 0.1275 4.4174 4.4174 5.9621 5.9621 6.3524 6.3524 8.1277 8.1277 8.2721 8.2721 12.7556 12.7556 13.3118 13.3118 k = 0.3478-0.2008 0.2840 ( 9489 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4631 -35.4631 -35.4603 -35.4603 -35.1773 -35.1773 -35.1743 -35.1743 -35.1729 -35.1729 -35.1699 -35.1699 -4.9948 -4.9948 -4.9840 -4.9840 -2.8876 -2.8876 -2.8272 -2.8272 -2.8013 -2.8013 0.1985 0.1985 4.2890 4.2890 5.9133 5.9133 6.3038 6.3038 8.0745 8.0745 8.2339 8.2339 12.8401 12.8401 13.3986 13.3986 k = 0.3587-0.2071 0.2929 ( 9497 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4631 -35.4631 -35.4603 -35.4603 -35.1773 -35.1773 -35.1744 -35.1744 -35.1728 -35.1728 -35.1699 -35.1699 -4.9946 -4.9946 -4.9835 -4.9835 -2.8873 -2.8873 -2.8272 -2.8272 -2.8001 -2.8001 0.2700 0.2700 4.1634 4.1634 5.8678 5.8678 6.2585 6.2585 8.0254 8.0254 8.1982 8.1982 12.9239 12.9239 13.4866 13.4866 k = 0.3696-0.2134 0.3017 ( 9493 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4630 -35.4630 -35.4604 -35.4604 -35.1773 -35.1773 -35.1746 -35.1746 -35.1727 -35.1727 -35.1699 -35.1699 -4.9945 -4.9945 -4.9831 -4.9831 -2.8871 -2.8871 -2.8272 -2.8272 -2.7989 -2.7989 0.3416 0.3416 4.0410 4.0410 5.8257 5.8257 6.2164 6.2164 7.9805 7.9805 8.1652 8.1652 13.0069 13.0069 13.5755 13.5755 k = 0.3804-0.2196 0.3106 ( 9501 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4630 -35.4630 -35.4604 -35.4604 -35.1773 -35.1773 -35.1747 -35.1747 -35.1725 -35.1725 -35.1699 -35.1699 -4.9944 -4.9944 -4.9826 -4.9826 -2.8869 -2.8869 -2.8272 -2.8272 -2.7977 -2.7977 0.4129 0.4129 3.9225 3.9225 5.7870 5.7870 6.1776 6.1776 7.9395 7.9395 8.1348 8.1348 13.0887 13.0887 13.6648 13.6648 k = 0.3913-0.2259 0.3195 ( 9505 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4629 -35.4629 -35.4605 -35.4605 -35.1774 -35.1774 -35.1748 -35.1748 -35.1724 -35.1724 -35.1699 -35.1699 -4.9943 -4.9943 -4.9822 -4.9822 -2.8867 -2.8867 -2.8272 -2.8272 -2.7966 -2.7966 0.4832 0.4832 3.8086 3.8086 5.7516 5.7516 6.1421 6.1421 7.9025 7.9025 8.1071 8.1071 13.1687 13.1687 13.7539 13.7539 k = 0.4022-0.2322 0.3284 ( 9505 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4629 -35.4629 -35.4605 -35.4605 -35.1774 -35.1774 -35.1749 -35.1749 -35.1723 -35.1723 -35.1699 -35.1699 -4.9942 -4.9942 -4.9818 -4.9818 -2.8865 -2.8865 -2.8272 -2.8272 -2.7956 -2.7956 0.5520 0.5520 3.7000 3.7000 5.7195 5.7195 6.1099 6.1099 7.8692 7.8692 8.0819 8.0819 13.2463 13.2463 13.8423 13.8423 k = 0.4130-0.2385 0.3372 ( 9505 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4629 -35.4629 -35.4606 -35.4606 -35.1774 -35.1774 -35.1750 -35.1750 -35.1722 -35.1722 -35.1699 -35.1699 -4.9941 -4.9941 -4.9814 -4.9814 -2.8864 -2.8864 -2.8272 -2.8272 -2.7947 -2.7947 0.6185 0.6185 3.5977 3.5977 5.6909 5.6909 6.0810 6.0810 7.8396 7.8396 8.0594 8.0594 13.3207 13.3207 13.9290 13.9290 k = 0.4239-0.2447 0.3461 ( 9521 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4628 -35.4628 -35.4606 -35.4606 -35.1774 -35.1774 -35.1751 -35.1751 -35.1722 -35.1722 -35.1699 -35.1699 -4.9941 -4.9941 -4.9811 -4.9811 -2.8863 -2.8863 -2.8271 -2.8271 -2.7939 -2.7939 0.6816 0.6816 3.5027 3.5027 5.6656 5.6656 6.0555 6.0555 7.8137 7.8137 8.0396 8.0396 13.3911 13.3911 14.0129 14.0129 k = 0.4348-0.2510 0.3550 ( 9512 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4628 -35.4628 -35.4606 -35.4606 -35.1774 -35.1774 -35.1751 -35.1751 -35.1721 -35.1721 -35.1698 -35.1698 -4.9940 -4.9940 -4.9808 -4.9808 -2.8862 -2.8862 -2.8271 -2.8271 -2.7931 -2.7931 0.7404 0.7404 3.4161 3.4161 5.6436 5.6436 6.0334 6.0334 7.7914 7.7914 8.0224 8.0224 13.4562 13.4562 14.0927 14.0927 k = 0.4457-0.2573 0.3639 ( 9500 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4628 -35.4628 -35.4607 -35.4607 -35.1774 -35.1774 -35.1752 -35.1752 -35.1720 -35.1720 -35.1698 -35.1698 -4.9939 -4.9939 -4.9806 -4.9806 -2.8861 -2.8861 -2.8271 -2.8271 -2.7925 -2.7925 0.7936 0.7936 3.3393 3.3393 5.6250 5.6250 6.0146 6.0146 7.7726 7.7726 8.0078 8.0078 13.5148 13.5148 14.1667 14.1667 k = 0.4565-0.2636 0.3727 ( 9504 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4628 -35.4628 -35.4607 -35.4607 -35.1774 -35.1774 -35.1752 -35.1752 -35.1720 -35.1720 -35.1698 -35.1698 -4.9939 -4.9939 -4.9804 -4.9804 -2.8860 -2.8860 -2.8271 -2.8271 -2.7920 -2.7920 0.8399 0.8399 3.2736 3.2736 5.6098 5.6098 5.9993 5.9993 7.7573 7.7573 7.9959 7.9959 13.5655 13.5655 14.2326 14.2326 k = 0.4674-0.2698 0.3816 ( 9512 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9803 -4.9803 -2.8860 -2.8860 -2.8271 -2.8271 -2.7915 -2.7915 0.8778 0.8778 3.2206 3.2206 5.5980 5.5980 5.9873 5.9873 7.7454 7.7454 7.9866 7.9866 13.6069 13.6069 14.2881 14.2881 k = 0.4783-0.2761 0.3905 ( 9520 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9802 -4.9802 -2.8860 -2.8860 -2.8271 -2.8271 -2.7912 -2.7912 0.9060 0.9060 3.1815 3.1815 5.5895 5.5895 5.9787 5.9787 7.7369 7.7369 7.9800 7.9800 13.6377 13.6377 14.3303 14.3303 k = 0.4891-0.2824 0.3994 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9801 -4.9801 -2.8859 -2.8859 -2.8271 -2.8271 -2.7911 -2.7911 0.9235 0.9235 3.1575 3.1575 5.5845 5.5845 5.9736 5.9736 7.7319 7.7319 7.9760 7.9760 13.6567 13.6567 14.3569 14.3569 k = 0.5000-0.2887 0.4082 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9801 -4.9801 -2.8859 -2.8859 -2.8271 -2.8271 -2.7910 -2.7910 0.9294 0.9294 3.1494 3.1494 5.5828 5.5828 5.9719 5.9719 7.7302 7.7302 7.9747 7.9747 13.6631 13.6631 14.3660 14.3660 k = 0.5000-0.2887 0.4082 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9801 -4.9801 -2.8859 -2.8859 -2.8271 -2.8271 -2.7910 -2.7910 0.9294 0.9294 3.1494 3.1494 5.5828 5.5828 5.9719 5.9719 7.7302 7.7302 7.9747 7.9747 13.6631 13.6631 14.3660 14.3660 k = 0.5000-0.2761 0.4171 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9801 -4.9801 -2.8859 -2.8859 -2.8271 -2.8271 -2.7911 -2.7911 0.9295 0.9295 3.1511 3.1511 5.5776 5.5776 5.9652 5.9652 7.7375 7.7375 7.9856 7.9856 13.6563 13.6563 14.3576 14.3576 k = 0.5000-0.2636 0.4260 ( 9532 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9801 -4.9801 -2.8858 -2.8858 -2.8270 -2.8270 -2.7913 -2.7913 0.9296 0.9296 3.1563 3.1563 5.5622 5.5622 5.9457 5.9457 7.7592 7.7592 8.0178 8.0178 13.6349 13.6349 14.3342 14.3342 k = 0.5000-0.2510 0.4349 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4608 -35.4608 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1699 -35.1699 -4.9937 -4.9937 -4.9802 -4.9802 -2.8856 -2.8856 -2.8270 -2.8270 -2.7916 -2.7916 0.9299 0.9299 3.1648 3.1648 5.5367 5.5367 5.9152 5.9152 7.7946 7.7946 8.0700 8.0700 13.5962 13.5962 14.3017 14.3017 k = 0.5000-0.2385 0.4437 ( 9524 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4608 -35.4608 -35.1774 -35.1774 -35.1754 -35.1754 -35.1719 -35.1719 -35.1699 -35.1699 -4.9936 -4.9936 -4.9803 -4.9803 -2.8854 -2.8854 -2.8269 -2.8269 -2.7921 -2.7921 0.9302 0.9302 3.1768 3.1768 5.5015 5.5015 5.8761 5.8761 7.8429 7.8429 8.1402 8.1402 13.5367 13.5367 14.2674 14.2674 k = 0.5000-0.2259 0.4526 ( 9526 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4608 -35.4608 -35.1773 -35.1773 -35.1754 -35.1754 -35.1719 -35.1719 -35.1699 -35.1699 -4.9935 -4.9935 -4.9804 -4.9804 -2.8851 -2.8851 -2.8267 -2.8267 -2.7927 -2.7927 0.9306 0.9306 3.1922 3.1922 5.4571 5.4571 5.8312 5.8312 7.9032 7.9032 8.2262 8.2262 13.4538 13.4538 14.2381 14.2381 k = 0.5000-0.2134 0.4615 ( 9530 PWs) bands (ev): -68.5079 -68.5079 -68.5076 -68.5076 -39.0684 -39.0684 -35.4626 -35.4626 -35.4608 -35.4608 -35.1773 -35.1773 -35.1754 -35.1754 -35.1719 -35.1719 -35.1700 -35.1700 -4.9934 -4.9934 -4.9805 -4.9805 -2.8848 -2.8848 -2.8266 -2.8266 -2.7934 -2.7934 0.9311 0.9311 3.2109 3.2109 5.4040 5.4040 5.7830 5.7830 7.9743 7.9743 8.3258 8.3258 13.3475 13.3475 14.2152 14.2152 k = 0.5000-0.2008 0.4704 ( 9530 PWs) bands (ev): -68.5079 -68.5079 -68.5076 -68.5076 -39.0684 -39.0684 -35.4626 -35.4626 -35.4608 -35.4608 -35.1772 -35.1772 -35.1754 -35.1754 -35.1718 -35.1718 -35.1700 -35.1700 -4.9933 -4.9933 -4.9806 -4.9806 -2.8844 -2.8844 -2.8264 -2.8264 -2.7942 -2.7942 0.9316 0.9316 3.2330 3.2330 5.3432 5.3432 5.7336 5.7336 8.0552 8.0552 8.4370 8.4370 13.2204 13.2204 14.1240 14.1240 k = 0.5000-0.1883 0.4792 ( 9538 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4626 -35.4626 -35.4609 -35.4609 -35.1772 -35.1772 -35.1754 -35.1754 -35.1718 -35.1718 -35.1701 -35.1701 -4.9931 -4.9931 -4.9808 -4.9808 -2.8840 -2.8840 -2.8261 -2.8261 -2.7952 -2.7952 0.9323 0.9323 3.2583 3.2583 5.2755 5.2755 5.6848 5.6848 8.1450 8.1450 8.5581 8.5581 13.0765 13.0765 13.9446 13.9446 k = 0.5000-0.1757 0.4881 ( 9542 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4625 -35.4625 -35.4609 -35.4609 -35.1771 -35.1771 -35.1754 -35.1754 -35.1718 -35.1718 -35.1701 -35.1701 -4.9929 -4.9929 -4.9810 -4.9810 -2.8835 -2.8835 -2.8258 -2.8258 -2.7962 -2.7962 0.9329 0.9329 3.2870 3.2870 5.2022 5.2022 5.6376 5.6376 8.2429 8.2429 8.6877 8.6877 12.9199 12.9199 13.7558 13.7558 k = 0.5000-0.1632 0.4970 ( 9534 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4625 -35.4625 -35.4610 -35.4610 -35.1771 -35.1771 -35.1754 -35.1754 -35.1718 -35.1718 -35.1702 -35.1702 -4.9927 -4.9927 -4.9812 -4.9812 -2.8830 -2.8830 -2.8255 -2.8255 -2.7974 -2.7974 0.9336 0.9336 3.3188 3.3188 5.1245 5.1245 5.5925 5.5925 8.3479 8.3479 8.8245 8.8245 12.7541 12.7541 13.5625 13.5625 k = 0.5000-0.1506 0.5059 ( 9534 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4625 -35.4625 -35.4610 -35.4610 -35.1770 -35.1770 -35.1755 -35.1755 -35.1718 -35.1718 -35.1703 -35.1703 -4.9925 -4.9925 -4.9814 -4.9814 -2.8825 -2.8825 -2.8251 -2.8251 -2.7986 -2.7986 0.9343 0.9343 3.3539 3.3539 5.0437 5.0437 5.5501 5.5501 8.4594 8.4594 8.9678 8.9678 12.5819 12.5819 13.3663 13.3663 k = 0.5000-0.1381 0.5147 ( 9518 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4624 -35.4624 -35.4610 -35.4610 -35.1769 -35.1769 -35.1755 -35.1755 -35.1717 -35.1717 -35.1703 -35.1703 -4.9923 -4.9923 -4.9816 -4.9816 -2.8820 -2.8820 -2.8247 -2.8247 -2.7999 -2.7999 0.9351 0.9351 3.3919 3.3919 4.9607 4.9607 5.5105 5.5105 8.5766 8.5766 9.1166 9.1166 12.4058 12.4058 13.1684 13.1684 k = 0.5000-0.1255 0.5236 ( 9518 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4623 -35.4623 -35.4611 -35.4611 -35.1768 -35.1768 -35.1755 -35.1755 -35.1717 -35.1717 -35.1704 -35.1704 -4.9921 -4.9921 -4.9818 -4.9818 -2.8815 -2.8815 -2.8242 -2.8242 -2.8012 -2.8012 0.9358 0.9358 3.4330 3.4330 4.8765 4.8765 5.4739 5.4739 8.6988 8.6988 9.2703 9.2703 12.2276 12.2276 12.9696 12.9696 k = 0.5000-0.1130 0.5325 ( 9510 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4623 -35.4623 -35.4611 -35.4611 -35.1768 -35.1768 -35.1755 -35.1755 -35.1717 -35.1717 -35.1705 -35.1705 -4.9919 -4.9919 -4.9820 -4.9820 -2.8809 -2.8809 -2.8236 -2.8236 -2.8026 -2.8026 0.9365 0.9365 3.4769 3.4769 4.7921 4.7921 5.4404 5.4404 8.8252 8.8252 9.4285 9.4285 12.0488 12.0488 12.7704 12.7704 k = 0.5000-0.1004 0.5414 ( 9508 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4622 -35.4622 -35.4612 -35.4612 -35.1767 -35.1767 -35.1756 -35.1756 -35.1717 -35.1717 -35.1706 -35.1706 -4.9916 -4.9916 -4.9822 -4.9822 -2.8805 -2.8805 -2.8230 -2.8230 -2.8040 -2.8040 0.9372 0.9372 3.5236 3.5236 4.7080 4.7080 5.4101 5.4101 8.9552 8.9552 9.5907 9.5907 11.8710 11.8710 12.5715 12.5715 k = 0.5000-0.0879 0.5502 ( 9512 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4622 -35.4622 -35.4613 -35.4613 -35.1766 -35.1766 -35.1756 -35.1756 -35.1716 -35.1716 -35.1707 -35.1707 -4.9914 -4.9914 -4.9825 -4.9825 -2.8800 -2.8800 -2.8223 -2.8223 -2.8055 -2.8055 0.9378 0.9378 3.5727 3.5727 4.6250 4.6250 5.3832 5.3832 9.0876 9.0876 9.7565 9.7565 11.6957 11.6957 12.3730 12.3730 k = 0.5000-0.0753 0.5591 ( 9522 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1765 -35.1765 -35.1757 -35.1757 -35.1716 -35.1716 -35.1708 -35.1708 -4.9912 -4.9912 -4.9827 -4.9827 -2.8796 -2.8796 -2.8215 -2.8215 -2.8069 -2.8069 0.9384 0.9384 3.6239 3.6239 4.5438 4.5438 5.3596 5.3596 9.2212 9.2212 9.9254 9.9254 11.5245 11.5245 12.1756 12.1756 k = 0.5000-0.0628 0.5680 ( 9530 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4614 -35.4614 -35.1764 -35.1764 -35.1757 -35.1757 -35.1715 -35.1715 -35.1708 -35.1708 -4.9910 -4.9910 -4.9829 -4.9829 -2.8792 -2.8792 -2.8206 -2.8206 -2.8084 -2.8084 0.9389 0.9389 3.6768 3.6768 4.4651 4.4651 5.3396 5.3396 9.3541 9.3541 10.0971 10.0971 11.3599 11.3599 11.9794 11.9794 k = 0.5000-0.0502 0.5769 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1763 -35.1763 -35.1758 -35.1758 -35.1715 -35.1715 -35.1709 -35.1709 -4.9908 -4.9908 -4.9830 -4.9830 -2.8789 -2.8789 -2.8197 -2.8197 -2.8098 -2.8098 0.9393 0.9393 3.7304 3.7304 4.3902 4.3902 5.3231 5.3231 9.4832 9.4832 10.2708 10.2708 11.2053 11.2053 11.7848 11.7848 k = 0.5000-0.0377 0.5857 ( 9518 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1763 -35.1763 -35.1758 -35.1758 -35.1714 -35.1714 -35.1710 -35.1710 -4.9907 -4.9907 -4.9832 -4.9832 -2.8786 -2.8786 -2.8187 -2.8187 -2.8112 -2.8112 0.9396 0.9396 3.7831 3.7831 4.3208 4.3208 5.3102 5.3102 9.6037 9.6037 10.4452 10.4452 11.0668 11.0668 11.5923 11.5923 k = 0.5000-0.0251 0.5946 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4616 -35.4616 -35.1762 -35.1762 -35.1759 -35.1759 -35.1714 -35.1714 -35.1711 -35.1711 -4.9906 -4.9906 -4.9833 -4.9833 -2.8784 -2.8784 -2.8176 -2.8176 -2.8126 -2.8126 0.9399 0.9399 3.8315 3.8315 4.2603 4.2603 5.3009 5.3009 9.7073 9.7073 10.6148 10.6148 10.9574 10.9574 11.4026 11.4026 k = 0.5000-0.0126 0.6035 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1761 -35.1761 -35.1759 -35.1759 -35.1713 -35.1713 -35.1712 -35.1712 -4.9905 -4.9905 -4.9833 -4.9833 -2.8783 -2.8783 -2.8165 -2.8165 -2.8139 -2.8139 0.9400 0.9400 3.8687 3.8687 4.2158 4.2158 5.2954 5.2954 9.7806 9.7806 10.7459 10.7459 10.9222 10.9222 11.2177 11.2177 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1761 -35.1761 -35.1760 -35.1760 -35.1712 -35.1712 -35.1712 -35.1712 -4.9905 -4.9905 -4.9834 -4.9834 -2.8783 -2.8783 -2.8154 -2.8154 -2.8151 -2.8151 0.9401 0.9401 3.8835 3.8835 4.1986 4.1986 5.2935 5.2935 9.8077 9.8077 10.7702 10.7702 11.0209 11.0209 11.0624 11.0624 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1761 -35.1761 -35.1760 -35.1760 -35.1712 -35.1712 -35.1712 -35.1712 -4.9905 -4.9905 -4.9834 -4.9834 -2.8783 -2.8783 -2.8154 -2.8154 -2.8151 -2.8151 0.9401 0.9401 3.8835 3.8835 4.1986 4.1986 5.2935 5.2935 9.8077 9.8077 10.7702 10.7702 11.0209 11.0209 11.0624 11.0624 k = 0.4926 0.0127 0.6124 ( 9523 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4617 -35.4617 -35.1761 -35.1761 -35.1760 -35.1760 -35.1713 -35.1713 -35.1712 -35.1712 -4.9905 -4.9905 -4.9834 -4.9834 -2.8783 -2.8783 -2.8163 -2.8163 -2.8142 -2.8142 0.9391 0.9391 3.8768 3.8768 4.2063 4.2063 5.2979 5.2979 9.7918 9.7918 10.7501 10.7501 10.9623 10.9623 11.1617 11.1617 k = 0.4853 0.0255 0.6124 ( 9519 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1761 -35.1761 -35.1759 -35.1759 -35.1713 -35.1713 -35.1711 -35.1711 -4.9906 -4.9906 -4.9833 -4.9833 -2.8783 -2.8783 -2.8173 -2.8173 -2.8132 -2.8132 0.9364 0.9364 3.8590 3.8590 4.2259 4.2259 5.3118 5.3118 9.7418 9.7418 10.6891 10.6891 10.9631 10.9631 11.2858 11.2858 k = 0.4779 0.0382 0.6124 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1762 -35.1762 -35.1759 -35.1759 -35.1714 -35.1714 -35.1711 -35.1711 -4.9906 -4.9906 -4.9833 -4.9833 -2.8784 -2.8784 -2.8182 -2.8182 -2.8121 -2.8121 0.9324 0.9324 3.8346 3.8346 4.2517 4.2517 5.3361 5.3361 9.6584 9.6584 10.6199 10.6199 11.0102 11.0102 11.4145 11.4145 k = 0.4706 0.0509 0.6124 ( 9526 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1762 -35.1762 -35.1758 -35.1758 -35.1714 -35.1714 -35.1711 -35.1711 -4.9907 -4.9907 -4.9833 -4.9833 -2.8785 -2.8785 -2.8192 -2.8192 -2.8111 -2.8111 0.9273 0.9273 3.8069 3.8069 4.2789 4.2789 5.3715 5.3715 9.5472 9.5472 10.5610 10.5610 11.0813 11.0813 11.5464 11.5464 k = 0.4632 0.0637 0.6124 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1762 -35.1762 -35.1758 -35.1758 -35.1714 -35.1714 -35.1710 -35.1710 -4.9908 -4.9908 -4.9832 -4.9832 -2.8786 -2.8786 -2.8201 -2.8201 -2.8102 -2.8102 0.9215 0.9215 3.7784 3.7784 4.3044 4.3044 5.4181 5.4181 9.4159 9.4159 10.5142 10.5142 11.1678 11.1678 11.6807 11.6807 k = 0.4559 0.0764 0.6124 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1763 -35.1763 -35.1758 -35.1758 -35.1715 -35.1715 -35.1710 -35.1710 -4.9909 -4.9909 -4.9832 -4.9832 -2.8788 -2.8788 -2.8209 -2.8209 -2.8092 -2.8092 0.9153 0.9153 3.7504 3.7504 4.3265 4.3265 5.4756 5.4756 9.2721 9.2721 10.4769 10.4769 11.2653 11.2653 11.8170 11.8170 k = 0.4485 0.0891 0.6124 ( 9510 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1763 -35.1763 -35.1757 -35.1757 -35.1715 -35.1715 -35.1710 -35.1710 -4.9910 -4.9910 -4.9831 -4.9831 -2.8789 -2.8789 -2.8217 -2.8217 -2.8083 -2.8083 0.9088 0.9088 3.7236 3.7236 4.3445 4.3445 5.5429 5.5429 9.1217 9.1217 10.4466 10.4466 11.3710 11.3710 11.9549 11.9549 k = 0.4412 0.1019 0.6124 ( 9510 PWs) bands (ev): -68.5078 -68.5078 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1763 -35.1763 -35.1757 -35.1757 -35.1715 -35.1715 -35.1709 -35.1709 -4.9911 -4.9911 -4.9830 -4.9830 -2.8790 -2.8790 -2.8225 -2.8225 -2.8075 -2.8075 0.9024 0.9024 3.6987 3.6987 4.3585 4.3585 5.6185 5.6185 8.9691 8.9691 10.4214 10.4214 11.4829 11.4829 12.0940 12.0940 k = 0.4338 0.1146 0.6124 ( 9518 PWs) bands (ev): -68.5078 -68.5078 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1763 -35.1763 -35.1757 -35.1757 -35.1716 -35.1716 -35.1709 -35.1709 -4.9913 -4.9913 -4.9830 -4.9830 -2.8792 -2.8792 -2.8231 -2.8231 -2.8068 -2.8068 0.8961 0.8961 3.6758 3.6758 4.3690 4.3690 5.7006 5.7006 8.8178 8.8178 10.4003 10.4003 11.5994 11.5994 12.2338 12.2338 k = 0.4265 0.1274 0.6124 ( 9530 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4614 -35.4614 -35.1764 -35.1764 -35.1756 -35.1756 -35.1716 -35.1716 -35.1709 -35.1709 -4.9914 -4.9914 -4.9829 -4.9829 -2.8793 -2.8793 -2.8237 -2.8237 -2.8061 -2.8061 0.8903 0.8903 3.6554 3.6554 4.3764 4.3764 5.7867 5.7867 8.6708 8.6708 10.3825 10.3825 11.7192 11.7192 12.3736 12.3736 k = 0.4191 0.1401 0.6124 ( 9526 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4614 -35.4614 -35.1764 -35.1764 -35.1756 -35.1756 -35.1716 -35.1716 -35.1709 -35.1709 -4.9915 -4.9915 -4.9829 -4.9829 -2.8795 -2.8795 -2.8243 -2.8243 -2.8055 -2.8055 0.8849 0.8849 3.6375 3.6375 4.3814 4.3814 5.8742 5.8742 8.5309 8.5309 10.3675 10.3675 11.8409 11.8409 12.5124 12.5124 k = 0.4118 0.1528 0.6124 ( 9533 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1716 -35.1716 -35.1709 -35.1709 -4.9916 -4.9916 -4.9828 -4.9828 -2.8796 -2.8796 -2.8247 -2.8247 -2.8049 -2.8049 0.8802 0.8802 3.6221 3.6221 4.3847 4.3847 5.9600 5.9600 8.4012 8.4012 10.3551 10.3551 11.9628 11.9628 12.6485 12.6485 k = 0.4044 0.1656 0.6124 ( 9532 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1709 -35.1709 -4.9917 -4.9917 -4.9828 -4.9828 -2.8797 -2.8797 -2.8251 -2.8251 -2.8045 -2.8045 0.8762 0.8762 3.6095 3.6095 4.3867 4.3867 6.0403 6.0403 8.2853 8.2853 10.3451 10.3451 12.0826 12.0826 12.7792 12.7792 k = 0.3971 0.1783 0.6124 ( 9542 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1709 -35.1709 -4.9917 -4.9917 -4.9827 -4.9827 -2.8798 -2.8798 -2.8254 -2.8254 -2.8041 -2.8041 0.8730 0.8730 3.5997 3.5997 4.3879 4.3879 6.1107 6.1107 8.1874 8.1874 10.3375 10.3375 12.1964 12.1964 12.8999 12.8999 k = 0.3897 0.1910 0.6124 ( 9538 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1709 -35.1709 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8256 -2.8256 -2.8039 -2.8039 0.8707 0.8707 3.5926 3.5926 4.3885 4.3885 6.1663 6.1663 8.1123 8.1123 10.3320 10.3320 12.2971 12.2971 13.0028 13.0028 k = 0.3824 0.2038 0.6124 ( 9533 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1708 -35.1708 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8257 -2.8257 -2.8037 -2.8037 0.8693 0.8693 3.5883 3.5883 4.3888 4.3888 6.2022 6.2022 8.0648 8.0648 10.3288 10.3288 12.3713 12.3713 13.0749 13.0749 k = 0.3750 0.2165 0.6124 ( 9547 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1708 -35.1708 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8258 -2.8258 -2.8037 -2.8037 0.8688 0.8688 3.5869 3.5869 4.3889 4.3889 6.2146 6.2146 8.0484 8.0484 10.3277 10.3277 12.3997 12.3997 13.0983 13.0983 k = 0.3750 0.2165 0.6124 ( 9547 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1708 -35.1708 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8258 -2.8258 -2.8037 -2.8037 0.8688 0.8688 3.5869 3.5869 4.3889 4.3889 6.2146 6.2146 8.0484 8.0484 10.3277 10.3277 12.3997 12.3997 13.0983 13.0983 k = 0.3673 0.2121 0.5999 ( 9533 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4614 -35.4614 -35.1763 -35.1763 -35.1756 -35.1756 -35.1717 -35.1717 -35.1710 -35.1710 -4.9917 -4.9917 -4.9830 -4.9830 -2.8795 -2.8795 -2.8260 -2.8260 -2.8045 -2.8045 0.8510 0.8510 3.6385 3.6385 4.3249 4.3249 6.2667 6.2667 8.0778 8.0778 10.5306 10.5306 12.2813 12.2813 12.9842 12.9842 k = 0.3597 0.2077 0.5874 ( 9537 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1762 -35.1762 -35.1756 -35.1756 -35.1716 -35.1716 -35.1711 -35.1711 -4.9916 -4.9916 -4.9832 -4.9832 -2.8791 -2.8791 -2.8264 -2.8264 -2.8052 -2.8052 0.8300 0.8300 3.6916 3.6916 4.2703 4.2703 6.3219 6.3219 8.1088 8.1088 10.7317 10.7317 12.1620 12.1620 12.8698 12.8698 k = 0.3520 0.2033 0.5749 ( 9537 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1761 -35.1761 -35.1756 -35.1756 -35.1716 -35.1716 -35.1712 -35.1712 -4.9915 -4.9915 -4.9835 -4.9835 -2.8788 -2.8788 -2.8268 -2.8268 -2.8058 -2.8058 0.8055 0.8055 3.7450 3.7450 4.2267 4.2267 6.3801 6.3801 8.1414 8.1414 10.9283 10.9283 12.0424 12.0424 12.7577 12.7577 k = 0.3444 0.1988 0.5624 ( 9547 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1759 -35.1759 -35.1757 -35.1757 -35.1716 -35.1716 -35.1714 -35.1714 -4.9915 -4.9915 -4.9838 -4.9838 -2.8785 -2.8785 -2.8274 -2.8274 -2.8062 -2.8062 0.7774 0.7774 3.7973 3.7973 4.1958 4.1958 6.4412 6.4412 8.1756 8.1756 11.1168 11.1168 11.9230 11.9230 12.6480 12.6480 k = 0.3367 0.1944 0.5499 ( 9517 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1758 -35.1758 -35.1757 -35.1757 -35.1716 -35.1716 -35.1715 -35.1715 -4.9915 -4.9915 -4.9840 -4.9840 -2.8783 -2.8783 -2.8280 -2.8280 -2.8065 -2.8065 0.7455 0.7455 3.8460 3.8460 4.1803 4.1803 6.5052 6.5052 8.2114 8.2114 11.2915 11.2915 11.8042 11.8042 12.5408 12.5408 k = 0.3291 0.1900 0.5374 ( 9513 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1757 -35.1757 -35.1756 -35.1756 -35.1716 -35.1716 -35.1715 -35.1715 -4.9915 -4.9915 -4.9843 -4.9843 -2.8781 -2.8781 -2.8287 -2.8287 -2.8067 -2.8067 0.7099 0.7099 3.8879 3.8879 4.1835 4.1835 6.5720 6.5720 8.2486 8.2486 11.4440 11.4440 11.6869 11.6869 12.4360 12.4360 k = 0.3214 0.1856 0.5249 ( 9525 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1758 -35.1758 -35.1755 -35.1755 -35.1718 -35.1718 -35.1715 -35.1715 -4.9915 -4.9915 -4.9846 -4.9846 -2.8781 -2.8781 -2.8295 -2.8295 -2.8068 -2.8068 0.6707 0.6707 3.9210 3.9210 4.2076 4.2076 6.6415 6.6415 8.2874 8.2874 11.5455 11.5455 11.5906 11.5906 12.3338 12.3338 k = 0.3138 0.1812 0.5124 ( 9529 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1758 -35.1758 -35.1753 -35.1753 -35.1719 -35.1719 -35.1715 -35.1715 -4.9916 -4.9916 -4.9848 -4.9848 -2.8781 -2.8781 -2.8303 -2.8303 -2.8068 -2.8068 0.6278 0.6278 3.9468 3.9468 4.2510 4.2510 6.7137 6.7137 8.3277 8.3277 11.4490 11.4490 11.6545 11.6545 12.2341 12.2341 k = 0.3061 0.1767 0.4999 ( 9511 PWs) bands (ev): -68.5078 -68.5078 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1758 -35.1758 -35.1752 -35.1752 -35.1721 -35.1721 -35.1714 -35.1714 -4.9917 -4.9917 -4.9851 -4.9851 -2.8782 -2.8782 -2.8310 -2.8310 -2.8068 -2.8068 0.5816 0.5816 3.9695 3.9695 4.3093 4.3093 6.7884 6.7884 8.3695 8.3695 11.3358 11.3358 11.6967 11.6967 12.1370 12.1370 k = 0.2985 0.1723 0.4874 ( 9511 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1758 -35.1758 -35.1750 -35.1750 -35.1723 -35.1723 -35.1714 -35.1714 -4.9919 -4.9919 -4.9853 -4.9853 -2.8784 -2.8784 -2.8318 -2.8318 -2.8068 -2.8068 0.5323 0.5323 3.9934 3.9934 4.3781 4.3781 6.8656 6.8656 8.4126 8.4126 11.2237 11.2237 11.7060 11.7060 12.0424 12.0424 k = 0.2908 0.1679 0.4749 ( 9521 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4622 -35.4622 -35.4612 -35.4612 -35.1759 -35.1759 -35.1748 -35.1748 -35.1724 -35.1724 -35.1714 -35.1714 -4.9920 -4.9920 -4.9856 -4.9856 -2.8787 -2.8787 -2.8325 -2.8325 -2.8067 -2.8067 0.4802 0.4802 4.0211 4.0211 4.4544 4.4544 6.9452 6.9452 8.4571 8.4571 11.1137 11.1137 11.6915 11.6915 11.9503 11.9503 k = 0.2832 0.1635 0.4624 ( 9525 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4623 -35.4623 -35.4611 -35.4611 -35.1759 -35.1759 -35.1747 -35.1747 -35.1726 -35.1726 -35.1713 -35.1713 -4.9922 -4.9922 -4.9858 -4.9858 -2.8791 -2.8791 -2.8331 -2.8331 -2.8067 -2.8067 0.4255 0.4255 4.0543 4.0543 4.5363 4.5363 7.0270 7.0270 8.5028 8.5028 11.0059 11.0059 11.6617 11.6617 11.8608 11.8608 k = 0.2755 0.1591 0.4499 ( 9523 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4624 -35.4624 -35.4610 -35.4610 -35.1759 -35.1759 -35.1745 -35.1745 -35.1727 -35.1727 -35.1713 -35.1713 -4.9924 -4.9924 -4.9861 -4.9861 -2.8795 -2.8795 -2.8337 -2.8337 -2.8067 -2.8067 0.3688 0.3688 4.0936 4.0936 4.6227 4.6227 7.1110 7.1110 8.5498 8.5498 10.9007 10.9007 11.6225 11.6225 11.7739 11.7739 k = 0.2679 0.1546 0.4374 ( 9533 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4625 -35.4625 -35.4609 -35.4609 -35.1760 -35.1760 -35.1744 -35.1744 -35.1729 -35.1729 -35.1713 -35.1713 -4.9927 -4.9927 -4.9863 -4.9863 -2.8800 -2.8800 -2.8342 -2.8342 -2.8067 -2.8067 0.3102 0.3102 4.1394 4.1394 4.7131 4.7131 7.1970 7.1970 8.5980 8.5980 10.7985 10.7985 11.5780 11.5780 11.6895 11.6895 k = 0.2602 0.1502 0.4249 ( 9513 PWs) bands (ev): -68.5079 -68.5079 -68.5076 -68.5076 -39.0684 -39.0684 -35.4626 -35.4626 -35.4608 -35.4608 -35.1760 -35.1760 -35.1742 -35.1742 -35.1731 -35.1731 -35.1712 -35.1712 -4.9929 -4.9929 -4.9866 -4.9866 -2.8806 -2.8806 -2.8346 -2.8346 -2.8067 -2.8067 0.2503 0.2503 4.1918 4.1918 4.8069 4.8069 7.2847 7.2847 8.6471 8.6471 10.6993 10.6993 11.5306 11.5306 11.6078 11.6078 k = 0.2526 0.1458 0.4124 ( 9507 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1760 -35.1760 -35.1740 -35.1740 -35.1732 -35.1732 -35.1712 -35.1712 -4.9932 -4.9932 -4.9869 -4.9869 -2.8813 -2.8813 -2.8350 -2.8350 -2.8068 -2.8068 0.1893 0.1893 4.2506 4.2506 4.9039 4.9039 7.3741 7.3741 8.6973 8.6973 10.6036 10.6036 11.4820 11.4820 11.5288 11.5288 k = 0.2449 0.1414 0.3999 ( 9495 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4628 -35.4628 -35.4606 -35.4606 -35.1761 -35.1761 -35.1738 -35.1738 -35.1734 -35.1734 -35.1711 -35.1711 -4.9934 -4.9934 -4.9872 -4.9872 -2.8820 -2.8820 -2.8352 -2.8352 -2.8070 -2.8070 0.1276 0.1276 4.3156 4.3156 5.0039 5.0039 7.4649 7.4649 8.7482 8.7482 10.5117 10.5117 11.4322 11.4322 11.4538 11.4538 k = 0.2372 0.1370 0.3874 ( 9501 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4629 -35.4629 -35.4605 -35.4605 -35.1761 -35.1761 -35.1737 -35.1737 -35.1736 -35.1736 -35.1711 -35.1711 -4.9937 -4.9937 -4.9875 -4.9875 -2.8828 -2.8828 -2.8354 -2.8354 -2.8072 -2.8072 0.0656 0.0656 4.3868 4.3868 5.1066 5.1066 7.5567 7.5567 8.7999 8.7999 10.4238 10.4238 11.3723 11.3723 11.3923 11.3923 k = 0.2296 0.1326 0.3749 ( 9507 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4630 -35.4630 -35.4604 -35.4604 -35.1761 -35.1761 -35.1737 -35.1737 -35.1735 -35.1735 -35.1711 -35.1711 -4.9940 -4.9940 -4.9878 -4.9878 -2.8836 -2.8836 -2.8355 -2.8355 -2.8075 -2.8075 0.0035 0.0035 4.4638 4.4638 5.2120 5.2120 7.6492 7.6492 8.8521 8.8521 10.3405 10.3405 11.3026 11.3026 11.3448 11.3448 k = 0.2219 0.1281 0.3624 ( 9519 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4630 -35.4630 -35.4603 -35.4603 -35.1762 -35.1762 -35.1739 -35.1739 -35.1733 -35.1733 -35.1710 -35.1710 -4.9942 -4.9942 -4.9882 -4.9882 -2.8844 -2.8844 -2.8355 -2.8355 -2.8079 -2.8079 -0.0583 -0.0583 4.5464 4.5464 5.3199 5.3199 7.7421 7.7421 8.9046 8.9046 10.2622 10.2622 11.2337 11.2337 11.3008 11.3008 k = 0.2143 0.1237 0.3499 ( 9517 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4631 -35.4631 -35.4602 -35.4602 -35.1762 -35.1762 -35.1741 -35.1741 -35.1732 -35.1732 -35.1710 -35.1710 -4.9945 -4.9945 -4.9886 -4.9886 -2.8853 -2.8853 -2.8354 -2.8354 -2.8083 -2.8083 -0.1196 -0.1196 4.6344 4.6344 5.4302 5.4302 7.8347 7.8347 8.9573 8.9573 10.1894 10.1894 11.1670 11.1670 11.2595 11.2595 k = 0.2066 0.1193 0.3374 ( 9521 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4632 -35.4632 -35.4601 -35.4601 -35.1762 -35.1762 -35.1742 -35.1742 -35.1730 -35.1730 -35.1710 -35.1710 -4.9948 -4.9948 -4.9889 -4.9889 -2.8862 -2.8862 -2.8353 -2.8353 -2.8088 -2.8088 -0.1802 -0.1802 4.7276 4.7276 5.5428 5.5428 7.9264 7.9264 9.0099 9.0099 10.1230 10.1230 11.1025 11.1025 11.2205 11.2205 k = 0.1990 0.1149 0.3249 ( 9527 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4633 -35.4633 -35.4600 -35.4600 -35.1763 -35.1763 -35.1744 -35.1744 -35.1728 -35.1728 -35.1709 -35.1709 -4.9951 -4.9951 -4.9893 -4.9893 -2.8871 -2.8871 -2.8351 -2.8351 -2.8093 -2.8093 -0.2399 -0.2399 4.8258 4.8258 5.6576 5.6576 8.0163 8.0163 9.0622 9.0622 10.0637 10.0637 11.0405 11.0405 11.1836 11.1836 k = 0.1913 0.1105 0.3124 ( 9509 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4634 -35.4634 -35.4599 -35.4599 -35.1763 -35.1763 -35.1746 -35.1746 -35.1727 -35.1727 -35.1709 -35.1709 -4.9953 -4.9953 -4.9898 -4.9898 -2.8880 -2.8880 -2.8349 -2.8349 -2.8099 -2.8099 -0.2983 -0.2983 4.9287 4.9287 5.7745 5.7745 8.1036 8.1036 9.1138 9.1138 10.0125 10.0125 10.9809 10.9809 11.1479 11.1479 k = 0.1837 0.1060 0.2999 ( 9515 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4635 -35.4635 -35.4598 -35.4598 -35.1763 -35.1763 -35.1747 -35.1747 -35.1725 -35.1725 -35.1709 -35.1709 -4.9956 -4.9956 -4.9902 -4.9902 -2.8889 -2.8889 -2.8346 -2.8346 -2.8106 -2.8106 -0.3554 -0.3554 5.0361 5.0361 5.8934 5.8934 8.1870 8.1870 9.1645 9.1645 9.9707 9.9707 10.9237 10.9237 11.1108 11.1108 k = 0.1760 0.1016 0.2874 ( 9507 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4636 -35.4636 -35.4597 -35.4597 -35.1764 -35.1764 -35.1749 -35.1749 -35.1724 -35.1724 -35.1708 -35.1708 -4.9958 -4.9958 -4.9906 -4.9906 -2.8899 -2.8899 -2.8343 -2.8343 -2.8113 -2.8113 -0.4111 -0.4111 5.1479 5.1479 6.0142 6.0142 8.2651 8.2651 9.2139 9.2139 9.9398 9.9398 10.8689 10.8689 11.0674 11.0674 k = 0.1684 0.0972 0.2749 ( 9511 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4637 -35.4637 -35.4596 -35.4596 -35.1764 -35.1764 -35.1750 -35.1750 -35.1722 -35.1722 -35.1708 -35.1708 -4.9961 -4.9961 -4.9911 -4.9911 -2.8908 -2.8908 -2.8339 -2.8339 -2.8121 -2.8121 -0.4650 -0.4650 5.2637 5.2637 6.1367 6.1367 8.3364 8.3364 9.2616 9.2616 9.9211 9.9211 10.8165 10.8165 11.0141 11.0141 k = 0.1607 0.0928 0.2624 ( 9507 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4638 -35.4638 -35.4595 -35.4595 -35.1764 -35.1764 -35.1751 -35.1751 -35.1721 -35.1721 -35.1708 -35.1708 -4.9963 -4.9963 -4.9916 -4.9916 -2.8917 -2.8917 -2.8335 -2.8335 -2.8129 -2.8129 -0.5172 -0.5172 5.3834 5.3834 6.2608 6.2608 8.3994 8.3994 9.3072 9.3072 9.9163 9.9163 10.7665 10.7665 10.9534 10.9534 k = 0.1531 0.0884 0.2499 ( 9521 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4638 -35.4638 -35.4595 -35.4595 -35.1765 -35.1765 -35.1753 -35.1753 -35.1719 -35.1719 -35.1707 -35.1707 -4.9965 -4.9965 -4.9921 -4.9921 -2.8926 -2.8926 -2.8331 -2.8331 -2.8137 -2.8137 -0.5675 -0.5675 5.5067 5.5067 6.3864 6.3864 8.4529 8.4529 9.3504 9.3504 9.9266 9.9266 10.7188 10.7188 10.8903 10.8903 k = 0.1454 0.0840 0.2375 ( 9533 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4639 -35.4639 -35.4594 -35.4594 -35.1765 -35.1765 -35.1754 -35.1754 -35.1718 -35.1718 -35.1707 -35.1707 -4.9967 -4.9967 -4.9925 -4.9925 -2.8935 -2.8935 -2.8326 -2.8326 -2.8146 -2.8146 -0.6158 -0.6158 5.6334 5.6334 6.5132 6.5132 8.4960 8.4960 9.3907 9.3907 9.9528 9.9528 10.6735 10.6735 10.8278 10.8278 k = 0.1378 0.0795 0.2250 ( 9519 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4640 -35.4640 -35.4593 -35.4593 -35.1765 -35.1765 -35.1756 -35.1756 -35.1717 -35.1717 -35.1707 -35.1707 -4.9969 -4.9969 -4.9930 -4.9930 -2.8944 -2.8944 -2.8322 -2.8322 -2.8155 -2.8155 -0.6620 -0.6620 5.7633 5.7633 6.6411 6.6411 8.5287 8.5287 9.4278 9.4278 9.9949 9.9949 10.6306 10.6306 10.7673 10.7673 k = 0.1301 0.0751 0.2125 ( 9517 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4641 -35.4641 -35.4592 -35.4592 -35.1765 -35.1765 -35.1757 -35.1757 -35.1715 -35.1715 -35.1706 -35.1706 -4.9971 -4.9971 -4.9935 -4.9935 -2.8953 -2.8953 -2.8317 -2.8317 -2.8164 -2.8164 -0.7060 -0.7060 5.8959 5.8959 6.7698 6.7698 8.5516 8.5516 9.4613 9.4613 10.0523 10.0523 10.5900 10.5900 10.7096 10.7096 k = 0.1224 0.0707 0.2000 ( 9517 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4641 -35.4641 -35.4592 -35.4592 -35.1766 -35.1766 -35.1758 -35.1758 -35.1714 -35.1714 -35.1706 -35.1706 -4.9973 -4.9973 -4.9940 -4.9940 -2.8961 -2.8961 -2.8312 -2.8312 -2.8173 -2.8173 -0.7478 -0.7478 6.0311 6.0311 6.8991 6.8991 8.5662 8.5662 9.4910 9.4910 10.1234 10.1234 10.5518 10.5518 10.6553 10.6553 k = 0.1148 0.0663 0.1875 ( 9525 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4642 -35.4642 -35.4591 -35.4591 -35.1766 -35.1766 -35.1759 -35.1759 -35.1713 -35.1713 -35.1706 -35.1706 -4.9974 -4.9974 -4.9945 -4.9945 -2.8970 -2.8970 -2.8307 -2.8307 -2.8182 -2.8182 -0.7873 -0.7873 6.1682 6.1682 7.0287 7.0287 8.5741 8.5741 9.5165 9.5165 10.2059 10.2059 10.5162 10.5162 10.6048 10.6048 k = 0.1071 0.0619 0.1750 ( 9529 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4643 -35.4643 -35.4590 -35.4590 -35.1766 -35.1766 -35.1760 -35.1760 -35.1712 -35.1712 -35.1706 -35.1706 -4.9976 -4.9976 -4.9949 -4.9949 -2.8978 -2.8978 -2.8302 -2.8302 -2.8190 -2.8190 -0.8244 -0.8244 6.3070 6.3070 7.1582 7.1582 8.5773 8.5773 9.5378 9.5378 10.2963 10.2963 10.4841 10.4841 10.5590 10.5590 k = 0.0995 0.0574 0.1625 ( 9533 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4643 -35.4643 -35.4590 -35.4590 -35.1766 -35.1766 -35.1761 -35.1761 -35.1711 -35.1711 -35.1705 -35.1705 -4.9977 -4.9977 -4.9954 -4.9954 -2.8985 -2.8985 -2.8298 -2.8298 -2.8199 -2.8199 -0.8592 -0.8592 6.4466 6.4466 7.2873 7.2873 8.5777 8.5777 9.5547 9.5547 10.3815 10.3815 10.4619 10.4619 10.5229 10.5229 k = 0.0918 0.0530 0.1500 ( 9529 PWs) bands (ev): -68.5082 -68.5082 -68.5073 -68.5073 -39.0684 -39.0684 -35.4644 -35.4644 -35.4589 -35.4589 -35.1767 -35.1767 -35.1762 -35.1762 -35.1710 -35.1710 -35.1705 -35.1705 -4.9979 -4.9979 -4.9958 -4.9958 -2.8993 -2.8993 -2.8293 -2.8293 -2.8207 -2.8207 -0.8914 -0.8914 6.5864 6.5864 7.4156 7.4156 8.5771 8.5771 9.5670 9.5670 10.4009 10.4009 10.4578 10.4578 10.5471 10.5471 k = 0.0842 0.0486 0.1375 ( 9525 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4644 -35.4644 -35.4589 -35.4589 -35.1767 -35.1767 -35.1763 -35.1763 -35.1709 -35.1709 -35.1705 -35.1705 -4.9980 -4.9980 -4.9962 -4.9962 -2.9000 -2.9000 -2.8288 -2.8288 -2.8215 -2.8215 -0.9212 -0.9212 6.7252 6.7252 7.5428 7.5428 8.5770 8.5770 9.5745 9.5745 10.3785 10.3785 10.4304 10.4304 10.6471 10.6471 k = 0.0765 0.0442 0.1250 ( 9517 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4645 -35.4645 -35.4588 -35.4588 -35.1767 -35.1767 -35.1764 -35.1764 -35.1708 -35.1708 -35.1705 -35.1705 -4.9981 -4.9981 -4.9966 -4.9966 -2.9006 -2.9006 -2.8284 -2.8284 -2.8223 -2.8223 -0.9485 -0.9485 6.8619 6.8619 7.6684 7.6684 8.5791 8.5791 9.5769 9.5769 10.3530 10.3530 10.4016 10.4016 10.7609 10.7609 k = 0.0689 0.0398 0.1125 ( 9517 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4645 -35.4645 -35.4588 -35.4588 -35.1767 -35.1767 -35.1764 -35.1764 -35.1707 -35.1707 -35.1705 -35.1705 -4.9982 -4.9982 -4.9970 -4.9970 -2.9013 -2.9013 -2.8280 -2.8280 -2.8230 -2.8230 -0.9733 -0.9733 6.9947 6.9947 7.7922 7.7922 8.5845 8.5845 9.5736 9.5736 10.3283 10.3283 10.3757 10.3757 10.8772 10.8772 k = 0.0612 0.0353 0.1000 ( 9511 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4587 -35.4587 -35.1767 -35.1767 -35.1765 -35.1765 -35.1707 -35.1707 -35.1705 -35.1705 -4.9983 -4.9983 -4.9973 -4.9973 -2.9018 -2.9018 -2.8277 -2.8277 -2.8236 -2.8236 -0.9955 -0.9955 7.1214 7.1214 7.9142 7.9142 8.5943 8.5943 9.5638 9.5638 10.3056 10.3056 10.3532 10.3532 10.9832 10.9832 k = 0.0536 0.0309 0.0875 ( 9519 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4587 -35.4587 -35.1767 -35.1767 -35.1766 -35.1766 -35.1706 -35.1706 -35.1704 -35.1704 -4.9984 -4.9984 -4.9976 -4.9976 -2.9023 -2.9023 -2.8273 -2.8273 -2.8242 -2.8242 -1.0151 -1.0151 7.2396 7.2396 8.0346 8.0346 8.6091 8.6091 9.5461 9.5461 10.2856 10.2856 10.3338 10.3338 10.8899 10.8899 k = 0.0459 0.0265 0.0750 ( 9503 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4586 -35.4586 -35.1767 -35.1767 -35.1766 -35.1766 -35.1705 -35.1705 -35.1704 -35.1704 -4.9984 -4.9984 -4.9979 -4.9979 -2.9028 -2.9028 -2.8270 -2.8270 -2.8247 -2.8247 -1.0321 -1.0321 7.3463 7.3463 8.1541 8.1541 8.6289 8.6289 9.5187 9.5187 10.2686 10.2686 10.3169 10.3169 10.7403 10.7403 k = 0.0383 0.0221 0.0625 ( 9491 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4586 -35.4586 -35.1767 -35.1767 -35.1767 -35.1767 -35.1705 -35.1705 -35.1704 -35.1704 -4.9985 -4.9985 -4.9981 -4.9981 -2.9032 -2.9032 -2.8268 -2.8268 -2.8251 -2.8251 -1.0465 -1.0465 7.4389 7.4389 8.2734 8.2734 8.6528 8.6528 9.4794 9.4794 10.2548 10.2548 10.3021 10.3021 10.6055 10.6055 k = 0.0306 0.0177 0.0500 ( 9497 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1767 -35.1767 -35.1705 -35.1705 -35.1704 -35.1704 -4.9985 -4.9985 -4.9983 -4.9983 -2.9035 -2.9035 -2.8266 -2.8266 -2.8255 -2.8255 -1.0583 -1.0583 7.5152 7.5152 8.3924 8.3924 8.6787 8.6787 9.4266 9.4266 10.2440 10.2440 10.2879 10.2879 10.4928 10.4928 k = 0.0230 0.0133 0.0375 ( 9493 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1767 -35.1767 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9984 -4.9984 -2.9037 -2.9037 -2.8264 -2.8264 -2.8258 -2.8258 -1.0675 -1.0675 7.5741 7.5741 8.5095 8.5095 8.7038 8.7038 9.3606 9.3606 10.2361 10.2361 10.2722 10.2722 10.4089 10.4089 k = 0.0153 0.0088 0.0250 ( 9493 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1768 -35.1768 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9985 -4.9985 -2.9039 -2.9039 -2.8263 -2.8263 -2.8260 -2.8260 -1.0741 -1.0741 7.6154 7.6154 8.6192 8.6192 8.7249 8.7249 9.2863 9.2863 10.2308 10.2308 10.2528 10.2528 10.3577 10.3577 k = 0.0077 0.0044 0.0125 ( 9507 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1768 -35.1768 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9986 -4.9986 -2.9040 -2.9040 -2.8262 -2.8262 -2.8261 -2.8261 -1.0780 -1.0780 7.6398 7.6398 8.7071 8.7071 8.7389 8.7389 9.2189 9.2189 10.2278 10.2278 10.2343 10.2343 10.3344 10.3344 k = 0.0000 0.0000 0.0000 ( 9505 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1768 -35.1768 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9986 -4.9986 -2.9041 -2.9041 -2.8262 -2.8262 -2.8262 -2.8262 -1.0794 -1.0794 7.6478 7.6478 8.7438 8.7438 8.7438 8.7438 9.1888 9.1888 10.2268 10.2268 10.2268 10.2268 10.3282 10.3282 k = 0.0000 0.0000 0.0000 ( 9505 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1768 -35.1768 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9986 -4.9986 -2.9041 -2.9041 -2.8262 -2.8262 -2.8262 -2.8262 -1.0794 -1.0794 7.6478 7.6478 8.7438 8.7438 8.7438 8.7438 9.1888 9.1888 10.2268 10.2268 10.2268 10.2268 10.3282 10.3282 k = 0.0125 0.0072 0.0051 ( 9499 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1768 -35.1768 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9986 -4.9986 -2.9040 -2.9040 -2.8262 -2.8262 -2.8261 -2.8261 -1.0780 -1.0780 7.6398 7.6398 8.7056 8.7056 8.7406 8.7406 9.2186 9.2186 10.2299 10.2299 10.2326 10.2326 10.3341 10.3341 k = 0.0250 0.0144 0.0102 ( 9499 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1768 -35.1768 -35.1768 -35.1768 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9985 -4.9985 -2.9039 -2.9039 -2.8263 -2.8263 -2.8260 -2.8260 -1.0741 -1.0741 7.6151 7.6151 8.6155 8.6155 8.7312 8.7312 9.2831 9.2831 10.2401 10.2401 10.2497 10.2497 10.3520 10.3520 k = 0.0375 0.0217 0.0153 ( 9493 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1767 -35.1767 -35.1767 -35.1767 -35.1704 -35.1704 -35.1704 -35.1704 -4.9986 -4.9986 -4.9984 -4.9984 -2.9037 -2.9037 -2.8264 -2.8264 -2.8258 -2.8258 -1.0675 -1.0675 7.5724 7.5724 8.5066 8.5066 8.7159 8.7159 9.3488 9.3488 10.2592 10.2592 10.2777 10.2777 10.3830 10.3830 k = 0.0500 0.0289 0.0204 ( 9492 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4647 -35.4647 -35.4586 -35.4586 -35.1767 -35.1767 -35.1767 -35.1767 -35.1704 -35.1704 -35.1704 -35.1704 -4.9985 -4.9985 -4.9983 -4.9983 -2.9035 -2.9035 -2.8266 -2.8266 -2.8254 -2.8254 -1.0583 -1.0583 7.5098 7.5098 8.3967 8.3967 8.6955 8.6955 9.3984 9.3984 10.2885 10.2885 10.3159 10.3159 10.4282 10.4282 k = 0.0625 0.0361 0.0255 ( 9498 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4586 -35.4586 -35.1767 -35.1767 -35.1767 -35.1767 -35.1705 -35.1705 -35.1705 -35.1705 -4.9985 -4.9985 -4.9981 -4.9981 -2.9032 -2.9032 -2.8269 -2.8269 -2.8250 -2.8250 -1.0465 -1.0465 7.4258 7.4258 8.2949 8.2949 8.6708 8.6708 9.4258 9.4258 10.3272 10.3272 10.3632 10.3632 10.4881 10.4881 k = 0.0750 0.0433 0.0306 ( 9501 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4586 -35.4586 -35.1767 -35.1767 -35.1767 -35.1767 -35.1705 -35.1705 -35.1705 -35.1705 -4.9984 -4.9984 -4.9978 -4.9978 -2.9028 -2.9028 -2.8272 -2.8272 -2.8245 -2.8245 -1.0321 -1.0321 7.3207 7.3207 8.2053 8.2053 8.6427 8.6427 9.4315 9.4315 10.3727 10.3727 10.4188 10.4188 10.5611 10.5611 k = 0.0875 0.0505 0.0357 ( 9501 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4587 -35.4587 -35.1766 -35.1766 -35.1766 -35.1766 -35.1705 -35.1705 -35.1705 -35.1705 -4.9984 -4.9984 -4.9976 -4.9976 -2.9023 -2.9023 -2.8276 -2.8276 -2.8240 -2.8240 -1.0151 -1.0151 7.1963 7.1963 8.1285 8.1285 8.6119 8.6119 9.4194 9.4194 10.4226 10.4226 10.4814 10.4814 10.6432 10.6432 k = 0.1000 0.0577 0.0408 ( 9513 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4646 -35.4646 -35.4587 -35.4587 -35.1766 -35.1766 -35.1766 -35.1766 -35.1706 -35.1706 -35.1705 -35.1705 -4.9983 -4.9983 -4.9973 -4.9973 -2.9018 -2.9018 -2.8280 -2.8280 -2.8233 -2.8233 -0.9955 -0.9955 7.0563 7.0563 8.0631 8.0631 8.5792 8.5792 9.3941 9.3941 10.4743 10.4743 10.5496 10.5496 10.7292 10.7292 k = 0.1125 0.0650 0.0459 ( 9516 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4645 -35.4645 -35.4588 -35.4588 -35.1766 -35.1766 -35.1766 -35.1766 -35.1706 -35.1706 -35.1706 -35.1706 -4.9982 -4.9982 -4.9969 -4.9969 -2.9013 -2.9013 -2.8285 -2.8285 -2.8226 -2.8226 -0.9733 -0.9733 6.9046 6.9046 8.0065 8.0065 8.5454 8.5454 9.3595 9.3595 10.5246 10.5246 10.6214 10.6214 10.8145 10.8145 k = 0.1250 0.0722 0.0510 ( 9504 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4645 -35.4645 -35.4588 -35.4588 -35.1765 -35.1765 -35.1765 -35.1765 -35.1707 -35.1707 -35.1706 -35.1706 -4.9982 -4.9982 -4.9966 -4.9966 -2.9006 -2.9006 -2.8290 -2.8290 -2.8217 -2.8217 -0.9486 -0.9486 6.7446 6.7446 7.9566 7.9566 8.5109 8.5109 9.3189 9.3189 10.5669 10.5669 10.6926 10.6926 10.8949 10.8949 k = 0.1375 0.0794 0.0561 ( 9516 PWs) bands (ev): -68.5083 -68.5083 -68.5073 -68.5073 -39.0684 -39.0684 -35.4644 -35.4644 -35.4589 -35.4589 -35.1765 -35.1765 -35.1765 -35.1765 -35.1707 -35.1707 -35.1707 -35.1707 -4.9981 -4.9981 -4.9962 -4.9962 -2.9000 -2.9000 -2.8296 -2.8296 -2.8209 -2.8209 -0.9213 -0.9213 6.5792 6.5792 7.9116 7.9116 8.4763 8.4763 9.2742 9.2742 10.5897 10.5897 10.7519 10.7519 10.9641 10.9641 k = 0.1500 0.0866 0.0612 ( 9522 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4644 -35.4644 -35.4589 -35.4589 -35.1764 -35.1764 -35.1764 -35.1764 -35.1708 -35.1708 -35.1707 -35.1707 -4.9980 -4.9980 -4.9957 -4.9957 -2.8993 -2.8993 -2.8302 -2.8302 -2.8199 -2.8199 -0.8916 -0.8916 6.4103 6.4103 7.8701 7.8701 8.4420 8.4420 9.2271 9.2271 10.5802 10.5802 10.7687 10.7687 10.9846 10.9846 k = 0.1625 0.0938 0.0663 ( 9522 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4643 -35.4643 -35.4590 -35.4590 -35.1764 -35.1764 -35.1764 -35.1764 -35.1708 -35.1708 -35.1708 -35.1708 -4.9979 -4.9979 -4.9953 -4.9953 -2.8986 -2.8986 -2.8309 -2.8309 -2.8189 -2.8189 -0.8594 -0.8594 6.2397 6.2397 7.8314 7.8314 8.4083 8.4083 9.1788 9.1788 10.5388 10.5388 10.7227 10.7227 11.0211 11.0211 k = 0.1750 0.1010 0.0714 ( 9522 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4643 -35.4643 -35.4590 -35.4590 -35.1763 -35.1763 -35.1763 -35.1763 -35.1709 -35.1709 -35.1709 -35.1709 -4.9978 -4.9978 -4.9948 -4.9948 -2.8978 -2.8978 -2.8316 -2.8316 -2.8179 -2.8179 -0.8248 -0.8248 6.0683 6.0683 7.7949 7.7949 8.3754 8.3754 9.1300 9.1300 10.4773 10.4773 10.6439 10.6439 11.0755 11.0755 k = 0.1875 0.1083 0.0765 ( 9528 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4642 -35.4642 -35.4591 -35.4591 -35.1762 -35.1762 -35.1762 -35.1762 -35.1710 -35.1710 -35.1709 -35.1709 -4.9977 -4.9977 -4.9943 -4.9943 -2.8971 -2.8971 -2.8323 -2.8323 -2.8168 -2.8168 -0.7878 -0.7878 5.8973 5.8973 7.7602 7.7602 8.3437 8.3437 9.0814 9.0814 10.4061 10.4061 10.5549 10.5549 11.1274 11.1274 k = 0.2000 0.1155 0.0816 ( 9540 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4641 -35.4641 -35.4592 -35.4592 -35.1762 -35.1762 -35.1762 -35.1762 -35.1710 -35.1710 -35.1710 -35.1710 -4.9976 -4.9976 -4.9938 -4.9938 -2.8963 -2.8963 -2.8331 -2.8331 -2.8157 -2.8157 -0.7485 -0.7485 5.7271 5.7271 7.7272 7.7272 8.3132 8.3132 9.0334 9.0334 10.3306 10.3306 10.4631 10.4631 11.1637 11.1637 k = 0.2125 0.1227 0.0868 ( 9537 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4641 -35.4641 -35.4592 -35.4592 -35.1761 -35.1761 -35.1761 -35.1761 -35.1711 -35.1711 -35.1711 -35.1711 -4.9974 -4.9974 -4.9933 -4.9933 -2.8955 -2.8955 -2.8338 -2.8338 -2.8145 -2.8145 -0.7070 -0.7070 5.5584 5.5584 7.6957 7.6957 8.2842 8.2842 8.9863 8.9863 10.2539 10.2539 10.3714 10.3714 11.1877 11.1877 k = 0.2250 0.1299 0.0919 ( 9540 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4640 -35.4640 -35.4593 -35.4593 -35.1760 -35.1760 -35.1760 -35.1760 -35.1712 -35.1712 -35.1712 -35.1712 -4.9973 -4.9973 -4.9928 -4.9928 -2.8947 -2.8947 -2.8347 -2.8347 -2.8133 -2.8133 -0.6634 -0.6634 5.3916 5.3916 7.6657 7.6657 8.2567 8.2567 8.9404 8.9404 10.1774 10.1774 10.2809 10.2809 11.2038 11.2038 k = 0.2375 0.1371 0.0970 ( 9531 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4639 -35.4639 -35.4594 -35.4594 -35.1759 -35.1759 -35.1759 -35.1759 -35.1713 -35.1713 -35.1713 -35.1713 -4.9972 -4.9972 -4.9923 -4.9923 -2.8939 -2.8939 -2.8355 -2.8355 -2.8121 -2.8121 -0.6177 -0.6177 5.2272 5.2272 7.6370 7.6370 8.2308 8.2308 8.8959 8.8959 10.1021 10.1021 10.1924 10.1924 11.2146 11.2146 k = 0.2500 0.1443 0.1021 ( 9516 PWs) bands (ev): -68.5082 -68.5082 -68.5074 -68.5074 -39.0684 -39.0684 -35.4638 -35.4638 -35.4595 -35.4595 -35.1759 -35.1759 -35.1758 -35.1758 -35.1714 -35.1714 -35.1713 -35.1713 -4.9971 -4.9971 -4.9918 -4.9918 -2.8931 -2.8931 -2.8363 -2.8363 -2.8109 -2.8109 -0.5700 -0.5700 5.0654 5.0654 7.6098 7.6098 8.2067 8.2067 8.8529 8.8529 10.0286 10.0286 10.1061 10.1061 11.2216 11.2216 k = 0.2625 0.1516 0.1072 ( 9525 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4637 -35.4637 -35.4596 -35.4596 -35.1758 -35.1758 -35.1758 -35.1758 -35.1715 -35.1715 -35.1714 -35.1714 -4.9970 -4.9970 -4.9913 -4.9913 -2.8923 -2.8923 -2.8372 -2.8372 -2.8097 -2.8097 -0.5206 -0.5206 4.9067 4.9067 7.5839 7.5839 8.1842 8.1842 8.8116 8.8116 9.9574 9.9574 10.0225 10.0225 11.2257 11.2257 k = 0.2750 0.1588 0.1123 ( 9522 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4636 -35.4636 -35.4597 -35.4597 -35.1757 -35.1757 -35.1757 -35.1757 -35.1716 -35.1716 -35.1715 -35.1715 -4.9969 -4.9969 -4.9908 -4.9908 -2.8915 -2.8915 -2.8380 -2.8380 -2.8085 -2.8085 -0.4695 -0.4695 4.7513 4.7513 7.5595 7.5595 8.1636 8.1636 8.7721 8.7721 9.8888 9.8888 9.9417 9.9417 11.2276 11.2276 k = 0.2875 0.1660 0.1174 ( 9522 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4635 -35.4635 -35.4598 -35.4598 -35.1756 -35.1756 -35.1756 -35.1756 -35.1717 -35.1717 -35.1716 -35.1716 -4.9968 -4.9968 -4.9903 -4.9903 -2.8908 -2.8908 -2.8389 -2.8389 -2.8073 -2.8073 -0.4169 -0.4169 4.5996 4.5996 7.5364 7.5364 8.1447 8.1447 8.7344 8.7344 9.8230 9.8230 9.8640 9.8640 11.2278 11.2278 k = 0.3000 0.1732 0.1225 ( 9528 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4635 -35.4635 -35.4599 -35.4599 -35.1755 -35.1755 -35.1755 -35.1755 -35.1718 -35.1718 -35.1717 -35.1717 -4.9966 -4.9966 -4.9898 -4.9898 -2.8901 -2.8901 -2.8397 -2.8397 -2.8061 -2.8061 -0.3631 -0.3631 4.4519 4.4519 7.5146 7.5146 8.1275 8.1275 8.6987 8.6987 9.7602 9.7602 9.7894 9.7894 11.2269 11.2269 k = 0.3125 0.1804 0.1276 ( 9522 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4634 -35.4634 -35.4600 -35.4600 -35.1754 -35.1754 -35.1754 -35.1754 -35.1719 -35.1719 -35.1718 -35.1718 -4.9965 -4.9965 -4.9894 -4.9894 -2.8893 -2.8893 -2.8406 -2.8406 -2.8049 -2.8049 -0.3082 -0.3082 4.3084 4.3084 7.4943 7.4943 8.1121 8.1121 8.6650 8.6650 9.7005 9.7005 9.7182 9.7182 11.2250 11.2250 k = 0.3250 0.1876 0.1327 ( 9531 PWs) bands (ev): -68.5081 -68.5081 -68.5075 -68.5075 -39.0684 -39.0684 -35.4633 -35.4633 -35.4601 -35.4601 -35.1753 -35.1753 -35.1753 -35.1753 -35.1720 -35.1720 -35.1719 -35.1719 -4.9964 -4.9964 -4.9889 -4.9889 -2.8887 -2.8887 -2.8414 -2.8414 -2.8038 -2.8038 -0.2526 -0.2526 4.1697 4.1697 7.4754 7.4754 8.0984 8.0984 8.6333 8.6333 9.6442 9.6442 9.6506 9.6506 11.2225 11.2225 k = 0.3375 0.1949 0.1378 ( 9531 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4632 -35.4632 -35.4602 -35.4602 -35.1752 -35.1752 -35.1751 -35.1751 -35.1721 -35.1721 -35.1720 -35.1720 -4.9963 -4.9963 -4.9885 -4.9885 -2.8880 -2.8880 -2.8421 -2.8421 -2.8028 -2.8028 -0.1967 -0.1967 4.0361 4.0361 7.4578 7.4578 8.0863 8.0863 8.6036 8.6036 9.5865 9.5865 9.5912 9.5912 11.2195 11.2195 k = 0.3500 0.2021 0.1429 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4630 -35.4630 -35.4603 -35.4603 -35.1751 -35.1751 -35.1750 -35.1750 -35.1722 -35.1722 -35.1721 -35.1721 -4.9962 -4.9962 -4.9881 -4.9881 -2.8874 -2.8874 -2.8429 -2.8429 -2.8017 -2.8017 -0.1407 -0.1407 3.9080 3.9080 7.4416 7.4416 8.0758 8.0758 8.5760 8.5760 9.5263 9.5263 9.5418 9.5418 11.2162 11.2162 k = 0.3625 0.2093 0.1480 ( 9522 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4629 -35.4629 -35.4604 -35.4604 -35.1750 -35.1750 -35.1749 -35.1749 -35.1723 -35.1723 -35.1723 -35.1723 -4.9962 -4.9962 -4.9877 -4.9877 -2.8868 -2.8868 -2.8436 -2.8436 -2.8008 -2.8008 -0.0851 -0.0851 3.7860 3.7860 7.4268 7.4268 8.0668 8.0668 8.5506 8.5506 9.4700 9.4700 9.4960 9.4960 11.2129 11.2129 k = 0.3750 0.2165 0.1531 ( 9534 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4628 -35.4628 -35.4605 -35.4605 -35.1749 -35.1749 -35.1748 -35.1748 -35.1724 -35.1724 -35.1724 -35.1724 -4.9961 -4.9961 -4.9874 -4.9874 -2.8863 -2.8863 -2.8442 -2.8442 -2.7999 -2.7999 -0.0305 -0.0305 3.6705 3.6705 7.4133 7.4133 8.0592 8.0592 8.5273 8.5273 9.4178 9.4178 9.4540 9.4540 11.2095 11.2095 k = 0.3875 0.2237 0.1582 ( 9546 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4606 -35.4606 -35.1747 -35.1747 -35.1747 -35.1747 -35.1726 -35.1726 -35.1725 -35.1725 -4.9960 -4.9960 -4.9871 -4.9871 -2.8858 -2.8858 -2.8449 -2.8449 -2.7990 -2.7990 0.0225 0.0225 3.5623 3.5623 7.4012 7.4012 8.0529 8.0529 8.5062 8.5062 9.3699 9.3699 9.4157 9.4157 11.2062 11.2062 k = 0.4000 0.2309 0.1633 ( 9534 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4626 -35.4626 -35.4607 -35.4607 -35.1746 -35.1746 -35.1746 -35.1746 -35.1727 -35.1727 -35.1726 -35.1726 -4.9959 -4.9959 -4.9868 -4.9868 -2.8854 -2.8854 -2.8454 -2.8454 -2.7982 -2.7982 0.0734 0.0734 3.4621 3.4621 7.3904 7.3904 8.0478 8.0478 8.4873 8.4873 9.3265 9.3265 9.3812 9.3812 11.2030 11.2030 k = 0.4125 0.2382 0.1684 ( 9540 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4625 -35.4625 -35.4608 -35.4608 -35.1745 -35.1745 -35.1745 -35.1745 -35.1728 -35.1728 -35.1727 -35.1727 -4.9959 -4.9959 -4.9865 -4.9865 -2.8850 -2.8850 -2.8459 -2.8459 -2.7976 -2.7976 0.1212 0.1212 3.3705 3.3705 7.3809 7.3809 8.0436 8.0436 8.4705 8.4705 9.2876 9.2876 9.3507 9.3507 11.2001 11.2001 k = 0.4250 0.2454 0.1735 ( 9522 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4624 -35.4624 -35.4610 -35.4610 -35.1744 -35.1744 -35.1743 -35.1743 -35.1729 -35.1729 -35.1729 -35.1729 -4.9958 -4.9958 -4.9863 -4.9863 -2.8847 -2.8847 -2.8464 -2.8464 -2.7969 -2.7969 0.1653 0.1653 3.2886 3.2886 7.3728 7.3728 8.0405 8.0405 8.4560 8.4560 9.2534 9.2534 9.3241 9.3241 11.1975 11.1975 k = 0.4375 0.2526 0.1786 ( 9525 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4623 -35.4623 -35.4611 -35.4611 -35.1743 -35.1743 -35.1742 -35.1742 -35.1730 -35.1730 -35.1730 -35.1730 -4.9958 -4.9958 -4.9861 -4.9861 -2.8844 -2.8844 -2.8468 -2.8468 -2.7964 -2.7964 0.2047 0.2047 3.2171 3.2171 7.3659 7.3659 8.0380 8.0380 8.4437 8.4437 9.2242 9.2242 9.3015 9.3015 11.1952 11.1952 k = 0.4500 0.2598 0.1837 ( 9531 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4612 -35.4612 -35.1742 -35.1742 -35.1741 -35.1741 -35.1732 -35.1732 -35.1731 -35.1731 -4.9957 -4.9957 -4.9859 -4.9859 -2.8841 -2.8841 -2.8471 -2.8471 -2.7960 -2.7960 0.2385 0.2385 3.1570 3.1570 7.3602 7.3602 8.0363 8.0363 8.4336 8.4336 9.2001 9.2001 9.2830 9.2830 11.1932 11.1932 k = 0.4625 0.2670 0.1888 ( 9525 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4613 -35.4613 -35.1740 -35.1740 -35.1740 -35.1740 -35.1733 -35.1733 -35.1732 -35.1732 -4.9957 -4.9957 -4.9858 -4.9858 -2.8839 -2.8839 -2.8473 -2.8473 -2.7956 -2.7956 0.2659 0.2659 3.1091 3.1091 7.3559 7.3559 8.0350 8.0350 8.4258 8.4258 9.1812 9.1812 9.2686 9.2686 11.1917 11.1917 k = 0.4750 0.2742 0.1939 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4614 -35.4614 -35.1739 -35.1739 -35.1738 -35.1738 -35.1734 -35.1734 -35.1733 -35.1733 -4.9957 -4.9957 -4.9857 -4.9857 -2.8838 -2.8838 -2.8475 -2.8475 -2.7954 -2.7954 0.2862 0.2862 3.0743 3.0743 7.3528 7.3528 8.0342 8.0342 8.4202 8.4202 9.1676 9.1676 9.2582 9.2582 11.1906 11.1906 k = 0.4875 0.2815 0.1990 ( 9540 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4615 -35.4615 -35.1738 -35.1738 -35.1737 -35.1737 -35.1735 -35.1735 -35.1735 -35.1735 -4.9957 -4.9957 -4.9856 -4.9856 -2.8837 -2.8837 -2.8476 -2.8476 -2.7953 -2.7953 0.2986 0.2986 3.0531 3.0531 7.3509 7.3509 8.0338 8.0338 8.4168 8.4168 9.1594 9.1594 9.2520 9.2520 11.1899 11.1899 k = 0.5000 0.2887 0.2041 ( 9558 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1737 -35.1737 -35.1736 -35.1736 -35.1736 -35.1736 -35.1736 -35.1736 -4.9957 -4.9957 -4.9856 -4.9856 -2.8837 -2.8837 -2.8477 -2.8477 -2.7952 -2.7952 0.3027 0.3027 3.0460 3.0460 7.3503 7.3503 8.0336 8.0336 8.4157 8.4157 9.1566 9.1566 9.2500 9.2500 11.1897 11.1897 k = 0.5000 0.2887 0.2041 ( 9558 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1737 -35.1737 -35.1736 -35.1736 -35.1736 -35.1736 -35.1736 -35.1736 -4.9957 -4.9957 -4.9856 -4.9856 -2.8837 -2.8837 -2.8477 -2.8477 -2.7952 -2.7952 0.3027 0.3027 3.0460 3.0460 7.3503 7.3503 8.0336 8.0336 8.4157 8.4157 9.1566 9.1566 9.2500 9.2500 11.1897 11.1897 k = 0.5043 0.2762 0.2112 ( 9550 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1738 -35.1738 -35.1737 -35.1737 -35.1735 -35.1735 -35.1735 -35.1735 -4.9957 -4.9957 -4.9856 -4.9856 -2.8837 -2.8837 -2.8476 -2.8476 -2.7953 -2.7953 0.3038 0.3038 3.0473 3.0473 7.3329 7.3329 7.9943 7.9943 8.4583 8.4583 9.1613 9.1613 9.2586 9.2586 11.1979 11.1979 k = 0.5086 0.2638 0.2182 ( 9529 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1739 -35.1739 -35.1738 -35.1738 -35.1734 -35.1734 -35.1734 -35.1734 -4.9956 -4.9956 -4.9856 -4.9856 -2.8836 -2.8836 -2.8475 -2.8475 -2.7954 -2.7954 0.3068 0.3068 3.0512 3.0512 7.2817 7.2817 7.9100 7.9100 8.5502 8.5502 9.1752 9.1752 9.2863 9.2863 11.2223 11.2223 k = 0.5129 0.2513 0.2252 ( 9525 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1740 -35.1740 -35.1739 -35.1739 -35.1733 -35.1733 -35.1733 -35.1733 -4.9955 -4.9955 -4.9856 -4.9856 -2.8834 -2.8834 -2.8472 -2.8472 -2.7955 -2.7955 0.3118 0.3118 3.0577 3.0577 7.1997 7.1997 7.8166 7.8166 8.6474 8.6474 9.2011 9.2011 9.3357 9.3357 11.2625 11.2625 k = 0.5172 0.2389 0.2323 ( 9517 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1741 -35.1741 -35.1741 -35.1741 -35.1732 -35.1732 -35.1732 -35.1732 -4.9954 -4.9954 -4.9856 -4.9856 -2.8833 -2.8833 -2.8469 -2.8469 -2.7958 -2.7958 0.3188 0.3188 3.0668 3.0668 7.0919 7.0919 7.7258 7.7258 8.7252 8.7252 9.2471 9.2471 9.4073 9.4073 11.3178 11.3178 k = 0.5216 0.2265 0.2393 ( 9523 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1742 -35.1742 -35.1742 -35.1742 -35.1731 -35.1731 -35.1731 -35.1731 -4.9953 -4.9953 -4.9856 -4.9856 -2.8830 -2.8830 -2.8465 -2.8465 -2.7961 -2.7961 0.3278 0.3278 3.0784 3.0784 6.9651 6.9651 7.6397 7.6397 8.7706 8.7706 9.3190 9.3190 9.5003 9.5003 11.3872 11.3872 k = 0.5259 0.2140 0.2464 ( 9521 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1743 -35.1743 -35.1743 -35.1743 -35.1730 -35.1730 -35.1730 -35.1730 -4.9951 -4.9951 -4.9856 -4.9856 -2.8828 -2.8828 -2.8460 -2.8460 -2.7964 -2.7964 0.3388 0.3388 3.0926 3.0926 6.8252 6.8252 7.5571 7.5571 8.7846 8.7846 9.4128 9.4128 9.6136 9.6136 11.4700 11.4700 k = 0.5302 0.2016 0.2534 ( 9531 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1744 -35.1744 -35.1744 -35.1744 -35.1729 -35.1729 -35.1728 -35.1728 -4.9949 -4.9949 -4.9855 -4.9855 -2.8825 -2.8825 -2.8454 -2.8454 -2.7969 -2.7969 0.3516 0.3516 3.1093 3.1093 6.6772 6.6772 7.4770 7.4770 8.7761 8.7761 9.5194 9.5194 9.7443 9.7443 11.5650 11.5650 k = 0.5345 0.1891 0.2604 ( 9523 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1745 -35.1745 -35.1745 -35.1745 -35.1728 -35.1728 -35.1727 -35.1727 -4.9947 -4.9947 -4.9855 -4.9855 -2.8822 -2.8822 -2.8447 -2.8447 -2.7973 -2.7973 0.3664 0.3664 3.1285 3.1285 6.5243 6.5243 7.3987 7.3987 8.7536 8.7536 9.6326 9.6326 9.8881 9.8881 11.6715 11.6715 k = 0.5388 0.1767 0.2675 ( 9519 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1746 -35.1746 -35.1746 -35.1746 -35.1727 -35.1727 -35.1726 -35.1726 -4.9945 -4.9945 -4.9855 -4.9855 -2.8818 -2.8818 -2.8439 -2.8439 -2.7978 -2.7978 0.3830 0.3830 3.1502 3.1502 6.3689 6.3689 7.3218 7.3218 8.7224 8.7224 9.7502 9.7502 10.0405 10.0405 11.7884 11.7884 k = 0.5431 0.1642 0.2745 ( 9513 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1747 -35.1747 -35.1747 -35.1747 -35.1726 -35.1726 -35.1725 -35.1725 -4.9943 -4.9943 -4.9854 -4.9854 -2.8815 -2.8815 -2.8430 -2.8430 -2.7984 -2.7984 0.4013 0.4013 3.1742 3.1742 6.2128 6.2128 7.2461 7.2461 8.6859 8.6859 9.8715 9.8715 10.1974 10.1974 11.9148 11.9148 k = 0.5474 0.1518 0.2816 ( 9514 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1749 -35.1749 -35.1748 -35.1748 -35.1725 -35.1725 -35.1724 -35.1724 -4.9940 -4.9940 -4.9854 -4.9854 -2.8811 -2.8811 -2.8421 -2.8421 -2.7990 -2.7990 0.4214 0.4214 3.2005 3.2005 6.0570 6.0570 7.1719 7.1719 8.6462 8.6462 9.9961 9.9961 10.3561 10.3561 12.0491 12.0491 k = 0.5517 0.1394 0.2886 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1750 -35.1750 -35.1749 -35.1749 -35.1724 -35.1724 -35.1723 -35.1723 -4.9938 -4.9938 -4.9853 -4.9853 -2.8808 -2.8808 -2.8411 -2.8411 -2.7996 -2.7996 0.4431 0.4431 3.2291 3.2291 5.9026 5.9026 7.0992 7.0992 8.6047 8.6047 10.1241 10.1241 10.5140 10.5140 12.1888 12.1888 k = 0.5560 0.1269 0.2956 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1751 -35.1751 -35.1749 -35.1749 -35.1723 -35.1723 -35.1722 -35.1722 -4.9935 -4.9935 -4.9852 -4.9852 -2.8805 -2.8805 -2.8400 -2.8400 -2.8003 -2.8003 0.4664 0.4664 3.2598 3.2598 5.7502 5.7502 7.0282 7.0282 8.5623 8.5623 10.2551 10.2551 10.6692 10.6692 12.3259 12.3259 k = 0.5603 0.1145 0.3027 ( 9516 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1752 -35.1752 -35.1750 -35.1750 -35.1722 -35.1722 -35.1721 -35.1721 -4.9933 -4.9933 -4.9851 -4.9851 -2.8802 -2.8802 -2.8388 -2.8388 -2.8009 -2.8009 0.4911 0.4911 3.2925 3.2925 5.6004 5.6004 6.9590 6.9590 8.5197 8.5197 10.3890 10.3890 10.8196 10.8196 12.4223 12.4223 k = 0.5647 0.1020 0.3097 ( 9513 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1753 -35.1753 -35.1751 -35.1751 -35.1721 -35.1721 -35.1720 -35.1720 -4.9930 -4.9930 -4.9850 -4.9850 -2.8799 -2.8799 -2.8376 -2.8376 -2.8015 -2.8015 0.5171 0.5171 3.3270 3.3270 5.4540 5.4540 6.8919 6.8919 8.4775 8.4775 10.5255 10.5255 10.9620 10.9620 12.3913 12.3913 k = 0.5690 0.0896 0.3167 ( 9518 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1754 -35.1754 -35.1752 -35.1752 -35.1721 -35.1721 -35.1719 -35.1719 -4.9928 -4.9928 -4.9849 -4.9849 -2.8796 -2.8796 -2.8364 -2.8364 -2.8022 -2.8022 0.5442 0.5442 3.3632 3.3632 5.3115 5.3115 6.8268 6.8268 8.4360 8.4360 10.6643 10.6643 11.0919 11.0919 12.3009 12.3009 k = 0.5733 0.0771 0.3238 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1755 -35.1755 -35.1752 -35.1752 -35.1720 -35.1720 -35.1718 -35.1718 -4.9926 -4.9926 -4.9848 -4.9848 -2.8794 -2.8794 -2.8352 -2.8352 -2.8028 -2.8028 0.5723 0.5723 3.4008 3.4008 5.1735 5.1735 6.7639 6.7639 8.3956 8.3956 10.8050 10.8050 11.2016 11.2016 12.2159 12.2159 k = 0.5776 0.0647 0.3308 ( 9517 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1755 -35.1755 -35.1753 -35.1753 -35.1719 -35.1719 -35.1717 -35.1717 -4.9924 -4.9924 -4.9847 -4.9847 -2.8793 -2.8793 -2.8339 -2.8339 -2.8033 -2.8033 0.6012 0.6012 3.4393 3.4393 5.0408 5.0408 6.7035 6.7035 8.3564 8.3564 10.9471 10.9471 11.2788 11.2788 12.1594 12.1594 k = 0.5819 0.0523 0.3379 ( 9513 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1756 -35.1756 -35.1754 -35.1754 -35.1719 -35.1719 -35.1716 -35.1716 -4.9922 -4.9922 -4.9845 -4.9845 -2.8791 -2.8791 -2.8327 -2.8327 -2.8038 -2.8038 0.6306 0.6306 3.4782 3.4782 4.9143 4.9143 6.6454 6.6454 8.3187 8.3187 11.0886 11.0886 11.3109 11.3109 12.1481 12.1481 k = 0.5862 0.0398 0.3449 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1757 -35.1757 -35.1754 -35.1754 -35.1718 -35.1718 -35.1715 -35.1715 -4.9921 -4.9921 -4.9843 -4.9843 -2.8790 -2.8790 -2.8316 -2.8316 -2.8043 -2.8043 0.6602 0.6602 3.5169 3.5169 4.7950 4.7950 6.5899 6.5899 8.2827 8.2827 11.2136 11.2136 11.3089 11.3089 12.1870 12.1870 k = 0.5905 0.0274 0.3519 ( 9520 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1758 -35.1758 -35.1754 -35.1754 -35.1718 -35.1718 -35.1715 -35.1715 -4.9919 -4.9919 -4.9842 -4.9842 -2.8790 -2.8790 -2.8305 -2.8305 -2.8047 -2.8047 0.6898 0.6898 3.5542 3.5542 4.6844 4.6844 6.5370 6.5370 8.2484 8.2484 11.2042 11.2042 11.4010 11.4010 12.2656 12.2656 k = 0.5948 0.0149 0.3590 ( 9526 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1759 -35.1759 -35.1755 -35.1755 -35.1718 -35.1718 -35.1714 -35.1714 -4.9918 -4.9918 -4.9840 -4.9840 -2.8790 -2.8790 -2.8295 -2.8295 -2.8049 -2.8049 0.7189 0.7189 3.5887 3.5887 4.5843 4.5843 6.4867 6.4867 8.2161 8.2161 11.1203 11.1203 11.5420 11.5420 12.3677 12.3677 k = 0.5991 0.0025 0.3660 ( 9528 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1760 -35.1760 -35.1755 -35.1755 -35.1717 -35.1717 -35.1713 -35.1713 -4.9918 -4.9918 -4.9838 -4.9838 -2.8790 -2.8790 -2.8285 -2.8285 -2.8051 -2.8051 0.7472 0.7472 3.6183 3.6183 4.4975 4.4975 6.4392 6.4392 8.1857 8.1857 11.0181 11.0181 11.6862 11.6862 12.4811 12.4811 k = 0.6034-0.0100 0.3731 ( 9520 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4620 -35.4620 -35.4615 -35.4615 -35.1761 -35.1761 -35.1755 -35.1755 -35.1717 -35.1717 -35.1712 -35.1712 -4.9917 -4.9917 -4.9836 -4.9836 -2.8790 -2.8790 -2.8278 -2.8278 -2.8051 -2.8051 0.7741 0.7741 3.6403 3.6403 4.4269 4.4269 6.3945 6.3945 8.1574 8.1574 10.9074 10.9074 11.8291 11.8291 12.5976 12.5976 k = 0.6078-0.0224 0.3801 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1761 -35.1761 -35.1756 -35.1756 -35.1717 -35.1717 -35.1711 -35.1711 -4.9917 -4.9917 -4.9834 -4.9834 -2.8791 -2.8791 -2.8271 -2.8271 -2.8050 -2.8050 0.7992 0.7992 3.6518 3.6518 4.3762 4.3762 6.3526 6.3526 8.1311 8.1311 10.7927 10.7927 11.9680 11.9680 12.7115 12.7115 k = 0.6121-0.0348 0.3871 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1762 -35.1762 -35.1756 -35.1756 -35.1717 -35.1717 -35.1711 -35.1711 -4.9917 -4.9917 -4.9832 -4.9832 -2.8793 -2.8793 -2.8266 -2.8266 -2.8048 -2.8048 0.8218 0.8218 3.6508 3.6508 4.3479 4.3479 6.3137 6.3137 8.1071 8.1071 10.6761 10.6761 12.0995 12.0995 12.8187 12.8187 k = 0.6164-0.0473 0.3942 ( 9532 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1763 -35.1763 -35.1756 -35.1756 -35.1717 -35.1717 -35.1710 -35.1710 -4.9917 -4.9917 -4.9830 -4.9830 -2.8795 -2.8795 -2.8262 -2.8262 -2.8045 -2.8045 0.8414 0.8414 3.6374 3.6374 4.3423 4.3423 6.2776 6.2776 8.0853 8.0853 10.5592 10.5592 12.2191 12.2191 12.9170 12.9170 k = 0.6207-0.0597 0.4012 ( 9536 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1709 -35.1709 -4.9917 -4.9917 -4.9829 -4.9829 -2.8797 -2.8797 -2.8259 -2.8259 -2.8041 -2.8041 0.8573 0.8573 3.6146 3.6146 4.3573 4.3573 6.2446 6.2446 8.0657 8.0657 10.4429 10.4429 12.3209 12.3209 13.0087 13.0087 k = 0.6250-0.0722 0.4082 ( 9547 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1708 -35.1708 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8258 -2.8258 -2.8037 -2.8037 0.8688 0.8688 3.5869 3.5869 4.3889 4.3889 6.2146 6.2146 8.0484 8.0484 10.3277 10.3277 12.3997 12.3997 13.0983 13.0983 k = 0.6250-0.0722 0.4082 ( 9547 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1708 -35.1708 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8258 -2.8258 -2.8037 -2.8037 0.8688 0.8688 3.5869 3.5869 4.3889 4.3889 6.2146 6.2146 8.0484 8.0484 10.3277 10.3277 12.3997 12.3997 13.0983 13.0983 k = 0.6176-0.0679 0.4203 ( 9533 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1708 -35.1708 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8257 -2.8257 -2.8037 -2.8037 0.8693 0.8693 3.5883 3.5883 4.3888 4.3888 6.2022 6.2022 8.0648 8.0648 10.3288 10.3288 12.3713 12.3713 13.0749 13.0749 k = 0.6103-0.0637 0.4323 ( 9538 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1709 -35.1709 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8256 -2.8256 -2.8039 -2.8039 0.8707 0.8707 3.5926 3.5926 4.3885 4.3885 6.1663 6.1663 8.1123 8.1123 10.3320 10.3320 12.2971 12.2971 13.0028 13.0028 k = 0.6029-0.0594 0.4443 ( 9542 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1709 -35.1709 -4.9917 -4.9917 -4.9827 -4.9827 -2.8798 -2.8798 -2.8254 -2.8254 -2.8041 -2.8041 0.8730 0.8730 3.5997 3.5997 4.3879 4.3879 6.1107 6.1107 8.1874 8.1874 10.3375 10.3375 12.1964 12.1964 12.8999 12.8999 k = 0.5956-0.0552 0.4563 ( 9532 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1709 -35.1709 -4.9917 -4.9917 -4.9828 -4.9828 -2.8797 -2.8797 -2.8251 -2.8251 -2.8045 -2.8045 0.8762 0.8762 3.6095 3.6095 4.3867 4.3867 6.0403 6.0403 8.2853 8.2853 10.3451 10.3451 12.0826 12.0826 12.7792 12.7792 k = 0.5882-0.0509 0.4683 ( 9533 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1716 -35.1716 -35.1709 -35.1709 -4.9916 -4.9916 -4.9828 -4.9828 -2.8796 -2.8796 -2.8247 -2.8247 -2.8049 -2.8049 0.8802 0.8802 3.6221 3.6221 4.3847 4.3847 5.9600 5.9600 8.4012 8.4012 10.3551 10.3551 11.9628 11.9628 12.6485 12.6485 k = 0.5809-0.0467 0.4803 ( 9526 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4614 -35.4614 -35.1764 -35.1764 -35.1756 -35.1756 -35.1716 -35.1716 -35.1709 -35.1709 -4.9915 -4.9915 -4.9829 -4.9829 -2.8795 -2.8795 -2.8243 -2.8243 -2.8055 -2.8055 0.8849 0.8849 3.6375 3.6375 4.3814 4.3814 5.8742 5.8742 8.5309 8.5309 10.3675 10.3675 11.8409 11.8409 12.5124 12.5124 k = 0.5735-0.0425 0.4923 ( 9530 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4614 -35.4614 -35.1764 -35.1764 -35.1756 -35.1756 -35.1716 -35.1716 -35.1709 -35.1709 -4.9914 -4.9914 -4.9829 -4.9829 -2.8793 -2.8793 -2.8237 -2.8237 -2.8061 -2.8061 0.8903 0.8903 3.6554 3.6554 4.3764 4.3764 5.7867 5.7867 8.6708 8.6708 10.3825 10.3825 11.7192 11.7192 12.3736 12.3736 k = 0.5662-0.0382 0.5043 ( 9518 PWs) bands (ev): -68.5078 -68.5078 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1763 -35.1763 -35.1757 -35.1757 -35.1716 -35.1716 -35.1709 -35.1709 -4.9913 -4.9913 -4.9830 -4.9830 -2.8792 -2.8792 -2.8231 -2.8231 -2.8068 -2.8068 0.8961 0.8961 3.6758 3.6758 4.3690 4.3690 5.7006 5.7006 8.8178 8.8178 10.4003 10.4003 11.5994 11.5994 12.2338 12.2338 k = 0.5588-0.0340 0.5163 ( 9510 PWs) bands (ev): -68.5078 -68.5078 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1763 -35.1763 -35.1757 -35.1757 -35.1715 -35.1715 -35.1709 -35.1709 -4.9911 -4.9911 -4.9830 -4.9830 -2.8790 -2.8790 -2.8225 -2.8225 -2.8075 -2.8075 0.9024 0.9024 3.6987 3.6987 4.3585 4.3585 5.6185 5.6185 8.9691 8.9691 10.4214 10.4214 11.4829 11.4829 12.0940 12.0940 k = 0.5515-0.0297 0.5283 ( 9510 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1763 -35.1763 -35.1757 -35.1757 -35.1715 -35.1715 -35.1710 -35.1710 -4.9910 -4.9910 -4.9831 -4.9831 -2.8789 -2.8789 -2.8217 -2.8217 -2.8083 -2.8083 0.9088 0.9088 3.7236 3.7236 4.3445 4.3445 5.5429 5.5429 9.1217 9.1217 10.4466 10.4466 11.3710 11.3710 11.9549 11.9549 k = 0.5441-0.0255 0.5403 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1763 -35.1763 -35.1758 -35.1758 -35.1715 -35.1715 -35.1710 -35.1710 -4.9909 -4.9909 -4.9832 -4.9832 -2.8788 -2.8788 -2.8209 -2.8209 -2.8092 -2.8092 0.9153 0.9153 3.7504 3.7504 4.3265 4.3265 5.4756 5.4756 9.2721 9.2721 10.4769 10.4769 11.2653 11.2653 11.8170 11.8170 k = 0.5368-0.0212 0.5523 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1762 -35.1762 -35.1758 -35.1758 -35.1714 -35.1714 -35.1710 -35.1710 -4.9908 -4.9908 -4.9832 -4.9832 -2.8786 -2.8786 -2.8201 -2.8201 -2.8102 -2.8102 0.9215 0.9215 3.7784 3.7784 4.3044 4.3044 5.4181 5.4181 9.4159 9.4159 10.5142 10.5142 11.1678 11.1678 11.6807 11.6807 k = 0.5294-0.0170 0.5643 ( 9526 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1762 -35.1762 -35.1758 -35.1758 -35.1714 -35.1714 -35.1711 -35.1711 -4.9907 -4.9907 -4.9833 -4.9833 -2.8785 -2.8785 -2.8192 -2.8192 -2.8111 -2.8111 0.9273 0.9273 3.8069 3.8069 4.2789 4.2789 5.3715 5.3715 9.5472 9.5472 10.5610 10.5610 11.0813 11.0813 11.5464 11.5464 k = 0.5221-0.0127 0.5764 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1762 -35.1762 -35.1759 -35.1759 -35.1714 -35.1714 -35.1711 -35.1711 -4.9906 -4.9906 -4.9833 -4.9833 -2.8784 -2.8784 -2.8182 -2.8182 -2.8121 -2.8121 0.9324 0.9324 3.8346 3.8346 4.2517 4.2517 5.3361 5.3361 9.6584 9.6584 10.6199 10.6199 11.0102 11.0102 11.4145 11.4145 k = 0.5147-0.0085 0.5884 ( 9519 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1761 -35.1761 -35.1759 -35.1759 -35.1713 -35.1713 -35.1711 -35.1711 -4.9906 -4.9906 -4.9833 -4.9833 -2.8783 -2.8783 -2.8173 -2.8173 -2.8132 -2.8132 0.9364 0.9364 3.8590 3.8590 4.2259 4.2259 5.3118 5.3118 9.7418 9.7418 10.6891 10.6891 10.9631 10.9631 11.2858 11.2858 k = 0.5074-0.0042 0.6004 ( 9523 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4617 -35.4617 -35.1761 -35.1761 -35.1760 -35.1760 -35.1713 -35.1713 -35.1712 -35.1712 -4.9905 -4.9905 -4.9834 -4.9834 -2.8783 -2.8783 -2.8163 -2.8163 -2.8142 -2.8142 0.9391 0.9391 3.8768 3.8768 4.2063 4.2063 5.2979 5.2979 9.7918 9.7918 10.7501 10.7501 10.9623 10.9623 11.1617 11.1617 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1761 -35.1761 -35.1760 -35.1760 -35.1712 -35.1712 -35.1712 -35.1712 -4.9905 -4.9905 -4.9834 -4.9834 -2.8783 -2.8783 -2.8154 -2.8154 -2.8151 -2.8151 0.9401 0.9401 3.8835 3.8835 4.1986 4.1986 5.2935 5.2935 9.8077 9.8077 10.7702 10.7702 11.0209 11.0209 11.0624 11.0624 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1761 -35.1761 -35.1760 -35.1760 -35.1712 -35.1712 -35.1712 -35.1712 -4.9905 -4.9905 -4.9834 -4.9834 -2.8783 -2.8783 -2.8154 -2.8154 -2.8151 -2.8151 0.9401 0.9401 3.8835 3.8835 4.1986 4.1986 5.2935 5.2935 9.8077 9.8077 10.7702 10.7702 11.0209 11.0209 11.0624 11.0624 k = 0.5000 0.0087 0.6000 ( 9520 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1761 -35.1761 -35.1760 -35.1760 -35.1712 -35.1712 -35.1712 -35.1712 -4.9905 -4.9905 -4.9834 -4.9834 -2.8783 -2.8783 -2.8161 -2.8161 -2.8144 -2.8144 0.9379 0.9379 3.8837 3.8837 4.1987 4.1987 5.3006 5.3006 9.8030 9.8030 10.7462 10.7462 11.0197 11.0197 11.0970 11.0970 k = 0.5000 0.0175 0.5876 ( 9518 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1761 -35.1761 -35.1760 -35.1760 -35.1713 -35.1713 -35.1712 -35.1712 -4.9905 -4.9905 -4.9834 -4.9834 -2.8782 -2.8782 -2.8170 -2.8170 -2.8136 -2.8136 0.9316 0.9316 3.8836 3.8836 4.2001 4.2001 5.3216 5.3216 9.7891 9.7891 10.6889 10.6889 11.0344 11.0344 11.1674 11.1674 k = 0.5000 0.0262 0.5753 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1760 -35.1760 -35.1760 -35.1760 -35.1713 -35.1713 -35.1712 -35.1712 -4.9906 -4.9906 -4.9834 -4.9834 -2.8783 -2.8783 -2.8180 -2.8180 -2.8128 -2.8128 0.9211 0.9211 3.8806 3.8806 4.2061 4.2061 5.3555 5.3555 9.7671 9.7671 10.6175 10.6175 11.0663 11.0663 11.2520 11.2520 k = 0.5000 0.0350 0.5629 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1760 -35.1760 -35.1759 -35.1759 -35.1713 -35.1713 -35.1713 -35.1713 -4.9906 -4.9906 -4.9835 -4.9835 -2.8783 -2.8783 -2.8190 -2.8190 -2.8120 -2.8120 0.9069 0.9069 3.8718 3.8718 4.2208 4.2208 5.4008 5.4008 9.7382 9.7382 10.5413 10.5413 11.1116 11.1116 11.3439 11.3439 k = 0.5000 0.0437 0.5505 ( 9526 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1760 -35.1760 -35.1759 -35.1759 -35.1713 -35.1713 -35.1713 -35.1713 -4.9907 -4.9907 -4.9836 -4.9836 -2.8783 -2.8783 -2.8201 -2.8201 -2.8113 -2.8113 0.8891 0.8891 3.8549 3.8549 4.2476 4.2476 5.4562 5.4562 9.7039 9.7039 10.4640 10.4640 11.1679 11.1679 11.4402 11.4402 k = 0.5000 0.0525 0.5381 ( 9528 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1760 -35.1760 -35.1759 -35.1759 -35.1713 -35.1713 -35.1713 -35.1713 -4.9908 -4.9908 -4.9837 -4.9837 -2.8783 -2.8783 -2.8213 -2.8213 -2.8106 -2.8106 0.8683 0.8683 3.8297 3.8297 4.2877 4.2877 5.5200 5.5200 9.6657 9.6657 10.3872 10.3872 11.2334 11.2334 11.5396 11.5396 k = 0.5000 0.0612 0.5258 ( 9528 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1759 -35.1759 -35.1758 -35.1758 -35.1714 -35.1714 -35.1713 -35.1713 -4.9908 -4.9908 -4.9838 -4.9838 -2.8783 -2.8783 -2.8224 -2.8224 -2.8099 -2.8099 0.8447 0.8447 3.7974 3.7974 4.3409 4.3409 5.5910 5.5910 9.6247 9.6247 10.3116 10.3116 11.3067 11.3067 11.6412 11.6412 k = 0.5000 0.0700 0.5134 ( 9532 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1759 -35.1759 -35.1758 -35.1758 -35.1714 -35.1714 -35.1714 -35.1714 -4.9909 -4.9909 -4.9839 -4.9839 -2.8783 -2.8783 -2.8237 -2.8237 -2.8092 -2.8092 0.8189 0.8189 3.7599 3.7599 4.4057 4.4057 5.6681 5.6681 9.5819 9.5819 10.2377 10.2377 11.3863 11.3863 11.7443 11.7443 k = 0.5000 0.0787 0.5010 ( 9528 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1759 -35.1759 -35.1758 -35.1758 -35.1715 -35.1715 -35.1714 -35.1714 -4.9911 -4.9911 -4.9840 -4.9840 -2.8784 -2.8784 -2.8250 -2.8250 -2.8085 -2.8085 0.7913 0.7913 3.7188 3.7188 4.4810 4.4810 5.7504 5.7504 9.5382 9.5382 10.1657 10.1657 11.4710 11.4710 11.8482 11.8482 k = 0.5000 0.0875 0.4887 ( 9530 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1758 -35.1758 -35.1757 -35.1757 -35.1715 -35.1715 -35.1715 -35.1715 -4.9912 -4.9912 -4.9841 -4.9841 -2.8784 -2.8784 -2.8263 -2.8263 -2.8077 -2.8077 0.7623 0.7623 3.6755 3.6755 4.5656 4.5656 5.8370 5.8370 9.4942 9.4942 10.0959 10.0959 11.5598 11.5598 11.9522 11.9522 k = 0.5000 0.0962 0.4763 ( 9518 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1757 -35.1757 -35.1757 -35.1757 -35.1716 -35.1716 -35.1715 -35.1715 -4.9914 -4.9914 -4.9843 -4.9843 -2.8785 -2.8785 -2.8276 -2.8276 -2.8070 -2.8070 0.7324 0.7324 3.6311 3.6311 4.6585 4.6585 5.9273 5.9273 9.4503 9.4503 10.0283 10.0283 11.6510 11.6510 12.0546 12.0546 k = 0.5000 0.1050 0.4639 ( 9530 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1757 -35.1757 -35.1756 -35.1756 -35.1716 -35.1716 -35.1716 -35.1716 -4.9915 -4.9915 -4.9844 -4.9844 -2.8786 -2.8786 -2.8290 -2.8290 -2.8063 -2.8063 0.7018 0.7018 3.5864 3.5864 4.7590 4.7590 6.0209 6.0209 9.4070 9.4070 9.9630 9.9630 11.7421 11.7421 12.1528 12.1528 k = 0.5000 0.1137 0.4515 ( 9532 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1756 -35.1756 -35.1755 -35.1755 -35.1717 -35.1717 -35.1717 -35.1717 -4.9917 -4.9917 -4.9845 -4.9845 -2.8787 -2.8787 -2.8304 -2.8304 -2.8056 -2.8056 0.6710 0.6710 3.5419 3.5419 4.8663 4.8663 6.1172 6.1172 9.3647 9.3647 9.9001 9.9001 11.8282 11.8282 12.2410 12.2410 k = 0.5000 0.1225 0.4392 ( 9530 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1756 -35.1756 -35.1755 -35.1755 -35.1718 -35.1718 -35.1717 -35.1717 -4.9919 -4.9919 -4.9846 -4.9846 -2.8789 -2.8789 -2.8318 -2.8318 -2.8048 -2.8048 0.6403 0.6403 3.4981 3.4981 4.9801 4.9801 6.2157 6.2157 9.3234 9.3234 9.8395 9.8395 11.8965 11.8965 12.3056 12.3056 k = 0.5000 0.1312 0.4268 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1755 -35.1755 -35.1754 -35.1754 -35.1718 -35.1718 -35.1718 -35.1718 -4.9922 -4.9922 -4.9848 -4.9848 -2.8791 -2.8791 -2.8332 -2.8332 -2.8041 -2.8041 0.6099 0.6099 3.4554 3.4554 5.0997 5.0997 6.3162 6.3162 9.2833 9.2833 9.7814 9.7814 11.9145 11.9145 12.3340 12.3340 k = 0.5000 0.1400 0.4144 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1754 -35.1754 -35.1753 -35.1753 -35.1719 -35.1719 -35.1719 -35.1719 -4.9924 -4.9924 -4.9849 -4.9849 -2.8793 -2.8793 -2.8346 -2.8346 -2.8033 -2.8033 0.5801 0.5801 3.4141 3.4141 5.2247 5.2247 6.4182 6.4182 9.2447 9.2447 9.7258 9.7258 11.8395 11.8395 12.3650 12.3650 k = 0.5000 0.1487 0.4021 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1753 -35.1753 -35.1752 -35.1752 -35.1720 -35.1720 -35.1720 -35.1720 -4.9927 -4.9927 -4.9850 -4.9850 -2.8795 -2.8795 -2.8359 -2.8359 -2.8026 -2.8026 0.5512 0.5512 3.3744 3.3744 5.3546 5.3546 6.5214 6.5214 9.2075 9.2075 9.6725 9.6725 11.6866 11.6866 12.4265 12.4265 k = 0.5000 0.1575 0.3897 ( 9528 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1752 -35.1752 -35.1752 -35.1752 -35.1721 -35.1721 -35.1720 -35.1720 -4.9929 -4.9929 -4.9851 -4.9851 -2.8798 -2.8798 -2.8372 -2.8372 -2.8019 -2.8019 0.5232 0.5232 3.3364 3.3364 5.4892 5.4892 6.6254 6.6254 9.1717 9.1717 9.6217 9.6217 11.4975 11.4975 12.4709 12.4709 k = 0.5000 0.1662 0.3773 ( 9534 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1751 -35.1751 -35.1751 -35.1751 -35.1722 -35.1722 -35.1721 -35.1721 -4.9932 -4.9932 -4.9852 -4.9852 -2.8801 -2.8801 -2.8385 -2.8385 -2.8012 -2.8012 0.4965 0.4965 3.3004 3.3004 5.6279 5.6279 6.7298 6.7298 9.1374 9.1374 9.5733 9.5733 11.2939 11.2939 12.4171 12.4171 k = 0.5000 0.1750 0.3649 ( 9532 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4617 -35.4617 -35.1751 -35.1751 -35.1750 -35.1750 -35.1722 -35.1722 -35.1722 -35.1722 -4.9935 -4.9935 -4.9852 -4.9852 -2.8804 -2.8804 -2.8397 -2.8397 -2.8005 -2.8005 0.4711 0.4711 3.2665 3.2665 5.7704 5.7704 6.8342 6.8342 9.1044 9.1044 9.5272 9.5272 11.0848 11.0848 12.3043 12.3043 k = 0.5000 0.1837 0.3526 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1750 -35.1750 -35.1749 -35.1749 -35.1723 -35.1723 -35.1723 -35.1723 -4.9937 -4.9937 -4.9853 -4.9853 -2.8807 -2.8807 -2.8408 -2.8408 -2.7998 -2.7998 0.4472 0.4472 3.2347 3.2347 5.9162 5.9162 6.9383 6.9383 9.0725 9.0725 9.4836 9.4836 10.8744 10.8744 12.1761 12.1761 k = 0.5000 0.1925 0.3402 ( 9532 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1749 -35.1749 -35.1748 -35.1748 -35.1724 -35.1724 -35.1724 -35.1724 -4.9940 -4.9940 -4.9854 -4.9854 -2.8811 -2.8811 -2.8419 -2.8419 -2.7991 -2.7991 0.4249 0.4249 3.2052 3.2052 6.0648 6.0648 7.0415 7.0415 9.0415 9.0415 9.4422 9.4422 10.6651 10.6651 12.0453 12.0453 k = 0.5000 0.2012 0.3278 ( 9526 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1748 -35.1748 -35.1747 -35.1747 -35.1725 -35.1725 -35.1725 -35.1725 -4.9942 -4.9942 -4.9854 -4.9854 -2.8814 -2.8814 -2.8429 -2.8429 -2.7985 -2.7985 0.4042 0.4042 3.1780 3.1780 6.2155 6.2155 7.1435 7.1435 9.0109 9.0109 9.4031 9.4031 10.4588 10.4588 11.9172 11.9172 k = 0.5000 0.2099 0.3155 ( 9528 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1747 -35.1747 -35.1746 -35.1746 -35.1726 -35.1726 -35.1726 -35.1726 -4.9945 -4.9945 -4.9855 -4.9855 -2.8818 -2.8818 -2.8438 -2.8438 -2.7979 -2.7979 0.3853 0.3853 3.1533 3.1533 6.3675 6.3675 7.2437 7.2437 8.9799 8.9799 9.3663 9.3663 10.2573 10.2573 11.7944 11.7944 k = 0.5000 0.2187 0.3031 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1745 -35.1745 -35.1745 -35.1745 -35.1727 -35.1727 -35.1727 -35.1727 -4.9947 -4.9947 -4.9855 -4.9855 -2.8821 -2.8821 -2.8446 -2.8446 -2.7974 -2.7974 0.3683 0.3683 3.1310 3.1310 6.5197 6.5197 7.3419 7.3419 8.9473 8.9473 9.3318 9.3318 10.0627 10.0627 11.6790 11.6790 k = 0.5000 0.2274 0.2907 ( 9526 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1744 -35.1744 -35.1744 -35.1744 -35.1729 -35.1729 -35.1728 -35.1728 -4.9949 -4.9949 -4.9855 -4.9855 -2.8824 -2.8824 -2.8453 -2.8453 -2.7969 -2.7969 0.3531 0.3531 3.1112 3.1112 6.6706 6.6706 7.4378 7.4378 8.9112 8.9112 9.2995 9.2995 9.8779 9.8779 11.5726 11.5726 k = 0.5000 0.2362 0.2784 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1743 -35.1743 -35.1743 -35.1743 -35.1730 -35.1730 -35.1729 -35.1729 -4.9951 -4.9951 -4.9856 -4.9856 -2.8827 -2.8827 -2.8459 -2.8459 -2.7965 -2.7965 0.3398 0.3398 3.0940 3.0940 6.8177 6.8177 7.5316 7.5316 8.8683 8.8683 9.2696 9.2696 9.7073 9.7073 11.4766 11.4766 k = 0.5000 0.2449 0.2660 ( 9518 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1742 -35.1742 -35.1742 -35.1742 -35.1731 -35.1731 -35.1731 -35.1731 -4.9953 -4.9953 -4.9856 -4.9856 -2.8830 -2.8830 -2.8465 -2.8465 -2.7961 -2.7961 0.3286 0.3286 3.0794 3.0794 6.9578 6.9578 7.6241 7.6241 8.8142 8.8142 9.2420 9.2420 9.5568 9.5568 11.3924 11.3924 k = 0.5000 0.2537 0.2536 ( 9514 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1741 -35.1741 -35.1741 -35.1741 -35.1732 -35.1732 -35.1732 -35.1732 -4.9954 -4.9954 -4.9856 -4.9856 -2.8833 -2.8833 -2.8469 -2.8469 -2.7958 -2.7958 0.3193 0.3193 3.0674 3.0674 7.0860 7.0860 7.7169 7.7169 8.7437 8.7437 9.2167 9.2167 9.4341 9.4341 11.3214 11.3214 k = 0.5000 0.2624 0.2412 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1740 -35.1740 -35.1740 -35.1740 -35.1733 -35.1733 -35.1733 -35.1733 -4.9955 -4.9955 -4.9856 -4.9856 -2.8834 -2.8834 -2.8472 -2.8472 -2.7955 -2.7955 0.3121 0.3121 3.0580 3.0580 7.1957 7.1957 7.8114 7.8114 8.6547 8.6547 9.1940 9.1940 9.3446 9.3446 11.2646 11.2646 k = 0.5000 0.2712 0.2289 ( 9532 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1739 -35.1739 -35.1738 -35.1738 -35.1734 -35.1734 -35.1734 -35.1734 -4.9956 -4.9956 -4.9856 -4.9856 -2.8836 -2.8836 -2.8475 -2.8475 -2.7954 -2.7954 0.3069 0.3069 3.0513 3.0513 7.2798 7.2798 7.9072 7.9072 8.5534 8.5534 9.1747 9.1747 9.2882 9.2882 11.2233 11.2233 k = 0.5000 0.2799 0.2165 ( 9546 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1738 -35.1738 -35.1737 -35.1737 -35.1735 -35.1735 -35.1735 -35.1735 -4.9956 -4.9956 -4.9856 -4.9856 -2.8837 -2.8837 -2.8476 -2.8476 -2.7953 -2.7953 0.3038 0.3038 3.0473 3.0473 7.3324 7.3324 7.9933 7.9933 8.4594 8.4594 9.1614 9.1614 9.2589 9.2589 11.1981 11.1981 k = 0.5000 0.2887 0.2041 ( 9558 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1737 -35.1737 -35.1736 -35.1736 -35.1736 -35.1736 -35.1736 -35.1736 -4.9957 -4.9957 -4.9856 -4.9856 -2.8837 -2.8837 -2.8477 -2.8477 -2.7952 -2.7952 0.3027 0.3027 3.0460 3.0460 7.3503 7.3503 8.0336 8.0336 8.4157 8.4157 9.1566 9.1566 9.2500 9.2500 11.1897 11.1897 k = 0.5000 0.2887 0.2041 ( 9558 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1737 -35.1737 -35.1736 -35.1736 -35.1736 -35.1736 -35.1736 -35.1736 -4.9957 -4.9957 -4.9856 -4.9856 -2.8837 -2.8837 -2.8477 -2.8477 -2.7952 -2.7952 0.3027 0.3027 3.0460 3.0460 7.3503 7.3503 8.0336 8.0336 8.4157 8.4157 9.1566 9.1566 9.2500 9.2500 11.1897 11.1897 k = 0.4957 0.2862 0.2182 ( 9550 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1738 -35.1738 -35.1737 -35.1737 -35.1735 -35.1735 -35.1735 -35.1735 -4.9957 -4.9957 -4.9856 -4.9856 -2.8837 -2.8837 -2.8476 -2.8476 -2.7953 -2.7953 0.3038 0.3038 3.0473 3.0473 7.3329 7.3329 7.9943 7.9943 8.4583 8.4583 9.1613 9.1613 9.2586 9.2586 11.1979 11.1979 k = 0.4914 0.2837 0.2323 ( 9529 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1739 -35.1739 -35.1738 -35.1738 -35.1734 -35.1734 -35.1734 -35.1734 -4.9956 -4.9956 -4.9856 -4.9856 -2.8836 -2.8836 -2.8475 -2.8475 -2.7954 -2.7954 0.3068 0.3068 3.0512 3.0512 7.2817 7.2817 7.9100 7.9100 8.5502 8.5502 9.1752 9.1752 9.2863 9.2863 11.2223 11.2223 k = 0.4871 0.2812 0.2464 ( 9525 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1740 -35.1740 -35.1739 -35.1739 -35.1733 -35.1733 -35.1733 -35.1733 -4.9955 -4.9955 -4.9856 -4.9856 -2.8834 -2.8834 -2.8472 -2.8472 -2.7955 -2.7955 0.3118 0.3118 3.0577 3.0577 7.1997 7.1997 7.8166 7.8166 8.6474 8.6474 9.2011 9.2011 9.3357 9.3357 11.2625 11.2625 k = 0.4828 0.2787 0.2604 ( 9517 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1741 -35.1741 -35.1741 -35.1741 -35.1732 -35.1732 -35.1732 -35.1732 -4.9954 -4.9954 -4.9856 -4.9856 -2.8833 -2.8833 -2.8469 -2.8469 -2.7958 -2.7958 0.3188 0.3188 3.0668 3.0668 7.0919 7.0919 7.7258 7.7258 8.7252 8.7252 9.2471 9.2471 9.4073 9.4073 11.3178 11.3178 k = 0.4784 0.2762 0.2745 ( 9523 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1742 -35.1742 -35.1742 -35.1742 -35.1731 -35.1731 -35.1731 -35.1731 -4.9953 -4.9953 -4.9856 -4.9856 -2.8830 -2.8830 -2.8465 -2.8465 -2.7961 -2.7961 0.3278 0.3278 3.0784 3.0784 6.9651 6.9651 7.6397 7.6397 8.7706 8.7706 9.3190 9.3190 9.5003 9.5003 11.3872 11.3872 k = 0.4741 0.2737 0.2886 ( 9521 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1743 -35.1743 -35.1743 -35.1743 -35.1730 -35.1730 -35.1730 -35.1730 -4.9951 -4.9951 -4.9856 -4.9856 -2.8828 -2.8828 -2.8460 -2.8460 -2.7964 -2.7964 0.3388 0.3388 3.0926 3.0926 6.8252 6.8252 7.5571 7.5571 8.7846 8.7846 9.4128 9.4128 9.6136 9.6136 11.4700 11.4700 k = 0.4698 0.2713 0.3027 ( 9531 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1744 -35.1744 -35.1744 -35.1744 -35.1729 -35.1729 -35.1728 -35.1728 -4.9949 -4.9949 -4.9855 -4.9855 -2.8825 -2.8825 -2.8454 -2.8454 -2.7969 -2.7969 0.3516 0.3516 3.1093 3.1093 6.6772 6.6772 7.4770 7.4770 8.7761 8.7761 9.5194 9.5194 9.7443 9.7443 11.5650 11.5650 k = 0.4655 0.2688 0.3167 ( 9523 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1745 -35.1745 -35.1745 -35.1745 -35.1728 -35.1728 -35.1727 -35.1727 -4.9947 -4.9947 -4.9855 -4.9855 -2.8822 -2.8822 -2.8447 -2.8447 -2.7973 -2.7973 0.3664 0.3664 3.1285 3.1285 6.5243 6.5243 7.3987 7.3987 8.7536 8.7536 9.6326 9.6326 9.8881 9.8881 11.6715 11.6715 k = 0.4612 0.2663 0.3308 ( 9519 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1746 -35.1746 -35.1746 -35.1746 -35.1727 -35.1727 -35.1726 -35.1726 -4.9945 -4.9945 -4.9855 -4.9855 -2.8818 -2.8818 -2.8439 -2.8439 -2.7978 -2.7978 0.3830 0.3830 3.1502 3.1502 6.3689 6.3689 7.3218 7.3218 8.7224 8.7224 9.7502 9.7502 10.0405 10.0405 11.7884 11.7884 k = 0.4569 0.2638 0.3449 ( 9513 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1747 -35.1747 -35.1747 -35.1747 -35.1726 -35.1726 -35.1725 -35.1725 -4.9943 -4.9943 -4.9854 -4.9854 -2.8815 -2.8815 -2.8430 -2.8430 -2.7984 -2.7984 0.4013 0.4013 3.1742 3.1742 6.2128 6.2128 7.2461 7.2461 8.6859 8.6859 9.8715 9.8715 10.1974 10.1974 11.9148 11.9148 k = 0.4526 0.2613 0.3590 ( 9514 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1749 -35.1749 -35.1748 -35.1748 -35.1725 -35.1725 -35.1724 -35.1724 -4.9940 -4.9940 -4.9854 -4.9854 -2.8811 -2.8811 -2.8421 -2.8421 -2.7990 -2.7990 0.4214 0.4214 3.2005 3.2005 6.0570 6.0570 7.1719 7.1719 8.6462 8.6462 9.9961 9.9961 10.3561 10.3561 12.0491 12.0491 k = 0.4483 0.2588 0.3731 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1750 -35.1750 -35.1749 -35.1749 -35.1724 -35.1724 -35.1723 -35.1723 -4.9938 -4.9938 -4.9853 -4.9853 -2.8808 -2.8808 -2.8411 -2.8411 -2.7996 -2.7996 0.4431 0.4431 3.2291 3.2291 5.9026 5.9026 7.0992 7.0992 8.6047 8.6047 10.1241 10.1241 10.5140 10.5140 12.1888 12.1888 k = 0.4440 0.2563 0.3871 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1751 -35.1751 -35.1749 -35.1749 -35.1723 -35.1723 -35.1722 -35.1722 -4.9935 -4.9935 -4.9852 -4.9852 -2.8805 -2.8805 -2.8400 -2.8400 -2.8003 -2.8003 0.4664 0.4664 3.2598 3.2598 5.7502 5.7502 7.0282 7.0282 8.5623 8.5623 10.2551 10.2551 10.6692 10.6692 12.3259 12.3259 k = 0.4397 0.2538 0.4012 ( 9516 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4617 -35.4617 -35.4616 -35.4616 -35.1752 -35.1752 -35.1750 -35.1750 -35.1722 -35.1722 -35.1721 -35.1721 -4.9933 -4.9933 -4.9851 -4.9851 -2.8802 -2.8802 -2.8388 -2.8388 -2.8009 -2.8009 0.4911 0.4911 3.2925 3.2925 5.6004 5.6004 6.9590 6.9590 8.5197 8.5197 10.3890 10.3890 10.8196 10.8196 12.4223 12.4223 k = 0.4353 0.2513 0.4153 ( 9513 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1753 -35.1753 -35.1751 -35.1751 -35.1721 -35.1721 -35.1720 -35.1720 -4.9930 -4.9930 -4.9850 -4.9850 -2.8799 -2.8799 -2.8376 -2.8376 -2.8015 -2.8015 0.5171 0.5171 3.3270 3.3270 5.4540 5.4540 6.8919 6.8919 8.4775 8.4775 10.5255 10.5255 10.9620 10.9620 12.3913 12.3913 k = 0.4310 0.2489 0.4294 ( 9518 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1754 -35.1754 -35.1752 -35.1752 -35.1721 -35.1721 -35.1719 -35.1719 -4.9928 -4.9928 -4.9849 -4.9849 -2.8796 -2.8796 -2.8364 -2.8364 -2.8022 -2.8022 0.5442 0.5442 3.3632 3.3632 5.3115 5.3115 6.8268 6.8268 8.4360 8.4360 10.6643 10.6643 11.0919 11.0919 12.3009 12.3009 k = 0.4267 0.2464 0.4434 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1755 -35.1755 -35.1752 -35.1752 -35.1720 -35.1720 -35.1718 -35.1718 -4.9926 -4.9926 -4.9848 -4.9848 -2.8794 -2.8794 -2.8352 -2.8352 -2.8028 -2.8028 0.5723 0.5723 3.4008 3.4008 5.1735 5.1735 6.7639 6.7639 8.3956 8.3956 10.8050 10.8050 11.2016 11.2016 12.2159 12.2159 k = 0.4224 0.2439 0.4575 ( 9517 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1755 -35.1755 -35.1753 -35.1753 -35.1719 -35.1719 -35.1717 -35.1717 -4.9924 -4.9924 -4.9847 -4.9847 -2.8793 -2.8793 -2.8339 -2.8339 -2.8033 -2.8033 0.6012 0.6012 3.4393 3.4393 5.0408 5.0408 6.7035 6.7035 8.3564 8.3564 10.9471 10.9471 11.2788 11.2788 12.1594 12.1594 k = 0.4181 0.2414 0.4716 ( 9513 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1756 -35.1756 -35.1754 -35.1754 -35.1719 -35.1719 -35.1716 -35.1716 -4.9922 -4.9922 -4.9845 -4.9845 -2.8791 -2.8791 -2.8327 -2.8327 -2.8038 -2.8038 0.6306 0.6306 3.4782 3.4782 4.9143 4.9143 6.6454 6.6454 8.3187 8.3187 11.0886 11.0886 11.3109 11.3109 12.1481 12.1481 k = 0.4138 0.2389 0.4857 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4618 -35.4618 -35.4616 -35.4616 -35.1757 -35.1757 -35.1754 -35.1754 -35.1718 -35.1718 -35.1715 -35.1715 -4.9921 -4.9921 -4.9843 -4.9843 -2.8790 -2.8790 -2.8316 -2.8316 -2.8043 -2.8043 0.6602 0.6602 3.5169 3.5169 4.7950 4.7950 6.5899 6.5899 8.2827 8.2827 11.2136 11.2136 11.3089 11.3089 12.1870 12.1870 k = 0.4095 0.2364 0.4998 ( 9520 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1758 -35.1758 -35.1754 -35.1754 -35.1718 -35.1718 -35.1715 -35.1715 -4.9919 -4.9919 -4.9842 -4.9842 -2.8790 -2.8790 -2.8305 -2.8305 -2.8047 -2.8047 0.6898 0.6898 3.5542 3.5542 4.6844 4.6844 6.5369 6.5369 8.2484 8.2484 11.2042 11.2042 11.4010 11.4010 12.2656 12.2656 k = 0.4052 0.2339 0.5138 ( 9526 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1759 -35.1759 -35.1755 -35.1755 -35.1718 -35.1718 -35.1714 -35.1714 -4.9918 -4.9918 -4.9840 -4.9840 -2.8790 -2.8790 -2.8295 -2.8295 -2.8049 -2.8049 0.7189 0.7189 3.5887 3.5887 4.5843 4.5843 6.4867 6.4867 8.2161 8.2161 11.1203 11.1203 11.5420 11.5420 12.3677 12.3677 k = 0.4009 0.2314 0.5279 ( 9528 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4619 -35.4619 -35.4615 -35.4615 -35.1760 -35.1760 -35.1755 -35.1755 -35.1717 -35.1717 -35.1713 -35.1713 -4.9918 -4.9918 -4.9838 -4.9838 -2.8790 -2.8790 -2.8285 -2.8285 -2.8051 -2.8051 0.7472 0.7472 3.6183 3.6183 4.4975 4.4975 6.4392 6.4392 8.1857 8.1857 11.0181 11.0181 11.6862 11.6862 12.4811 12.4811 k = 0.3966 0.2289 0.5420 ( 9520 PWs) bands (ev): -68.5078 -68.5078 -68.5078 -68.5078 -39.0684 -39.0684 -35.4620 -35.4620 -35.4615 -35.4615 -35.1761 -35.1761 -35.1755 -35.1755 -35.1717 -35.1717 -35.1712 -35.1712 -4.9917 -4.9917 -4.9836 -4.9836 -2.8790 -2.8790 -2.8278 -2.8278 -2.8051 -2.8051 0.7741 0.7741 3.6403 3.6403 4.4269 4.4269 6.3945 6.3945 8.1574 8.1574 10.9074 10.9074 11.8291 11.8291 12.5976 12.5976 k = 0.3922 0.2265 0.5561 ( 9522 PWs) bands (ev): -68.5078 -68.5078 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1761 -35.1761 -35.1756 -35.1756 -35.1717 -35.1717 -35.1711 -35.1711 -4.9917 -4.9917 -4.9834 -4.9834 -2.8791 -2.8791 -2.8271 -2.8271 -2.8050 -2.8050 0.7992 0.7992 3.6518 3.6518 4.3762 4.3762 6.3526 6.3526 8.1311 8.1311 10.7927 10.7927 11.9680 11.9680 12.7115 12.7115 k = 0.3879 0.2240 0.5701 ( 9524 PWs) bands (ev): -68.5078 -68.5078 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1762 -35.1762 -35.1756 -35.1756 -35.1717 -35.1717 -35.1711 -35.1711 -4.9917 -4.9917 -4.9832 -4.9832 -2.8793 -2.8793 -2.8266 -2.8266 -2.8048 -2.8048 0.8218 0.8218 3.6508 3.6508 4.3479 4.3479 6.3137 6.3137 8.1071 8.1071 10.6761 10.6761 12.0995 12.0995 12.8187 12.8187 k = 0.3836 0.2215 0.5842 ( 9532 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4620 -35.4620 -35.4614 -35.4614 -35.1763 -35.1763 -35.1756 -35.1756 -35.1717 -35.1717 -35.1710 -35.1710 -4.9917 -4.9917 -4.9830 -4.9830 -2.8795 -2.8795 -2.8262 -2.8262 -2.8045 -2.8045 0.8414 0.8414 3.6374 3.6374 4.3423 4.3423 6.2776 6.2776 8.0853 8.0853 10.5592 10.5592 12.2191 12.2191 12.9170 12.9170 k = 0.3793 0.2190 0.5983 ( 9536 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1709 -35.1709 -4.9917 -4.9917 -4.9829 -4.9829 -2.8797 -2.8797 -2.8259 -2.8259 -2.8041 -2.8041 0.8573 0.8573 3.6146 3.6146 4.3573 4.3573 6.2446 6.2446 8.0657 8.0657 10.4429 10.4429 12.3209 12.3209 13.0087 13.0087 k = 0.3750 0.2165 0.6124 ( 9547 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1708 -35.1708 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8258 -2.8258 -2.8037 -2.8037 0.8688 0.8688 3.5869 3.5869 4.3889 4.3889 6.2146 6.2146 8.0484 8.0484 10.3277 10.3277 12.3997 12.3997 13.0983 13.0983 k = 0.6250-0.0722 0.4082 ( 9547 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4621 -35.4621 -35.4613 -35.4613 -35.1764 -35.1764 -35.1756 -35.1756 -35.1717 -35.1717 -35.1708 -35.1708 -4.9918 -4.9918 -4.9827 -4.9827 -2.8799 -2.8799 -2.8258 -2.8258 -2.8037 -2.8037 0.8688 0.8688 3.5869 3.5869 4.3889 4.3889 6.2146 6.2146 8.0484 8.0484 10.3277 10.3277 12.3997 12.3997 13.0983 13.0983 k = 0.6176-0.0849 0.4082 ( 9526 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4622 -35.4622 -35.4612 -35.4612 -35.1765 -35.1765 -35.1755 -35.1755 -35.1717 -35.1717 -35.1707 -35.1707 -4.9919 -4.9919 -4.9824 -4.9824 -2.8803 -2.8803 -2.8256 -2.8256 -2.8028 -2.8028 0.8831 0.8831 3.5392 3.5392 4.4582 4.4582 6.1676 6.1676 8.0217 8.0217 10.1326 10.1326 12.5124 12.5124 13.1894 13.1894 k = 0.6103-0.0976 0.4082 ( 9526 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4623 -35.4623 -35.4612 -35.4612 -35.1766 -35.1766 -35.1755 -35.1755 -35.1717 -35.1717 -35.1706 -35.1706 -4.9921 -4.9921 -4.9822 -4.9822 -2.8808 -2.8808 -2.8256 -2.8256 -2.8018 -2.8018 0.8948 0.8948 3.4936 3.4936 4.5345 4.5345 6.1235 6.1235 7.9965 7.9965 9.9385 9.9385 12.6234 12.6234 13.2802 13.2802 k = 0.6029-0.1104 0.4082 ( 9530 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4623 -35.4623 -35.4611 -35.4611 -35.1767 -35.1767 -35.1755 -35.1755 -35.1717 -35.1717 -35.1705 -35.1705 -4.9922 -4.9922 -4.9820 -4.9820 -2.8813 -2.8813 -2.8256 -2.8256 -2.8008 -2.8008 0.9043 0.9043 3.4505 3.4505 4.6167 4.6167 6.0826 6.0826 7.9727 7.9727 9.7463 9.7463 12.7323 12.7323 13.3737 13.3737 k = 0.5956-0.1231 0.4082 ( 9526 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4624 -35.4624 -35.4611 -35.4611 -35.1768 -35.1768 -35.1755 -35.1755 -35.1718 -35.1718 -35.1704 -35.1704 -4.9924 -4.9924 -4.9817 -4.9817 -2.8818 -2.8818 -2.8257 -2.8257 -2.7998 -2.7998 0.9118 0.9118 3.4099 3.4099 4.7041 4.7041 6.0449 6.0449 7.9503 7.9503 9.5569 9.5569 12.8386 12.8386 13.4691 13.4691 k = 0.5882-0.1358 0.4082 ( 9534 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4624 -35.4624 -35.4610 -35.4610 -35.1769 -35.1769 -35.1755 -35.1755 -35.1718 -35.1718 -35.1703 -35.1703 -4.9926 -4.9926 -4.9815 -4.9815 -2.8823 -2.8823 -2.8258 -2.8258 -2.7987 -2.7987 0.9176 0.9176 3.3721 3.3721 4.7957 4.7957 6.0106 6.0106 7.9294 7.9294 9.3711 9.3711 12.9417 12.9417 13.5658 13.5658 k = 0.5809-0.1486 0.4082 ( 9528 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4625 -35.4625 -35.4610 -35.4610 -35.1770 -35.1770 -35.1754 -35.1754 -35.1718 -35.1718 -35.1703 -35.1703 -4.9927 -4.9927 -4.9813 -4.9813 -2.8828 -2.8828 -2.8259 -2.8259 -2.7977 -2.7977 0.9220 0.9220 3.3370 3.3370 4.8905 4.8905 5.9799 5.9799 7.9098 7.9098 9.1896 9.1896 13.0409 13.0409 13.6626 13.6626 k = 0.5735-0.1613 0.4082 ( 9542 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4625 -35.4625 -35.4609 -35.4609 -35.1771 -35.1771 -35.1754 -35.1754 -35.1718 -35.1718 -35.1702 -35.1702 -4.9929 -4.9929 -4.9811 -4.9811 -2.8833 -2.8833 -2.8261 -2.8261 -2.7966 -2.7966 0.9252 0.9252 3.3048 3.3048 4.9872 4.9872 5.9531 5.9531 7.8915 7.8915 9.0135 9.0135 13.1357 13.1357 13.7587 13.7587 k = 0.5662-0.1741 0.4082 ( 9538 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4625 -35.4625 -35.4609 -35.4609 -35.1771 -35.1771 -35.1754 -35.1754 -35.1718 -35.1718 -35.1701 -35.1701 -4.9930 -4.9930 -4.9809 -4.9809 -2.8837 -2.8837 -2.8262 -2.8262 -2.7957 -2.7957 0.9273 0.9273 3.2755 3.2755 5.0843 5.0843 5.9306 5.9306 7.8743 7.8743 8.8438 8.8438 13.2254 13.2254 13.8530 13.8530 k = 0.5588-0.1868 0.4082 ( 9530 PWs) bands (ev): -68.5079 -68.5079 -68.5077 -68.5077 -39.0684 -39.0684 -35.4626 -35.4626 -35.4609 -35.4609 -35.1772 -35.1772 -35.1754 -35.1754 -35.1718 -35.1718 -35.1701 -35.1701 -4.9932 -4.9932 -4.9807 -4.9807 -2.8841 -2.8841 -2.8264 -2.8264 -2.7948 -2.7948 0.9287 0.9287 3.2492 3.2492 5.1800 5.1800 5.9130 5.9130 7.8581 7.8581 8.6819 8.6819 13.3091 13.3091 13.9441 13.9441 k = 0.5515-0.1995 0.4082 ( 9522 PWs) bands (ev): -68.5079 -68.5079 -68.5076 -68.5076 -39.0684 -39.0684 -35.4626 -35.4626 -35.4608 -35.4608 -35.1773 -35.1773 -35.1754 -35.1754 -35.1718 -35.1718 -35.1700 -35.1700 -4.9933 -4.9933 -4.9806 -4.9806 -2.8845 -2.8845 -2.8265 -2.8265 -2.7939 -2.7939 0.9295 0.9295 3.2260 3.2260 5.2717 5.2717 5.9012 5.9012 7.8425 7.8425 8.5295 8.5295 13.3861 13.3861 14.0306 14.0306 k = 0.5441-0.2123 0.4082 ( 9532 PWs) bands (ev): -68.5079 -68.5079 -68.5076 -68.5076 -39.0684 -39.0684 -35.4626 -35.4626 -35.4608 -35.4608 -35.1773 -35.1773 -35.1754 -35.1754 -35.1719 -35.1719 -35.1700 -35.1700 -4.9934 -4.9934 -4.9805 -4.9805 -2.8849 -2.8849 -2.8267 -2.8267 -2.7932 -2.7932 0.9299 0.9299 3.2057 3.2057 5.3564 5.3564 5.8963 5.8963 7.8271 7.8271 8.3891 8.3891 13.4555 13.4555 14.1108 14.1108 k = 0.5368-0.2250 0.4082 ( 9524 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4608 -35.4608 -35.1773 -35.1773 -35.1754 -35.1754 -35.1719 -35.1719 -35.1699 -35.1699 -4.9935 -4.9935 -4.9803 -4.9803 -2.8852 -2.8852 -2.8268 -2.8268 -2.7925 -2.7925 0.9300 0.9300 3.1886 3.1886 5.4305 5.4305 5.8994 5.8994 7.8111 7.8111 8.2638 8.2638 13.5163 13.5163 14.1832 14.1832 k = 0.5294-0.2377 0.4082 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4608 -35.4608 -35.1774 -35.1774 -35.1754 -35.1754 -35.1719 -35.1719 -35.1699 -35.1699 -4.9936 -4.9936 -4.9802 -4.9802 -2.8855 -2.8855 -2.8269 -2.8269 -2.7920 -2.7920 0.9299 0.9299 3.1745 3.1745 5.4904 5.4904 5.9111 5.9111 7.7935 7.7935 8.1574 8.1574 13.5677 13.5677 14.2458 14.2458 k = 0.5221-0.2505 0.4082 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1699 -35.1699 -4.9937 -4.9937 -4.9802 -4.9802 -2.8857 -2.8857 -2.8270 -2.8270 -2.7916 -2.7916 0.9297 0.9297 3.1635 3.1635 5.5342 5.5342 5.9295 5.9295 7.7737 7.7737 8.0743 8.0743 13.6088 13.6088 14.2969 14.2969 k = 0.5147-0.2632 0.4082 ( 9536 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9801 -4.9801 -2.8858 -2.8858 -2.8270 -2.8270 -2.7913 -2.7913 0.9296 0.9296 3.1557 3.1557 5.5626 5.5626 5.9500 5.9500 7.7532 7.7532 8.0170 8.0170 13.6387 13.6387 14.3348 14.3348 k = 0.5074-0.2759 0.4082 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9801 -4.9801 -2.8859 -2.8859 -2.8271 -2.8271 -2.7911 -2.7911 0.9295 0.9295 3.1510 3.1510 5.5780 5.5780 5.9659 5.9659 7.7366 7.7366 7.9849 7.9849 13.6570 13.6570 14.3581 14.3581 k = 0.5000-0.2887 0.4082 ( 9528 PWs) bands (ev): -68.5080 -68.5080 -68.5076 -68.5076 -39.0684 -39.0684 -35.4627 -35.4627 -35.4607 -35.4607 -35.1774 -35.1774 -35.1753 -35.1753 -35.1719 -35.1719 -35.1698 -35.1698 -4.9938 -4.9938 -4.9801 -4.9801 -2.8859 -2.8859 -2.8271 -2.8271 -2.7910 -2.7910 0.9294 0.9294 3.1494 3.1494 5.5828 5.5828 5.9719 5.9719 7.7302 7.7302 7.9747 7.9747 13.6631 13.6631 14.3660 14.3660 Writing output data file LiMg2Tl.save init_run : 0.54s CPU 0.65s WALL ( 1 calls) electrons : 160.33s CPU 162.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 160.33s CPU 162.30s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 310 calls) cegterg : 145.20s CPU 146.49s WALL ( 331 calls) Called by sum_band: Called by *egterg: h_psi : 105.50s CPU 106.70s WALL ( 5688 calls) s_psi : 2.30s CPU 2.25s WALL ( 5688 calls) g_psi : 0.40s CPU 0.36s WALL ( 5047 calls) cdiaghg : 29.46s CPU 29.63s WALL ( 5357 calls) cegterg:over : 6.60s CPU 6.88s WALL ( 5047 calls) cegterg:upda : 7.04s CPU 7.04s WALL ( 5047 calls) cegterg:last : 3.57s CPU 3.57s WALL ( 951 calls) cdiaghg:chol : 1.77s CPU 1.74s WALL ( 5357 calls) cdiaghg:inve : 0.95s CPU 0.96s WALL ( 5357 calls) cdiaghg:para : 1.82s CPU 1.75s WALL ( 10714 calls) Called by h_psi: h_psi:vloc : 99.44s CPU 100.46s WALL ( 5688 calls) h_psi:vnl : 5.71s CPU 5.88s WALL ( 5688 calls) add_vuspsi : 2.56s CPU 2.62s WALL ( 5688 calls) General routines calbec : 3.12s CPU 3.25s WALL ( 5688 calls) fft : 0.02s CPU 0.01s WALL ( 15 calls) fftw : 94.52s CPU 95.34s WALL ( 535244 calls) davcio : 0.23s CPU 0.36s WALL ( 620 calls) Parallel routines fft_scatter : 31.14s CPU 31.22s WALL ( 535259 calls) PWSCF : 3m 2.82s CPU 3m15.93s WALL This run was terminated on: 20:23:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=