Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2CdPb.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 102 66 18 4090 2114 308 Max 103 67 19 4093 2127 313 Sum 3679 2383 661 147271 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 = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 639.0000 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 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. # 3 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 atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Pb 14.00 207.20000 Pb( 1.00) Li 3.00 6.94100 Li( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 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 inv. 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 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 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 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 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 0.1086956 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 0.6413043), wk = 0.0032258 k( 62) = ( 0.5000000 0.1521739 0.6521739), wk = 0.0032258 k( 63) = ( 0.5000000 0.1630435 0.6630435), wk = 0.0032258 k( 64) = ( 0.5000000 0.1739130 0.6739130), wk = 0.0032258 k( 65) = ( 0.5000000 0.1847826 0.6847826), wk = 0.0032258 k( 66) = ( 0.5000000 0.1956522 0.6956522), wk = 0.0032258 k( 67) = ( 0.5000000 0.2065217 0.7065217), wk = 0.0032258 k( 68) = ( 0.5000000 0.2173913 0.7173913), wk = 0.0032258 k( 69) = ( 0.5000000 0.2282609 0.7282609), wk = 0.0032258 k( 70) = ( 0.5000000 0.2391304 0.7391304), wk = 0.0032258 k( 71) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258 k( 72) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258 k( 73) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0032258 k( 74) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0032258 k( 75) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0032258 k( 76) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0032258 k( 77) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0032258 k( 78) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0032258 k( 79) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0032258 k( 80) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0032258 k( 81) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0032258 k( 82) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0032258 k( 83) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0032258 k( 84) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0032258 k( 85) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0032258 k( 86) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0032258 k( 87) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0032258 k( 88) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0032258 k( 89) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032258 k( 90) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032258 k( 91) = ( 0.3673469 0.3673469 0.7346939), wk = 0.0032258 k( 92) = ( 0.3596939 0.3596939 0.7193878), wk = 0.0032258 k( 93) = ( 0.3520408 0.3520408 0.7040816), wk = 0.0032258 k( 94) = ( 0.3443878 0.3443878 0.6887755), wk = 0.0032258 k( 95) = ( 0.3367347 0.3367347 0.6734694), wk = 0.0032258 k( 96) = ( 0.3290816 0.3290816 0.6581633), wk = 0.0032258 k( 97) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0032258 k( 98) = ( 0.3137755 0.3137755 0.6275510), wk = 0.0032258 k( 99) = ( 0.3061224 0.3061224 0.6122449), wk = 0.0032258 k( 100) = ( 0.2984694 0.2984694 0.5969388), wk = 0.0032258 k( 101) = ( 0.2908163 0.2908163 0.5816326), wk = 0.0032258 k( 102) = ( 0.2831633 0.2831633 0.5663265), wk = 0.0032258 k( 103) = ( 0.2755102 0.2755102 0.5510204), wk = 0.0032258 k( 104) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0032258 k( 105) = ( 0.2602041 0.2602041 0.5204082), wk = 0.0032258 k( 106) = ( 0.2525510 0.2525510 0.5051020), wk = 0.0032258 k( 107) = ( 0.2448980 0.2448980 0.4897959), wk = 0.0032258 k( 108) = ( 0.2372449 0.2372449 0.4744898), wk = 0.0032258 k( 109) = ( 0.2295918 0.2295918 0.4591837), wk = 0.0032258 k( 110) = ( 0.2219388 0.2219388 0.4438776), wk = 0.0032258 k( 111) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0032258 k( 112) = ( 0.2066327 0.2066326 0.4132653), wk = 0.0032258 k( 113) = ( 0.1989796 0.1989796 0.3979592), wk = 0.0032258 k( 114) = ( 0.1913265 0.1913265 0.3826531), wk = 0.0032258 k( 115) = ( 0.1836735 0.1836735 0.3673469), wk = 0.0032258 k( 116) = ( 0.1760204 0.1760204 0.3520408), wk = 0.0032258 k( 117) = ( 0.1683673 0.1683673 0.3367347), wk = 0.0032258 k( 118) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0032258 k( 119) = ( 0.1530612 0.1530612 0.3061224), wk = 0.0032258 k( 120) = ( 0.1454082 0.1454082 0.2908163), wk = 0.0032258 k( 121) = ( 0.1377551 0.1377551 0.2755102), wk = 0.0032258 k( 122) = ( 0.1301020 0.1301020 0.2602041), wk = 0.0032258 k( 123) = ( 0.1224490 0.1224490 0.2448980), wk = 0.0032258 k( 124) = ( 0.1147959 0.1147959 0.2295918), wk = 0.0032258 k( 125) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0032258 k( 126) = ( 0.0994898 0.0994898 0.1989796), wk = 0.0032258 k( 127) = ( 0.0918367 0.0918367 0.1836735), wk = 0.0032258 k( 128) = ( 0.0841837 0.0841837 0.1683673), wk = 0.0032258 k( 129) = ( 0.0765306 0.0765306 0.1530612), wk = 0.0032258 k( 130) = ( 0.0688775 0.0688775 0.1377551), wk = 0.0032258 k( 131) = ( 0.0612245 0.0612245 0.1224490), wk = 0.0032258 k( 132) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0032258 k( 133) = ( 0.0459184 0.0459184 0.0918367), wk = 0.0032258 k( 134) = ( 0.0382653 0.0382653 0.0765306), wk = 0.0032258 k( 135) = ( 0.0306122 0.0306122 0.0612245), wk = 0.0032258 k( 136) = ( 0.0229592 0.0229592 0.0459184), wk = 0.0032258 k( 137) = ( 0.0153061 0.0153061 0.0306122), wk = 0.0032258 k( 138) = ( 0.0076531 0.0076531 0.0153061), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 141) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0032258 k( 142) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0032258 k( 143) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0032258 k( 144) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032258 k( 145) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0032258 k( 146) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0032258 k( 147) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0032258 k( 148) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032258 k( 149) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0032258 k( 150) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032258 k( 151) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0032258 k( 152) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032258 k( 153) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0032258 k( 154) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0032258 k( 155) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0032258 k( 156) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032258 k( 157) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0032258 k( 158) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0032258 k( 159) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0032258 k( 160) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 161) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0032258 k( 162) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0032258 k( 163) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0032258 k( 164) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032258 k( 165) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0032258 k( 166) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0032258 k( 167) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0032258 k( 168) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032258 k( 169) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0032258 k( 170) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032258 k( 171) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0032258 k( 172) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032258 k( 173) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0032258 k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0032258 k( 175) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0032258 k( 176) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032258 k( 177) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0032258 k( 178) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0032258 k( 179) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0032258 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 181) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 182) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0032258 k( 183) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0032258 k( 184) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0032258 k( 185) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0032258 k( 186) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0032258 k( 187) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0032258 k( 188) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0032258 k( 189) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0032258 k( 190) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0032258 k( 191) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0032258 k( 192) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0032258 k( 193) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0032258 k( 194) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0032258 k( 195) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0032258 k( 196) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0032258 k( 197) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0032258 k( 198) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0032258 k( 199) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0032258 k( 200) = ( 0.5818965 0.3362069 0.5818965), 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 0.6691176), wk = 0.0032258 k( 218) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0032258 k( 219) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0032258 k( 220) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0032258 k( 221) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0032258 k( 222) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0032258 k( 223) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0032258 k( 224) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0032258 k( 225) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0032258 k( 226) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0032258 k( 227) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0032258 k( 228) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258 k( 229) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258 k( 230) = ( 0.5000000 0.2575758 0.7424242), wk = 0.0032258 k( 231) = ( 0.5000000 0.2651515 0.7348485), wk = 0.0032258 k( 232) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0032258 k( 233) = ( 0.5000000 0.2803030 0.7196970), wk = 0.0032258 k( 234) = ( 0.5000000 0.2878788 0.7121212), wk = 0.0032258 k( 235) = ( 0.5000000 0.2954545 0.7045454), 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 0.3484848 0.6515151), wk = 0.0032258 k( 243) = ( 0.5000000 0.3560606 0.6439394), wk = 0.0032258 k( 244) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0032258 k( 245) = ( 0.5000000 0.3712121 0.6287879), wk = 0.0032258 k( 246) = ( 0.5000000 0.3787879 0.6212121), wk = 0.0032258 k( 247) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0032258 k( 248) = ( 0.5000000 0.3939394 0.6060606), wk = 0.0032258 k( 249) = ( 0.5000000 0.4015151 0.5984848), wk = 0.0032258 k( 250) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0032258 k( 251) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0032258 k( 252) = ( 0.5000000 0.4242424 0.5757576), wk = 0.0032258 k( 253) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0032258 k( 254) = ( 0.5000000 0.4393939 0.5606061), wk = 0.0032258 k( 255) = ( 0.5000000 0.4469697 0.5530303), wk = 0.0032258 k( 256) = ( 0.5000000 0.4545454 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: 147271 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 76321 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 538, 40) NL pseudopotentials 0.39 Mb ( 269, 96) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.03 Mb ( 4091) G-vector shells 0.01 Mb ( 821) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.31 Mb ( 538, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) The potential is recalculated from file : ./Li2CdPb.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.5 secs Computing kpt #: 8 total cpu time spent up to now is 9.1 secs Computing kpt #: 9 total cpu time spent up to now is 9.8 secs Computing kpt #: 10 total cpu time spent up to now is 10.4 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 11.8 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.2 secs Computing kpt #: 15 total cpu time spent up to now is 13.9 secs Computing kpt #: 16 total cpu time spent up to now is 14.5 secs Computing kpt #: 17 total cpu time spent up to now is 15.2 secs Computing kpt #: 18 total cpu time spent up to now is 16.4 secs Computing kpt #: 19 total cpu time spent up to now is 17.2 secs Computing kpt #: 20 total cpu time spent up to now is 17.9 secs Computing kpt #: 21 total cpu time spent up to now is 18.6 secs Computing kpt #: 22 total cpu time spent up to now is 19.3 secs Computing kpt #: 23 total cpu time spent up to now is 20.0 secs Computing kpt #: 24 total cpu time spent up to now is 20.8 secs Computing kpt #: 25 total cpu time spent up to now is 21.5 secs Computing kpt #: 26 total cpu time spent up to now is 22.2 secs Computing kpt #: 27 total cpu time spent up to now is 23.0 secs Computing kpt #: 28 total cpu time spent up to now is 23.8 secs Computing kpt #: 29 total cpu time spent up to now is 24.5 secs Computing kpt #: 30 total cpu time spent up to now is 25.2 secs Computing kpt #: 31 total cpu time spent up to now is 26.0 secs Computing kpt #: 32 total cpu time spent up to now is 26.8 secs Computing kpt #: 33 total cpu time spent up to now is 27.5 secs Computing kpt #: 34 total cpu time spent up to now is 28.2 secs Computing kpt #: 35 total cpu time spent up to now is 28.9 secs Computing kpt #: 36 total cpu time spent up to now is 29.6 secs Computing kpt #: 37 total cpu time spent up to now is 30.2 secs Computing kpt #: 38 total cpu time spent up to now is 30.9 secs Computing kpt #: 39 total cpu time spent up to now is 31.5 secs Computing kpt #: 40 total cpu time spent up to now is 32.2 secs Computing kpt #: 41 total cpu time spent up to now is 32.8 secs Computing kpt #: 42 total cpu time spent up to now is 33.6 secs Computing kpt #: 43 total cpu time spent up to now is 34.2 secs Computing kpt #: 44 total cpu time spent up to now is 35.0 secs Computing kpt #: 45 total cpu time spent up to now is 35.7 secs Computing kpt #: 46 total cpu time spent up to now is 36.4 secs Computing kpt #: 47 total cpu time spent up to now is 37.1 secs Computing kpt #: 48 total cpu time spent up to now is 37.8 secs Computing kpt #: 49 total cpu time spent up to now is 38.6 secs Computing kpt #: 50 total cpu time spent up to now is 39.4 secs Computing kpt #: 51 total cpu time spent up to now is 40.1 secs Computing kpt #: 52 total cpu time spent up to now is 40.8 secs Computing kpt #: 53 total cpu time spent up to now is 41.6 secs Computing kpt #: 54 total cpu time spent up to now is 42.4 secs Computing kpt #: 55 total cpu time spent up to now is 43.3 secs Computing kpt #: 56 total cpu time spent up to now is 44.0 secs Computing kpt #: 57 total cpu time spent up to now is 44.8 secs Computing kpt #: 58 total cpu time spent up to now is 45.5 secs Computing kpt #: 59 total cpu time spent up to now is 46.2 secs Computing kpt #: 60 total cpu time spent up to now is 46.8 secs Computing kpt #: 61 total cpu time spent up to now is 47.3 secs Computing kpt #: 62 total cpu time spent up to now is 48.0 secs Computing kpt #: 63 total cpu time spent up to now is 48.5 secs Computing kpt #: 64 total cpu time spent up to now is 49.1 secs Computing kpt #: 65 total cpu time spent up to now is 49.7 secs Computing kpt #: 66 total cpu time spent up to now is 50.3 secs Computing kpt #: 67 total cpu time spent up to now is 50.9 secs Computing kpt #: 68 total cpu time spent up to now is 51.5 secs Computing kpt #: 69 total cpu time spent up to now is 52.0 secs Computing kpt #: 70 total cpu time spent up to now is 52.6 secs Computing kpt #: 71 total cpu time spent up to now is 53.2 secs Computing kpt #: 72 total cpu time spent up to now is 53.7 secs Computing kpt #: 73 total cpu time spent up to now is 54.3 secs Computing kpt #: 74 total cpu time spent up to now is 54.9 secs Computing kpt #: 75 total cpu time spent up to now is 55.5 secs Computing kpt #: 76 total cpu time spent up to now is 56.0 secs Computing kpt #: 77 total cpu time spent up to now is 56.7 secs Computing kpt #: 78 total cpu time spent up to now is 57.3 secs Computing kpt #: 79 total cpu time spent up to now is 57.9 secs Computing kpt #: 80 total cpu time spent up to now is 58.5 secs Computing kpt #: 81 total cpu time spent up to now is 59.1 secs Computing kpt #: 82 total cpu time spent up to now is 59.8 secs Computing kpt #: 83 total cpu time spent up to now is 60.4 secs Computing kpt #: 84 total cpu time spent up to now is 61.0 secs Computing kpt #: 85 total cpu time spent up to now is 61.7 secs Computing kpt #: 86 total cpu time spent up to now is 62.4 secs Computing kpt #: 87 total cpu time spent up to now is 63.0 secs Computing kpt #: 88 total cpu time spent up to now is 63.6 secs Computing kpt #: 89 total cpu time spent up to now is 64.2 secs Computing kpt #: 90 total cpu time spent up to now is 64.8 secs Computing kpt #: 91 total cpu time spent up to now is 65.4 secs Computing kpt #: 92 total cpu time spent up to now is 66.1 secs Computing kpt #: 93 total cpu time spent up to now is 66.7 secs Computing kpt #: 94 total cpu time spent up to now is 67.3 secs Computing kpt #: 95 total cpu time spent up to now is 67.9 secs Computing kpt #: 96 total cpu time spent up to now is 68.5 secs Computing kpt #: 97 total cpu time spent up to now is 69.2 secs Computing kpt #: 98 total cpu time spent up to now is 69.8 secs Computing kpt #: 99 total cpu time spent up to now is 70.6 secs Computing kpt #: 100 total cpu time spent up to now is 71.2 secs Computing kpt #: 101 total cpu time spent up to now is 71.9 secs Computing kpt #: 102 total cpu time spent up to now is 72.6 secs Computing kpt #: 103 total cpu time spent up to now is 73.4 secs Computing kpt #: 104 total cpu time spent up to now is 74.1 secs Computing kpt #: 105 total cpu time spent up to now is 74.8 secs Computing kpt #: 106 total cpu time spent up to now is 75.5 secs Computing kpt #: 107 total cpu time spent up to now is 76.2 secs Computing kpt #: 108 total cpu time spent up to now is 76.9 secs Computing kpt #: 109 total cpu time spent up to now is 77.6 secs Computing kpt #: 110 total cpu time spent up to now is 78.3 secs Computing kpt #: 111 total cpu time spent up to now is 79.0 secs Computing kpt #: 112 total cpu time spent up to now is 79.6 secs Computing kpt #: 113 total cpu time spent up to now is 80.3 secs Computing kpt #: 114 total cpu time spent up to now is 81.0 secs Computing kpt #: 115 total cpu time spent up to now is 81.6 secs Computing kpt #: 116 total cpu time spent up to now is 82.3 secs Computing kpt #: 117 total cpu time spent up to now is 82.9 secs Computing kpt #: 118 total cpu time spent up to now is 83.6 secs Computing kpt #: 119 total cpu time spent up to now is 84.3 secs Computing kpt #: 120 total cpu time spent up to now is 84.9 secs Computing kpt #: 121 total cpu time spent up to now is 85.6 secs Computing kpt #: 122 total cpu time spent up to now is 86.2 secs Computing kpt #: 123 total cpu time spent up to now is 86.9 secs Computing kpt #: 124 total cpu time spent up to now is 87.6 secs Computing kpt #: 125 total cpu time spent up to now is 88.3 secs Computing kpt #: 126 total cpu time spent up to now is 89.0 secs Computing kpt #: 127 total cpu time spent up to now is 89.6 secs Computing kpt #: 128 total cpu time spent up to now is 90.3 secs Computing kpt #: 129 total cpu time spent up to now is 91.0 secs Computing kpt #: 130 total cpu time spent up to now is 91.6 secs Computing kpt #: 131 total cpu time spent up to now is 92.2 secs Computing kpt #: 132 total cpu time spent up to now is 92.9 secs Computing kpt #: 133 total cpu time spent up to now is 93.5 secs Computing kpt #: 134 total cpu time spent up to now is 94.2 secs Computing kpt #: 135 total cpu time spent up to now is 94.8 secs Computing kpt #: 136 total cpu time spent up to now is 95.4 secs Computing kpt #: 137 total cpu time spent up to now is 96.1 secs Computing kpt #: 138 total cpu time spent up to now is 96.7 secs Computing kpt #: 139 total cpu time spent up to now is 97.3 secs Computing kpt #: 140 total cpu time spent up to now is 98.0 secs Computing kpt #: 141 total cpu time spent up to now is 98.6 secs Computing kpt #: 142 total cpu time spent up to now is 99.2 secs Computing kpt #: 143 total cpu time spent up to now is 99.9 secs Computing kpt #: 144 total cpu time spent up to now is 100.5 secs Computing kpt #: 145 total cpu time spent up to now is 101.2 secs Computing kpt #: 146 total cpu time spent up to now is 101.8 secs Computing kpt #: 147 total cpu time spent up to now is 102.4 secs Computing kpt #: 148 total cpu time spent up to now is 103.1 secs Computing kpt #: 149 total cpu time spent up to now is 103.7 secs Computing kpt #: 150 total cpu time spent up to now is 104.6 secs Computing kpt #: 151 total cpu time spent up to now is 105.5 secs Computing kpt #: 152 total cpu time spent up to now is 106.4 secs Computing kpt #: 153 total cpu time spent up to now is 107.1 secs Computing kpt #: 154 total cpu time spent up to now is 107.8 secs Computing kpt #: 155 total cpu time spent up to now is 108.5 secs Computing kpt #: 156 total cpu time spent up to now is 109.2 secs Computing kpt #: 157 total cpu time spent up to now is 109.8 secs Computing kpt #: 158 total cpu time spent up to now is 110.5 secs Computing kpt #: 159 total cpu time spent up to now is 111.2 secs Computing kpt #: 160 total cpu time spent up to now is 111.8 secs Computing kpt #: 161 total cpu time spent up to now is 112.5 secs Computing kpt #: 162 total cpu time spent up to now is 113.2 secs Computing kpt #: 163 total cpu time spent up to now is 113.8 secs Computing kpt #: 164 total cpu time spent up to now is 114.5 secs Computing kpt #: 165 total cpu time spent up to now is 115.2 secs Computing kpt #: 166 total cpu time spent up to now is 115.8 secs Computing kpt #: 167 total cpu time spent up to now is 116.4 secs Computing kpt #: 168 total cpu time spent up to now is 117.0 secs Computing kpt #: 169 total cpu time spent up to now is 117.6 secs Computing kpt #: 170 total cpu time spent up to now is 118.2 secs Computing kpt #: 171 total cpu time spent up to now is 118.8 secs Computing kpt #: 172 total cpu time spent up to now is 119.4 secs Computing kpt #: 173 total cpu time spent up to now is 120.0 secs Computing kpt #: 174 total cpu time spent up to now is 120.6 secs Computing kpt #: 175 total cpu time spent up to now is 121.1 secs Computing kpt #: 176 total cpu time spent up to now is 121.7 secs Computing kpt #: 177 total cpu time spent up to now is 122.3 secs Computing kpt #: 178 total cpu time spent up to now is 122.9 secs Computing kpt #: 179 total cpu time spent up to now is 123.4 secs Computing kpt #: 180 total cpu time spent up to now is 124.0 secs Computing kpt #: 181 total cpu time spent up to now is 124.6 secs Computing kpt #: 182 total cpu time spent up to now is 125.2 secs Computing kpt #: 183 total cpu time spent up to now is 125.7 secs Computing kpt #: 184 total cpu time spent up to now is 126.3 secs Computing kpt #: 185 total cpu time spent up to now is 126.8 secs Computing kpt #: 186 total cpu time spent up to now is 127.5 secs Computing kpt #: 187 total cpu time spent up to now is 128.1 secs Computing kpt #: 188 total cpu time spent up to now is 128.7 secs Computing kpt #: 189 total cpu time spent up to now is 129.4 secs Computing kpt #: 190 total cpu time spent up to now is 130.0 secs Computing kpt #: 191 total cpu time spent up to now is 130.6 secs Computing kpt #: 192 total cpu time spent up to now is 131.2 secs Computing kpt #: 193 total cpu time spent up to now is 131.9 secs Computing kpt #: 194 total cpu time spent up to now is 132.6 secs Computing kpt #: 195 total cpu time spent up to now is 133.2 secs Computing kpt #: 196 total cpu time spent up to now is 133.8 secs Computing kpt #: 197 total cpu time spent up to now is 134.5 secs Computing kpt #: 198 total cpu time spent up to now is 135.1 secs Computing kpt #: 199 total cpu time spent up to now is 135.7 secs Computing kpt #: 200 total cpu time spent up to now is 136.3 secs Computing kpt #: 201 total cpu time spent up to now is 137.0 secs Computing kpt #: 202 total cpu time spent up to now is 137.6 secs Computing kpt #: 203 total cpu time spent up to now is 138.2 secs Computing kpt #: 204 total cpu time spent up to now is 138.8 secs Computing kpt #: 205 total cpu time spent up to now is 139.4 secs Computing kpt #: 206 total cpu time spent up to now is 140.0 secs Computing kpt #: 207 total cpu time spent up to now is 140.7 secs Computing kpt #: 208 total cpu time spent up to now is 141.4 secs Computing kpt #: 209 total cpu time spent up to now is 142.0 secs Computing kpt #: 210 total cpu time spent up to now is 142.6 secs Computing kpt #: 211 total cpu time spent up to now is 143.3 secs Computing kpt #: 212 total cpu time spent up to now is 144.0 secs Computing kpt #: 213 total cpu time spent up to now is 144.6 secs Computing kpt #: 214 total cpu time spent up to now is 145.3 secs Computing kpt #: 215 total cpu time spent up to now is 145.9 secs Computing kpt #: 216 total cpu time spent up to now is 146.6 secs Computing kpt #: 217 total cpu time spent up to now is 147.2 secs Computing kpt #: 218 total cpu time spent up to now is 147.8 secs Computing kpt #: 219 total cpu time spent up to now is 148.4 secs Computing kpt #: 220 total cpu time spent up to now is 149.0 secs Computing kpt #: 221 total cpu time spent up to now is 149.6 secs Computing kpt #: 222 total cpu time spent up to now is 150.2 secs Computing kpt #: 223 total cpu time spent up to now is 150.8 secs Computing kpt #: 224 total cpu time spent up to now is 151.3 secs Computing kpt #: 225 total cpu time spent up to now is 151.9 secs Computing kpt #: 226 total cpu time spent up to now is 152.5 secs Computing kpt #: 227 total cpu time spent up to now is 153.0 secs Computing kpt #: 228 total cpu time spent up to now is 153.6 secs Computing kpt #: 229 total cpu time spent up to now is 154.2 secs Computing kpt #: 230 total cpu time spent up to now is 154.7 secs Computing kpt #: 231 total cpu time spent up to now is 155.3 secs Computing kpt #: 232 total cpu time spent up to now is 155.9 secs Computing kpt #: 233 total cpu time spent up to now is 156.5 secs Computing kpt #: 234 total cpu time spent up to now is 157.1 secs Computing kpt #: 235 total cpu time spent up to now is 157.7 secs Computing kpt #: 236 total cpu time spent up to now is 158.3 secs Computing kpt #: 237 total cpu time spent up to now is 158.9 secs Computing kpt #: 238 total cpu time spent up to now is 159.6 secs Computing kpt #: 239 total cpu time spent up to now is 160.2 secs Computing kpt #: 240 total cpu time spent up to now is 160.8 secs Computing kpt #: 241 total cpu time spent up to now is 161.4 secs Computing kpt #: 242 total cpu time spent up to now is 162.0 secs Computing kpt #: 243 total cpu time spent up to now is 162.7 secs Computing kpt #: 244 total cpu time spent up to now is 163.3 secs Computing kpt #: 245 total cpu time spent up to now is 164.0 secs Computing kpt #: 246 total cpu time spent up to now is 164.6 secs Computing kpt #: 247 total cpu time spent up to now is 165.2 secs Computing kpt #: 248 total cpu time spent up to now is 165.8 secs Computing kpt #: 249 total cpu time spent up to now is 166.4 secs Computing kpt #: 250 total cpu time spent up to now is 167.0 secs Computing kpt #: 251 total cpu time spent up to now is 167.6 secs Computing kpt #: 252 total cpu time spent up to now is 168.3 secs Computing kpt #: 253 total cpu time spent up to now is 168.9 secs Computing kpt #: 254 total cpu time spent up to now is 169.5 secs Computing kpt #: 255 total cpu time spent up to now is 170.1 secs Computing kpt #: 256 total cpu time spent up to now is 170.8 secs Computing kpt #: 257 total cpu time spent up to now is 171.3 secs Computing kpt #: 258 total cpu time spent up to now is 171.9 secs Computing kpt #: 259 total cpu time spent up to now is 172.5 secs Computing kpt #: 260 total cpu time spent up to now is 173.1 secs Computing kpt #: 261 total cpu time spent up to now is 173.6 secs Computing kpt #: 262 total cpu time spent up to now is 174.3 secs Computing kpt #: 263 total cpu time spent up to now is 174.9 secs Computing kpt #: 264 total cpu time spent up to now is 175.5 secs Computing kpt #: 265 total cpu time spent up to now is 176.0 secs Computing kpt #: 266 total cpu time spent up to now is 176.7 secs Computing kpt #: 267 total cpu time spent up to now is 177.2 secs Computing kpt #: 268 total cpu time spent up to now is 177.8 secs Computing kpt #: 269 total cpu time spent up to now is 178.4 secs Computing kpt #: 270 total cpu time spent up to now is 179.0 secs Computing kpt #: 271 total cpu time spent up to now is 179.6 secs Computing kpt #: 272 total cpu time spent up to now is 180.2 secs Computing kpt #: 273 total cpu time spent up to now is 180.8 secs Computing kpt #: 274 total cpu time spent up to now is 181.4 secs Computing kpt #: 275 total cpu time spent up to now is 182.0 secs Computing kpt #: 276 total cpu time spent up to now is 182.7 secs Computing kpt #: 277 total cpu time spent up to now is 183.3 secs Computing kpt #: 278 total cpu time spent up to now is 184.0 secs Computing kpt #: 279 total cpu time spent up to now is 184.6 secs Computing kpt #: 280 total cpu time spent up to now is 185.2 secs Computing kpt #: 281 total cpu time spent up to now is 185.8 secs Computing kpt #: 282 total cpu time spent up to now is 186.4 secs Computing kpt #: 283 total cpu time spent up to now is 187.0 secs Computing kpt #: 284 total cpu time spent up to now is 187.7 secs Computing kpt #: 285 total cpu time spent up to now is 188.4 secs Computing kpt #: 286 total cpu time spent up to now is 189.0 secs Computing kpt #: 287 total cpu time spent up to now is 189.6 secs Computing kpt #: 288 total cpu time spent up to now is 190.3 secs Computing kpt #: 289 total cpu time spent up to now is 190.9 secs Computing kpt #: 290 total cpu time spent up to now is 191.6 secs Computing kpt #: 291 total cpu time spent up to now is 192.2 secs Computing kpt #: 292 total cpu time spent up to now is 192.9 secs Computing kpt #: 293 total cpu time spent up to now is 193.5 secs Computing kpt #: 294 total cpu time spent up to now is 194.2 secs Computing kpt #: 295 total cpu time spent up to now is 194.8 secs Computing kpt #: 296 total cpu time spent up to now is 195.4 secs Computing kpt #: 297 total cpu time spent up to now is 196.1 secs Computing kpt #: 298 total cpu time spent up to now is 196.8 secs Computing kpt #: 299 total cpu time spent up to now is 197.5 secs Computing kpt #: 300 total cpu time spent up to now is 198.2 secs Computing kpt #: 301 total cpu time spent up to now is 198.9 secs Computing kpt #: 302 total cpu time spent up to now is 199.6 secs Computing kpt #: 303 total cpu time spent up to now is 200.3 secs Computing kpt #: 304 total cpu time spent up to now is 201.0 secs Computing kpt #: 305 total cpu time spent up to now is 201.7 secs Computing kpt #: 306 total cpu time spent up to now is 202.4 secs Computing kpt #: 307 total cpu time spent up to now is 203.1 secs Computing kpt #: 308 total cpu time spent up to now is 203.9 secs Computing kpt #: 309 total cpu time spent up to now is 204.7 secs Computing kpt #: 310 total cpu time spent up to now is 205.4 secs ethr = 3.13E-08, avg # of iterations = 18.3 total cpu time spent up to now is 205.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9505 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6057 -9.6057 -9.6057 -9.6057 -7.0880 -7.0880 -7.0535 -7.0535 -7.0535 -7.0535 -1.5309 -1.5309 -1.0241 -1.0241 -1.0241 -1.0241 -0.4334 -0.4334 -0.3085 -0.3085 -0.3085 -0.3085 8.1211 8.1211 8.1568 8.1568 9.7501 9.7501 9.7501 9.7501 10.5049 10.5049 10.6621 10.6621 10.6621 10.6621 k = 0.0109-0.0063 0.0089 ( 9509 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6058 -9.6058 -9.6056 -9.6056 -7.0880 -7.0880 -7.0536 -7.0536 -7.0533 -7.0533 -1.5304 -1.5304 -1.0246 -1.0246 -1.0232 -1.0232 -0.4332 -0.4332 -0.3090 -0.3090 -0.3079 -0.3079 8.0573 8.0573 8.2075 8.2075 9.7230 9.7230 9.7506 9.7506 10.5228 10.5228 10.6700 10.6700 10.6758 10.6758 k = 0.0217-0.0126 0.0177 ( 9505 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6058 -9.6058 -9.6056 -9.6056 -7.0880 -7.0880 -7.0537 -7.0537 -7.0531 -7.0531 -1.5288 -1.5288 -1.0247 -1.0247 -1.0217 -1.0217 -0.4326 -0.4326 -0.3095 -0.3095 -0.3072 -0.3072 7.9688 7.9688 8.2569 8.2569 9.6512 9.6512 9.7535 9.7535 10.5538 10.5538 10.7056 10.7056 10.7170 10.7170 k = 0.0326-0.0188 0.0266 ( 9489 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6058 -9.6058 -9.6055 -9.6055 -7.0879 -7.0879 -7.0539 -7.0539 -7.0529 -7.0529 -1.5262 -1.5262 -1.0246 -1.0246 -1.0194 -1.0194 -0.4315 -0.4315 -0.3099 -0.3099 -0.3064 -0.3064 7.8716 7.8716 8.2881 8.2881 9.5518 9.5518 9.7626 9.7626 10.5643 10.5643 10.7705 10.7705 10.7973 10.7973 k = 0.0435-0.0251 0.0355 ( 9489 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6059 -9.6059 -9.6054 -9.6054 -7.0878 -7.0878 -7.0540 -7.0540 -7.0527 -7.0527 -1.5226 -1.5226 -1.0244 -1.0244 -1.0163 -1.0163 -0.4301 -0.4301 -0.3103 -0.3103 -0.3054 -0.3054 7.7681 7.7681 8.2987 8.2987 9.4376 9.4376 9.7817 9.7817 10.5570 10.5570 10.8489 10.8489 10.9131 10.9131 k = 0.0543-0.0314 0.0444 ( 9485 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6059 -9.6059 -9.6052 -9.6052 -7.0877 -7.0877 -7.0540 -7.0540 -7.0525 -7.0525 -1.5181 -1.5181 -1.0240 -1.0240 -1.0124 -1.0124 -0.4282 -0.4282 -0.3107 -0.3107 -0.3042 -0.3042 7.6599 7.6599 8.2883 8.2883 9.3158 9.3158 9.8127 9.8127 10.5411 10.5411 10.9396 10.9396 11.0457 11.0457 k = 0.0652-0.0377 0.0532 ( 9501 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6059 -9.6059 -9.6051 -9.6051 -7.0876 -7.0876 -7.0541 -7.0541 -7.0522 -7.0522 -1.5127 -1.5127 -1.0235 -1.0235 -1.0076 -1.0076 -0.4260 -0.4260 -0.3111 -0.3111 -0.3028 -0.3028 7.5480 7.5480 8.2580 8.2580 9.1906 9.1906 9.8554 9.8554 10.5214 10.5214 11.0395 11.0395 11.1868 11.1868 k = 0.0761-0.0439 0.0621 ( 9497 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6059 -9.6059 -9.6050 -9.6050 -7.0875 -7.0875 -7.0541 -7.0541 -7.0520 -7.0520 -1.5065 -1.5065 -1.0230 -1.0230 -1.0018 -1.0018 -0.4233 -0.4233 -0.3116 -0.3116 -0.3011 -0.3011 7.4332 7.4332 8.2106 8.2106 9.0640 9.0640 9.9065 9.9065 10.5011 10.5011 11.1458 11.1458 11.3323 11.3323 k = 0.0870-0.0502 0.0710 ( 9505 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6058 -9.6058 -9.6049 -9.6049 -7.0873 -7.0873 -7.0542 -7.0542 -7.0517 -7.0517 -1.4996 -1.4996 -1.0223 -1.0223 -0.9951 -0.9951 -0.4201 -0.4201 -0.3120 -0.3120 -0.2992 -0.2992 7.3161 7.3161 8.1492 8.1492 8.9374 8.9374 9.9607 9.9607 10.4838 10.4838 11.2563 11.2563 11.4791 11.4791 k = 0.0978-0.0565 0.0799 ( 9517 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6058 -9.6058 -9.6047 -9.6047 -7.0872 -7.0872 -7.0542 -7.0542 -7.0515 -7.0515 -1.4921 -1.4921 -1.0215 -1.0215 -0.9873 -0.9873 -0.4165 -0.4165 -0.3124 -0.3124 -0.2969 -0.2969 7.1971 7.1971 8.0768 8.0768 8.8117 8.8117 10.0105 10.0105 10.4738 10.4738 11.3690 11.3690 11.6121 11.6121 k = 0.1087-0.0628 0.0887 ( 9517 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6058 -9.6058 -9.6046 -9.6046 -7.0870 -7.0870 -7.0542 -7.0542 -7.0512 -7.0512 -1.4841 -1.4841 -1.0207 -1.0207 -0.9784 -0.9784 -0.4125 -0.4125 -0.3128 -0.3128 -0.2942 -0.2942 7.0766 7.0766 7.9964 7.9964 8.6874 8.6874 10.0470 10.0470 10.4760 10.4760 11.4826 11.4826 11.5398 11.5398 k = 0.1196-0.0690 0.0976 ( 9533 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6057 -9.6057 -9.6044 -9.6044 -7.0868 -7.0868 -7.0542 -7.0542 -7.0509 -7.0509 -1.4758 -1.4758 -1.0198 -1.0198 -0.9685 -0.9685 -0.4081 -0.4081 -0.3132 -0.3132 -0.2911 -0.2911 6.9549 6.9549 7.9100 7.9100 8.5649 8.5649 10.0632 10.0632 10.4918 10.4918 11.4512 11.4512 11.5967 11.5967 k = 0.1304-0.0753 0.1065 ( 9541 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6057 -9.6057 -9.6043 -9.6043 -7.0866 -7.0866 -7.0541 -7.0541 -7.0506 -7.0506 -1.4672 -1.4672 -1.0188 -1.0188 -0.9574 -0.9574 -0.4032 -0.4032 -0.3136 -0.3136 -0.2873 -0.2873 6.8321 6.8321 7.8196 7.8196 8.4445 8.4445 10.0586 10.0586 10.5143 10.5143 11.3809 11.3809 11.7098 11.7098 k = 0.1413-0.0816 0.1154 ( 9525 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6056 -9.6056 -9.6041 -9.6041 -7.0863 -7.0863 -7.0541 -7.0541 -7.0502 -7.0502 -1.4585 -1.4585 -1.0177 -1.0177 -0.9452 -0.9452 -0.3980 -0.3980 -0.3140 -0.3140 -0.2828 -0.2828 6.7083 6.7083 7.7265 7.7265 8.3264 8.3264 10.0374 10.0374 10.5296 10.5296 11.3386 11.3386 11.8223 11.8223 k = 0.1522-0.0879 0.1242 ( 9533 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6055 -9.6055 -9.6039 -9.6039 -7.0861 -7.0861 -7.0540 -7.0540 -7.0499 -7.0499 -1.4497 -1.4497 -1.0166 -1.0166 -0.9319 -0.9319 -0.3925 -0.3925 -0.3143 -0.3143 -0.2775 -0.2775 6.5839 6.5839 7.6319 7.6319 8.2107 8.2107 10.0047 10.0047 10.5243 10.5243 11.3328 11.3328 11.9343 11.9343 k = 0.1630-0.0941 0.1331 ( 9521 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6054 -9.6054 -9.6038 -9.6038 -7.0858 -7.0858 -7.0539 -7.0539 -7.0496 -7.0496 -1.4411 -1.4411 -1.0154 -1.0154 -0.9175 -0.9175 -0.3867 -0.3867 -0.3146 -0.3146 -0.2712 -0.2712 6.4587 6.4587 7.5366 7.5366 8.0977 8.0977 9.9643 9.9643 10.4932 10.4932 11.3652 11.3652 12.0463 12.0463 k = 0.1739-0.1004 0.1420 ( 9521 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6053 -9.6053 -9.6036 -9.6036 -7.0856 -7.0856 -7.0538 -7.0538 -7.0492 -7.0492 -1.4327 -1.4327 -1.0142 -1.0142 -0.9022 -0.9022 -0.3808 -0.3808 -0.3148 -0.3148 -0.2636 -0.2636 6.3331 6.3331 7.4413 7.4413 7.9873 7.9873 9.9183 9.9183 10.4405 10.4405 11.4292 11.4292 12.1592 12.1592 k = 0.1848-0.1067 0.1509 ( 9513 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6052 -9.6052 -9.6034 -9.6034 -7.0853 -7.0853 -7.0537 -7.0537 -7.0488 -7.0488 -1.4246 -1.4246 -1.0129 -1.0129 -0.8860 -0.8860 -0.3749 -0.3749 -0.3149 -0.3149 -0.2545 -0.2545 6.2070 6.2070 7.3467 7.3467 7.8798 7.8798 9.8680 9.8680 10.3744 10.3744 11.5153 11.5153 12.2738 12.2738 k = 0.1957-0.1130 0.1597 ( 9513 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6051 -9.6051 -9.6032 -9.6032 -7.0851 -7.0851 -7.0536 -7.0536 -7.0485 -7.0485 -1.4168 -1.4168 -1.0116 -1.0116 -0.8692 -0.8692 -0.3690 -0.3690 -0.3149 -0.3149 -0.2436 -0.2436 6.0805 6.0805 7.2530 7.2530 7.7752 7.7752 9.8141 9.8141 10.3021 10.3021 11.6154 11.6154 12.3911 12.3911 k = 0.2065-0.1192 0.1686 ( 9521 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6050 -9.6050 -9.6030 -9.6030 -7.0848 -7.0848 -7.0534 -7.0534 -7.0481 -7.0481 -1.4095 -1.4095 -1.0102 -1.0102 -0.8517 -0.8517 -0.3635 -0.3635 -0.3147 -0.3147 -0.2306 -0.2306 5.9539 5.9539 7.1608 7.1608 7.6736 7.6736 9.7569 9.7569 10.2285 10.2285 11.7241 11.7241 12.5119 12.5119 k = 0.2174-0.1255 0.1775 ( 9521 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6048 -9.6048 -9.6029 -9.6029 -7.0845 -7.0845 -7.0533 -7.0533 -7.0477 -7.0477 -1.4026 -1.4026 -1.0089 -1.0089 -0.8340 -0.8340 -0.3583 -0.3583 -0.3143 -0.3143 -0.2153 -0.2153 5.8272 5.8272 7.0704 7.0704 7.5751 7.5751 9.6968 9.6968 10.1567 10.1567 11.8377 11.8377 12.6372 12.6372 k = 0.2283-0.1318 0.1864 ( 9521 PWs) bands (ev): -38.8356 -38.8356 -38.6993 -38.6993 -9.6047 -9.6047 -9.6027 -9.6027 -7.0842 -7.0842 -7.0532 -7.0532 -7.0473 -7.0473 -1.3961 -1.3961 -1.0075 -1.0075 -0.8161 -0.8161 -0.3536 -0.3536 -0.3138 -0.3138 -0.1974 -0.1974 5.7006 5.7006 6.9819 6.9819 7.4797 7.4797 9.6342 9.6342 10.0885 10.0885 11.9538 11.9538 12.7675 12.7675 k = 0.2391-0.1381 0.1952 ( 9513 PWs) bands (ev): -38.8356 -38.8356 -38.6993 -38.6993 -9.6046 -9.6046 -9.6025 -9.6025 -7.0840 -7.0840 -7.0530 -7.0530 -7.0469 -7.0469 -1.3902 -1.3902 -1.0061 -1.0061 -0.7983 -0.7983 -0.3495 -0.3495 -0.3129 -0.3129 -0.1767 -0.1767 5.5743 5.5743 6.8958 6.8958 7.3875 7.3875 9.5696 9.5696 10.0248 10.0248 12.0710 12.0710 12.9033 12.9033 k = 0.2500-0.1443 0.2041 ( 9493 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6044 -9.6044 -9.6023 -9.6023 -7.0837 -7.0837 -7.0529 -7.0529 -7.0465 -7.0465 -1.3847 -1.3847 -1.0047 -1.0047 -0.7809 -0.7809 -0.3459 -0.3459 -0.3118 -0.3118 -0.1531 -0.1531 5.4484 5.4484 6.8120 6.8120 7.2986 7.2986 9.5037 9.5037 9.9660 9.9660 12.1883 12.1883 13.0447 13.0447 k = 0.2609-0.1506 0.2130 ( 9493 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6043 -9.6043 -9.6021 -9.6021 -7.0834 -7.0834 -7.0527 -7.0527 -7.0461 -7.0461 -1.3797 -1.3797 -1.0033 -1.0033 -0.7639 -0.7639 -0.3430 -0.3430 -0.3104 -0.3104 -0.1266 -0.1266 5.3231 5.3231 6.7309 6.7309 7.2130 7.2130 9.4373 9.4373 9.9119 9.9119 12.3053 12.3053 13.1915 13.1915 k = 0.2717-0.1569 0.2219 ( 9497 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6041 -9.6041 -9.6020 -9.6020 -7.0832 -7.0832 -7.0526 -7.0526 -7.0456 -7.0456 -1.3752 -1.3752 -1.0019 -1.0019 -0.7477 -0.7477 -0.3406 -0.3406 -0.3087 -0.3087 -0.0972 -0.0972 5.1987 5.1987 6.6526 6.6526 7.1307 7.1307 9.3710 9.3710 9.8623 9.8623 12.4217 12.4217 13.3300 13.3300 k = 0.2826-0.1632 0.2307 ( 9501 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6040 -9.6040 -9.6018 -9.6018 -7.0829 -7.0829 -7.0525 -7.0525 -7.0452 -7.0452 -1.3711 -1.3711 -1.0005 -1.0005 -0.7324 -0.7324 -0.3386 -0.3386 -0.3068 -0.3068 -0.0648 -0.0648 5.0753 5.0753 6.5772 6.5772 7.0519 7.0519 9.3057 9.3057 9.8167 9.8167 12.5375 12.5375 13.4301 13.4301 k = 0.2935-0.1694 0.2396 ( 9505 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6038 -9.6038 -9.6016 -9.6016 -7.0827 -7.0827 -7.0523 -7.0523 -7.0448 -7.0448 -1.3674 -1.3674 -0.9991 -0.9991 -0.7179 -0.7179 -0.3371 -0.3371 -0.3046 -0.3046 -0.0297 -0.0297 4.9533 4.9533 6.5048 6.5048 6.9765 6.9765 9.2419 9.2419 9.7748 9.7748 12.6527 12.6527 13.5306 13.5306 k = 0.3043-0.1757 0.2485 ( 9505 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6037 -9.6037 -9.6015 -9.6015 -7.0824 -7.0824 -7.0522 -7.0522 -7.0444 -7.0444 -1.3640 -1.3640 -0.9978 -0.9978 -0.7045 -0.7045 -0.3359 -0.3359 -0.3023 -0.3023 0.0080 0.0080 4.8329 4.8329 6.4356 6.4356 6.9047 6.9047 9.1802 9.1802 9.7361 9.7361 12.7676 12.7676 13.6335 13.6335 k = 0.3152-0.1820 0.2574 ( 9493 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6035 -9.6035 -9.6013 -9.6013 -7.0822 -7.0822 -7.0521 -7.0521 -7.0440 -7.0440 -1.3611 -1.3611 -0.9965 -0.9965 -0.6921 -0.6921 -0.3349 -0.3349 -0.2999 -0.2999 0.0480 0.0480 4.7145 4.7145 6.3696 6.3696 6.8364 6.8364 9.1210 9.1210 9.7005 9.7005 12.8823 12.8823 13.7389 13.7389 k = 0.3261-0.1883 0.2662 ( 9481 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6034 -9.6034 -9.6012 -9.6012 -7.0819 -7.0819 -7.0519 -7.0519 -7.0435 -7.0435 -1.3584 -1.3584 -0.9953 -0.9953 -0.6808 -0.6808 -0.3341 -0.3341 -0.2975 -0.2975 0.0902 0.0902 4.5984 4.5984 6.3070 6.3070 6.7718 6.7718 9.0645 9.0645 9.6676 9.6676 12.9969 12.9969 13.8469 13.8469 k = 0.3370-0.1945 0.2751 ( 9493 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6032 -9.6032 -9.6010 -9.6010 -7.0817 -7.0817 -7.0518 -7.0518 -7.0431 -7.0431 -1.3560 -1.3560 -0.9941 -0.9941 -0.6705 -0.6705 -0.3335 -0.3335 -0.2950 -0.2950 0.1340 0.1340 4.4849 4.4849 6.2478 6.2478 6.7108 6.7108 9.0111 9.0111 9.6373 9.6373 13.1116 13.1116 13.9574 13.9574 k = 0.3478-0.2008 0.2840 ( 9489 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6031 -9.6031 -9.6009 -9.6009 -7.0815 -7.0815 -7.0517 -7.0517 -7.0428 -7.0428 -1.3539 -1.3539 -0.9930 -0.9930 -0.6612 -0.6612 -0.3329 -0.3329 -0.2926 -0.2926 0.1793 0.1793 4.3744 4.3744 6.1921 6.1921 6.6536 6.6536 8.9608 8.9608 9.6093 9.6093 13.2262 13.2262 14.0705 14.0705 k = 0.3587-0.2071 0.2929 ( 9497 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6030 -9.6030 -9.6008 -9.6008 -7.0813 -7.0813 -7.0516 -7.0516 -7.0424 -7.0424 -1.3521 -1.3521 -0.9919 -0.9919 -0.6527 -0.6527 -0.3324 -0.3324 -0.2902 -0.2902 0.2255 0.2255 4.2675 4.2675 6.1399 6.1399 6.6001 6.6001 8.9138 8.9138 9.5836 9.5836 13.3408 13.3408 14.1862 14.1862 k = 0.3696-0.2134 0.3017 ( 9493 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6028 -9.6028 -9.6007 -9.6007 -7.0811 -7.0811 -7.0515 -7.0515 -7.0420 -7.0420 -1.3505 -1.3505 -0.9908 -0.9908 -0.6452 -0.6452 -0.3320 -0.3320 -0.2879 -0.2879 0.2722 0.2722 4.1645 4.1645 6.0914 6.0914 6.5504 6.5504 8.8702 8.8702 9.5601 9.5601 13.4553 13.4553 14.3042 14.3042 k = 0.3804-0.2196 0.3106 ( 9501 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6027 -9.6027 -9.6005 -9.6005 -7.0810 -7.0810 -7.0514 -7.0514 -7.0417 -7.0417 -1.3491 -1.3491 -0.9899 -0.9899 -0.6385 -0.6385 -0.3316 -0.3316 -0.2857 -0.2857 0.3189 0.3189 4.0660 4.0660 6.0465 6.0465 6.5045 6.5045 8.8301 8.8301 9.5386 9.5386 13.5693 13.5693 14.4246 14.4246 k = 0.3913-0.2259 0.3195 ( 9505 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6026 -9.6026 -9.6005 -9.6005 -7.0808 -7.0808 -7.0514 -7.0514 -7.0414 -7.0414 -1.3478 -1.3478 -0.9890 -0.9890 -0.6326 -0.6326 -0.3313 -0.3313 -0.2836 -0.2836 0.3649 0.3649 3.9726 3.9726 6.0054 6.0054 6.4625 6.4625 8.7934 8.7934 9.5192 9.5192 13.6824 13.6824 14.5472 14.5472 k = 0.4022-0.2322 0.3284 ( 9505 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6025 -9.6025 -9.6004 -9.6004 -7.0806 -7.0806 -7.0513 -7.0513 -7.0411 -7.0411 -1.3468 -1.3468 -0.9882 -0.9882 -0.6273 -0.6273 -0.3310 -0.3310 -0.2816 -0.2816 0.4098 0.4098 3.8848 3.8848 5.9680 5.9680 6.4244 6.4244 8.7602 8.7602 9.5018 9.5018 13.7942 13.7942 14.6717 14.6717 k = 0.4130-0.2385 0.3372 ( 9505 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6024 -9.6024 -9.6003 -9.6003 -7.0805 -7.0805 -7.0512 -7.0512 -7.0408 -7.0408 -1.3459 -1.3459 -0.9875 -0.9875 -0.6228 -0.6228 -0.3307 -0.3307 -0.2798 -0.2798 0.4528 0.4528 3.8034 3.8034 5.9345 5.9345 6.3902 6.3902 8.7305 8.7305 9.4862 9.4862 13.9037 13.9037 14.7978 14.7978 k = 0.4239-0.2447 0.3461 ( 9521 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6023 -9.6023 -9.6002 -9.6002 -7.0804 -7.0804 -7.0512 -7.0512 -7.0406 -7.0406 -1.3451 -1.3451 -0.9868 -0.9868 -0.6189 -0.6189 -0.3305 -0.3305 -0.2782 -0.2782 0.4932 0.4932 3.7290 3.7290 5.9048 5.9048 6.3599 6.3599 8.7044 8.7044 9.4726 9.4726 14.0099 14.0099 14.9251 14.9251 k = 0.4348-0.2510 0.3550 ( 9512 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6022 -9.6022 -9.6001 -9.6001 -7.0803 -7.0803 -7.0511 -7.0511 -7.0404 -7.0404 -1.3444 -1.3444 -0.9862 -0.9862 -0.6155 -0.6155 -0.3302 -0.3302 -0.2767 -0.2767 0.5303 0.5303 3.6625 3.6625 5.8790 5.8790 6.3337 6.3337 8.6817 8.6817 9.4608 9.4608 14.1113 14.1113 15.0529 15.0529 k = 0.4457-0.2573 0.3639 ( 9500 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6022 -9.6022 -9.6001 -9.6001 -7.0802 -7.0802 -7.0511 -7.0511 -7.0402 -7.0402 -1.3439 -1.3439 -0.9858 -0.9858 -0.6128 -0.6128 -0.3301 -0.3301 -0.2755 -0.2755 0.5634 0.5634 3.6044 3.6044 5.8572 5.8572 6.3114 6.3114 8.6626 8.6626 9.4509 9.4509 14.2058 14.2058 15.1798 15.1798 k = 0.4565-0.2636 0.3727 ( 9504 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6021 -9.6021 -9.6000 -9.6000 -7.0801 -7.0801 -7.0511 -7.0511 -7.0400 -7.0400 -1.3435 -1.3435 -0.9854 -0.9854 -0.6105 -0.6105 -0.3299 -0.3299 -0.2745 -0.2745 0.5917 0.5917 3.5557 3.5557 5.8392 5.8392 6.2932 6.2932 8.6469 8.6469 9.4428 9.4428 14.2910 14.2910 15.3039 15.3039 k = 0.4674-0.2698 0.3816 ( 9512 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6021 -9.6021 -9.6000 -9.6000 -7.0800 -7.0800 -7.0510 -7.0510 -7.0399 -7.0399 -1.3432 -1.3432 -0.9850 -0.9850 -0.6088 -0.6088 -0.3298 -0.3298 -0.2736 -0.2736 0.6146 0.6146 3.5170 3.5170 5.8253 5.8253 6.2790 6.2790 8.6347 8.6347 9.4365 9.4365 14.3634 14.3634 15.4214 15.4214 k = 0.4783-0.2761 0.3905 ( 9520 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6020 -9.6020 -9.6000 -9.6000 -7.0800 -7.0800 -7.0510 -7.0510 -7.0398 -7.0398 -1.3429 -1.3429 -0.9848 -0.9848 -0.6076 -0.6076 -0.3297 -0.3297 -0.2731 -0.2731 0.6314 0.6314 3.4888 3.4888 5.8153 5.8153 6.2688 6.2688 8.6260 8.6260 9.4320 9.4320 14.4192 14.4192 15.5249 15.5249 k = 0.4891-0.2824 0.3994 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6020 -9.6020 -9.6000 -9.6000 -7.0800 -7.0800 -7.0510 -7.0510 -7.0398 -7.0398 -1.3428 -1.3428 -0.9847 -0.9847 -0.6069 -0.6069 -0.3296 -0.3296 -0.2727 -0.2727 0.6417 0.6417 3.4717 3.4717 5.8093 5.8093 6.2627 6.2627 8.6208 8.6208 9.4294 9.4294 14.4547 14.4547 15.6010 15.6010 k = 0.5000-0.2887 0.4082 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6020 -9.6020 -9.6000 -9.6000 -7.0800 -7.0800 -7.0510 -7.0510 -7.0398 -7.0398 -1.3427 -1.3427 -0.9846 -0.9846 -0.6066 -0.6066 -0.3296 -0.3296 -0.2726 -0.2726 0.6451 0.6451 3.4660 3.4660 5.8073 5.8073 6.2607 6.2607 8.6191 8.6191 9.4285 9.4285 14.4669 14.4669 15.6300 15.6300 k = 0.5000-0.2887 0.4082 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6020 -9.6020 -9.6000 -9.6000 -7.0800 -7.0800 -7.0510 -7.0510 -7.0398 -7.0398 -1.3427 -1.3427 -0.9846 -0.9846 -0.6066 -0.6066 -0.3296 -0.3296 -0.2726 -0.2726 0.6451 0.6451 3.4660 3.4660 5.8073 5.8073 6.2607 6.2607 8.6191 8.6191 9.4285 9.4285 14.4669 14.4669 15.6300 15.6300 k = 0.5000-0.2761 0.4171 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6020 -9.6020 -9.6001 -9.5999 -7.0801 -7.0799 -7.0513 -7.0508 -7.0399 -7.0396 -1.3473 -1.3382 -0.9859 -0.9833 -0.6160 -0.5976 -0.3313 -0.3279 -0.2741 -0.2712 0.6422 0.6486 3.4578 3.4753 5.7873 5.8224 6.2538 6.2614 8.6219 8.6286 9.4253 9.4438 14.4506 14.4681 15.6132 15.6194 k = 0.5000-0.2636 0.4260 ( 9532 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6021 -9.6019 -9.6002 -9.5997 -7.0801 -7.0797 -7.0515 -7.0505 -7.0401 -7.0395 -1.3517 -1.3336 -0.9870 -0.9819 -0.6257 -0.5888 -0.3329 -0.3260 -0.2757 -0.2700 0.6399 0.6526 3.4507 3.4856 5.7628 5.8327 6.2411 6.2561 8.6370 8.6504 9.4342 9.4709 14.4193 14.4531 15.5706 15.5854 k = 0.5000-0.2510 0.4349 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6021 -9.6019 -9.6003 -9.5996 -7.0802 -7.0796 -7.0517 -7.0502 -7.0403 -7.0394 -1.3561 -1.3290 -0.9879 -0.9803 -0.6356 -0.5804 -0.3343 -0.3241 -0.2775 -0.2690 0.6382 0.6571 3.4445 3.4970 5.7340 5.8383 6.2229 6.2450 8.6640 8.6839 9.4553 9.5095 14.3720 14.4199 15.5080 15.5359 k = 0.5000-0.2385 0.4437 ( 9524 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6022 -9.6018 -9.6005 -9.5995 -7.0803 -7.0795 -7.0520 -7.0499 -7.0405 -7.0394 -1.3604 -1.3245 -0.9887 -0.9787 -0.6457 -0.5724 -0.3357 -0.3222 -0.2794 -0.2681 0.6371 0.6621 3.4394 3.5094 5.7014 5.8392 6.1998 6.2285 8.7027 8.7287 9.4882 9.5590 14.3075 14.3661 15.4326 15.4804 k = 0.5000-0.2259 0.4526 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6022 -9.6018 -9.6006 -9.5994 -7.0803 -7.0793 -7.0522 -7.0496 -7.0408 -7.0394 -1.3646 -1.3200 -0.9893 -0.9771 -0.6559 -0.5648 -0.3369 -0.3201 -0.2814 -0.2673 0.6366 0.6675 3.4353 3.5228 5.6655 5.8359 6.1725 6.2073 8.7523 8.7842 9.5325 9.6190 14.2246 14.2900 15.3496 15.4270 k = 0.5000-0.2134 0.4615 ( 9530 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6023 -9.6018 -9.6007 -9.5993 -7.0804 -7.0792 -7.0524 -7.0493 -7.0410 -7.0394 -1.3686 -1.3155 -0.9897 -0.9754 -0.6662 -0.5576 -0.3381 -0.3181 -0.2835 -0.2667 0.6366 0.6733 3.4320 3.5372 5.6269 5.8289 6.1417 6.1820 8.8122 8.8495 9.5876 9.6886 14.1232 14.1915 15.2586 15.3782 k = 0.5000-0.2008 0.4704 ( 9530 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6023 -9.6017 -9.6008 -9.5992 -7.0804 -7.0790 -7.0525 -7.0490 -7.0413 -7.0394 -1.3725 -1.3111 -0.9899 -0.9737 -0.6765 -0.5509 -0.3392 -0.3160 -0.2857 -0.2662 0.6371 0.6793 3.4296 3.5524 5.5861 5.8187 6.1085 6.1533 8.8816 8.9239 9.6530 9.7673 14.0043 14.0724 15.1500 15.3045 k = 0.5000-0.1883 0.4792 ( 9538 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6024 -9.6017 -9.6009 -9.5991 -7.0805 -7.0789 -7.0527 -7.0486 -7.0416 -7.0395 -1.3763 -1.3069 -0.9899 -0.9721 -0.6868 -0.5446 -0.3401 -0.3139 -0.2879 -0.2659 0.6381 0.6855 3.4280 3.5685 5.5437 5.8059 6.0734 6.1221 8.9597 9.0066 9.7278 9.8544 13.8701 13.9359 15.0120 15.1398 k = 0.5000-0.1757 0.4881 ( 9542 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6024 -9.6017 -9.6010 -9.5990 -7.0805 -7.0787 -7.0529 -7.0483 -7.0419 -7.0396 -1.3799 -1.3028 -0.9898 -0.9704 -0.6970 -0.5387 -0.3410 -0.3118 -0.2902 -0.2657 0.6395 0.6918 3.4271 3.5852 5.5002 5.7911 6.0373 6.0890 9.0458 9.0968 9.8113 9.9491 13.7235 13.7861 14.8470 14.9498 k = 0.5000-0.1632 0.4970 ( 9534 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6025 -9.6016 -9.6011 -9.5989 -7.0805 -7.0785 -7.0530 -7.0480 -7.0422 -7.0397 -1.3832 -1.2988 -0.9894 -0.9688 -0.7070 -0.5332 -0.3418 -0.3097 -0.2925 -0.2656 0.6412 0.6982 3.4268 3.6024 5.4564 5.7750 6.0010 6.0548 9.1390 9.1938 9.9025 10.0509 13.5677 13.6266 14.6666 14.7551 k = 0.5000-0.1506 0.5059 ( 9534 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6025 -9.6016 -9.6012 -9.5988 -7.0805 -7.0784 -7.0531 -7.0476 -7.0425 -7.0398 -1.3864 -1.2950 -0.9888 -0.9672 -0.7168 -0.5282 -0.3425 -0.3076 -0.2947 -0.2656 0.6432 0.7046 3.4271 3.6200 5.4126 5.7582 5.9651 6.0201 9.2386 9.2967 10.0006 10.1588 13.4057 13.4605 14.4793 14.5593 k = 0.5000-0.1381 0.5147 ( 9518 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6025 -9.6016 -9.6012 -9.5987 -7.0805 -7.0782 -7.0532 -7.0473 -7.0428 -7.0399 -1.3894 -1.2915 -0.9880 -0.9657 -0.7263 -0.5236 -0.3432 -0.3056 -0.2969 -0.2657 0.6455 0.7108 3.4278 3.6379 5.3696 5.7412 5.9301 5.9855 9.3438 9.4049 10.1044 10.2723 13.2400 13.2907 14.2898 14.3642 k = 0.5000-0.1255 0.5236 ( 9518 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6026 -9.6015 -9.6013 -9.5986 -7.0805 -7.0780 -7.0533 -7.0469 -7.0431 -7.0401 -1.3922 -1.2881 -0.9871 -0.9643 -0.7354 -0.5194 -0.3438 -0.3036 -0.2990 -0.2659 0.6478 0.7168 3.4289 3.6557 5.3277 5.7245 5.8966 5.9516 9.4538 9.5174 10.2130 10.3905 13.0730 13.1192 14.1009 14.1710 k = 0.5000-0.1130 0.5325 ( 9510 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6026 -9.6015 -9.6014 -9.5985 -7.0805 -7.0779 -7.0534 -7.0466 -7.0434 -7.0403 -1.3947 -1.2850 -0.9861 -0.9630 -0.7441 -0.5157 -0.3443 -0.3017 -0.3010 -0.2661 0.6502 0.7225 3.4303 3.6732 5.2876 5.7087 5.8650 5.9188 9.5675 9.6333 10.3250 10.5125 12.9068 12.9481 13.9144 13.9810 k = 0.5000-0.1004 0.5414 ( 9508 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6026 -9.6015 -9.6014 -9.5985 -7.0805 -7.0777 -7.0535 -7.0463 -7.0437 -7.0405 -1.3970 -1.2822 -0.9849 -0.9618 -0.7521 -0.5123 -0.3448 -0.3028 -0.2999 -0.2665 0.6526 0.7279 3.4318 3.6902 5.2497 5.6940 5.8358 5.8878 9.6841 9.7517 10.4388 10.6373 12.7436 12.7792 13.7322 13.7953 k = 0.5000-0.0879 0.5502 ( 9512 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6027 -9.6015 -9.6015 -9.5984 -7.0805 -7.0776 -7.0535 -7.0459 -7.0440 -7.0408 -1.3990 -1.2796 -0.9837 -0.9607 -0.7596 -0.5094 -0.3452 -0.3045 -0.2982 -0.2668 0.6549 0.7328 3.4334 3.7064 5.2147 5.6809 5.8093 5.8588 9.8021 9.8711 10.5524 10.7635 12.5857 12.6143 13.5559 13.6152 k = 0.5000-0.0753 0.5591 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6027 -9.6016 -9.6015 -9.5984 -7.0805 -7.0775 -7.0536 -7.0456 -7.0442 -7.0410 -1.4008 -1.2774 -0.9824 -0.9597 -0.7663 -0.5068 -0.3456 -0.3060 -0.2967 -0.2672 0.6571 0.7372 3.4350 3.7214 5.1830 5.6695 5.7858 5.8324 9.9200 9.9899 10.6633 10.8895 12.4359 12.4555 13.3875 13.4427 k = 0.5000-0.0628 0.5680 ( 9530 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6027 -9.6016 -9.6015 -9.5983 -7.0805 -7.0774 -7.0536 -7.0453 -7.0444 -7.0412 -1.4023 -1.2755 -0.9812 -0.9588 -0.7722 -0.5046 -0.3460 -0.3073 -0.2953 -0.2676 0.6590 0.7410 3.4366 3.7349 5.1551 5.6601 5.7655 5.8089 10.0353 10.1057 10.7680 11.0127 12.2976 12.3055 13.2298 13.2800 k = 0.5000-0.0502 0.5769 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6027 -9.6016 -9.6014 -9.5983 -7.0805 -7.0773 -7.0536 -7.0450 -7.0446 -7.0415 -1.4036 -1.2739 -0.9802 -0.9581 -0.7772 -0.5029 -0.3463 -0.3084 -0.2941 -0.2680 0.6607 0.7442 3.4379 3.7465 5.1315 5.6526 5.7486 5.7888 10.1448 10.2149 10.8619 11.1297 12.1680 12.1754 13.0862 13.1309 k = 0.5000-0.0377 0.5857 ( 9518 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6027 -9.6017 -9.6014 -9.5982 -7.0805 -7.0772 -7.0536 -7.0447 -7.0447 -7.0417 -1.4046 -1.2726 -0.9792 -0.9576 -0.7812 -0.5015 -0.3465 -0.3092 -0.2931 -0.2684 0.6621 0.7468 3.4390 3.7560 5.1126 5.6471 5.7353 5.7725 10.2436 10.3127 10.9393 11.2352 12.0480 12.0748 12.9620 13.0004 k = 0.5000-0.0251 0.5946 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6027 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0448 -7.0444 -7.0419 -1.4053 -1.2717 -0.9785 -0.9572 -0.7841 -0.5005 -0.3467 -0.3098 -0.2924 -0.2687 0.6630 0.7486 3.4399 3.7630 5.0989 5.6433 5.7257 5.7604 10.3248 10.3924 10.9952 11.3218 11.9525 12.0012 12.8637 12.8961 k = 0.5000-0.0126 0.6035 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0449 -7.0443 -7.0420 -1.4057 -1.2712 -0.9781 -0.9569 -0.7859 -0.4999 -0.3468 -0.3102 -0.2920 -0.2688 0.6636 0.7497 3.4404 3.7673 5.0905 5.6412 5.7199 5.7530 10.3795 10.4454 11.0273 11.3801 11.8898 11.9576 12.7997 12.8273 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0449 -7.0442 -7.0421 -1.4058 -1.2710 -0.9779 -0.9569 -0.7865 -0.4997 -0.3468 -0.3103 -0.2918 -0.2689 0.6638 0.7501 3.4406 3.7687 5.0877 5.6405 5.7180 5.7504 10.3990 10.4642 11.0374 11.4008 11.8677 11.9434 12.7773 12.8031 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0449 -7.0442 -7.0421 -1.4058 -1.2710 -0.9779 -0.9569 -0.7865 -0.4997 -0.3468 -0.3103 -0.2918 -0.2689 0.6638 0.7501 3.4406 3.7687 5.0877 5.6405 5.7180 5.7504 10.3990 10.4642 11.0374 11.4008 11.8677 11.9434 12.7773 12.8031 k = 0.4926 0.0127 0.6124 ( 9523 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0449 -7.0442 -7.0420 -1.4058 -1.2711 -0.9781 -0.9569 -0.7862 -0.4999 -0.3468 -0.3104 -0.2918 -0.2689 0.6631 0.7494 3.4409 3.7685 5.0874 5.6411 5.7041 5.7729 10.3871 10.4510 11.0353 11.3924 11.8736 11.9565 12.7887 12.8181 k = 0.4853 0.0255 0.6124 ( 9519 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0450 -7.0443 -7.0420 -1.4057 -1.2714 -0.9784 -0.9570 -0.7854 -0.5003 -0.3468 -0.3107 -0.2917 -0.2688 0.6611 0.7473 3.4418 3.7677 5.0860 5.6331 5.7005 5.8124 10.3498 10.4093 11.0337 11.3715 11.8957 11.9925 12.8210 12.8590 k = 0.4779 0.0382 0.6124 ( 9524 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6018 -9.6013 -9.5982 -7.0805 -7.0772 -7.0537 -7.0451 -7.0444 -7.0418 -1.4054 -1.2719 -0.9791 -0.9572 -0.7842 -0.5009 -0.3468 -0.3111 -0.2916 -0.2687 0.6581 0.7442 3.4429 3.7663 5.0826 5.6113 5.7220 5.8591 10.2867 10.3402 11.0366 11.3460 11.9370 12.0450 12.8718 12.9196 k = 0.4706 0.0509 0.6124 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6018 -9.6013 -9.5983 -7.0805 -7.0772 -7.0537 -7.0451 -7.0445 -7.0417 -1.4051 -1.2726 -0.9800 -0.9573 -0.7825 -0.5018 -0.3468 -0.3117 -0.2913 -0.2686 0.6543 0.7402 3.4441 3.7643 5.0770 5.5853 5.7599 5.9116 10.1997 10.2494 11.0442 11.3219 11.9953 12.1100 12.9384 12.9952 k = 0.4632 0.0637 0.6124 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6018 -9.6013 -9.5983 -7.0805 -7.0773 -7.0536 -7.0452 -7.0446 -7.0415 -1.4047 -1.2735 -0.9811 -0.9575 -0.7805 -0.5028 -0.3468 -0.3125 -0.2909 -0.2685 0.6499 0.7356 3.4451 3.7617 5.0696 5.5593 5.8090 5.9691 10.0937 10.1436 11.0544 11.3019 12.0674 12.1852 13.0179 13.0827 k = 0.4559 0.0764 0.6124 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6019 -9.6012 -9.5983 -7.0805 -7.0774 -7.0536 -7.0453 -7.0447 -7.0413 -1.4042 -1.2744 -0.9824 -0.9575 -0.7781 -0.5041 -0.3468 -0.3134 -0.2904 -0.2683 0.6451 0.7306 3.4459 3.7587 5.0606 5.5345 5.8671 6.0306 9.9750 10.0278 11.0650 11.2864 12.1503 12.2692 13.1078 13.1796 k = 0.4485 0.0891 0.6124 ( 9510 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6019 -9.6012 -9.5983 -7.0804 -7.0775 -7.0536 -7.0454 -7.0448 -7.0411 -1.4037 -1.2755 -0.9839 -0.9576 -0.7755 -0.5055 -0.3468 -0.3144 -0.2899 -0.2682 0.6402 0.7254 3.4465 3.7553 5.0506 5.5114 5.9321 6.0952 9.8497 9.9063 11.0747 11.2747 12.2413 12.3609 13.2060 13.2843 k = 0.4412 0.1019 0.6124 ( 9510 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6019 -9.6012 -9.5984 -7.0804 -7.0776 -7.0536 -7.0455 -7.0449 -7.0409 -1.4032 -1.2767 -0.9854 -0.9576 -0.7728 -0.5070 -0.3468 -0.3154 -0.2893 -0.2680 0.6353 0.7202 3.4468 3.7518 5.0403 5.4902 6.0022 6.1617 9.7226 9.7824 11.0829 11.2658 12.3386 12.4592 13.3106 13.3952 k = 0.4338 0.1146 0.6124 ( 9518 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6019 -9.6011 -9.5984 -7.0804 -7.0777 -7.0536 -7.0457 -7.0449 -7.0407 -1.4026 -1.2778 -0.9869 -0.9575 -0.7700 -0.5086 -0.3469 -0.3164 -0.2887 -0.2679 0.6305 0.7151 3.4468 3.7482 5.0300 5.4711 6.0756 6.2287 9.5977 9.6593 11.0894 11.2590 12.4406 12.5630 13.4197 13.5112 k = 0.4265 0.1274 0.6124 ( 9530 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6019 -9.6011 -9.5984 -7.0804 -7.0778 -7.0536 -7.0459 -7.0450 -7.0406 -1.4020 -1.2790 -0.9884 -0.9575 -0.7673 -0.5102 -0.3469 -0.3173 -0.2881 -0.2678 0.6260 0.7102 3.4466 3.7447 5.0201 5.4541 6.1503 6.2945 9.4780 9.5401 11.0943 11.2537 12.5456 12.6710 13.5313 13.6310 k = 0.4191 0.1401 0.6124 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6019 -9.6011 -9.5985 -7.0803 -7.0779 -7.0536 -7.0460 -7.0450 -7.0404 -1.4015 -1.2801 -0.9897 -0.9574 -0.7647 -0.5117 -0.3470 -0.3181 -0.2875 -0.2676 0.6219 0.7057 3.4463 3.7414 5.0110 5.4393 6.2240 6.3574 9.3666 9.4276 11.0979 11.2496 12.6520 12.7819 13.6425 13.7534 k = 0.4118 0.1528 0.6124 ( 9533 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6019 -9.6011 -9.5985 -7.0803 -7.0780 -7.0536 -7.0461 -7.0450 -7.0403 -1.4009 -1.2812 -0.9910 -0.9573 -0.7623 -0.5131 -0.3471 -0.3189 -0.2870 -0.2676 0.6183 0.7018 3.4459 3.7385 5.0030 5.4267 6.2945 6.4151 9.2663 9.3244 11.1005 11.2462 12.7579 12.8938 13.7483 13.8768 k = 0.4044 0.1656 0.6124 ( 9532 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5985 -7.0803 -7.0780 -7.0535 -7.0463 -7.0450 -7.0402 -1.4005 -1.2821 -0.9920 -0.9573 -0.7602 -0.5144 -0.3471 -0.3195 -0.2865 -0.2675 0.6152 0.6984 3.4455 3.7359 4.9961 5.4163 6.3592 6.4654 9.1798 9.2336 11.1022 11.2437 12.8604 13.0040 13.8388 13.9977 k = 0.3971 0.1783 0.6124 ( 9542 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0781 -7.0535 -7.0463 -7.0450 -7.0401 -1.4001 -1.2828 -0.9929 -0.9572 -0.7585 -0.5154 -0.3472 -0.3200 -0.2862 -0.2674 0.6128 0.6957 3.4451 3.7339 4.9907 5.4082 6.4152 6.5061 9.1099 9.1579 11.1033 11.2417 12.9555 13.1082 13.8964 14.1012 k = 0.3897 0.1910 0.6124 ( 9538 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0464 -7.0450 -7.0401 -1.3998 -1.2834 -0.9935 -0.9572 -0.7573 -0.5162 -0.3472 -0.3203 -0.2859 -0.2674 0.6110 0.6937 3.4448 3.7324 4.9867 5.4025 6.4593 6.5355 9.0587 9.1005 11.1040 11.2403 13.0366 13.1989 13.9120 14.0790 k = 0.3824 0.2038 0.6124 ( 9533 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0465 -7.0450 -7.0400 -1.3996 -1.2837 -0.9939 -0.9572 -0.7565 -0.5167 -0.3473 -0.3206 -0.2857 -0.2673 0.6099 0.6926 3.4446 3.7315 4.9843 5.3990 6.4881 6.5527 9.0277 9.0643 11.1043 11.2395 13.0936 13.2638 13.9126 13.9970 k = 0.3750 0.2165 0.6124 ( 9547 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0465 -7.0450 -7.0400 -1.3996 -1.2839 -0.9940 -0.9572 -0.7562 -0.5169 -0.3473 -0.3206 -0.2857 -0.2673 0.6095 0.6921 3.4446 3.7312 4.9835 5.3978 6.4983 6.5583 9.0173 9.0518 11.1044 11.2392 13.1146 13.2880 13.9264 13.9476 k = 0.3750 0.2165 0.6124 ( 9547 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0465 -7.0450 -7.0400 -1.3996 -1.2839 -0.9940 -0.9572 -0.7562 -0.5169 -0.3473 -0.3206 -0.2857 -0.2673 0.6095 0.6921 3.4446 3.7312 4.9835 5.3978 6.4983 6.5583 9.0173 9.0518 11.1044 11.2392 13.1146 13.2880 13.9264 13.9476 k = 0.3673 0.2121 0.5999 ( 9533 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6031 -9.6020 -9.6010 -9.5986 -7.0802 -7.0782 -7.0536 -7.0463 -7.0454 -7.0401 -1.4016 -1.2824 -0.9941 -0.9566 -0.7625 -0.5156 -0.3479 -0.3231 -0.2843 -0.2678 0.5992 0.6852 3.4534 3.7517 4.9533 5.3779 6.5542 6.6120 9.0367 9.0678 11.2803 11.4139 13.0066 13.1830 13.8123 13.8257 k = 0.3597 0.2077 0.5874 ( 9537 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6032 -9.6021 -9.6010 -9.5986 -7.0802 -7.0782 -7.0536 -7.0463 -7.0457 -7.0403 -1.4034 -1.2813 -0.9942 -0.9565 -0.7682 -0.5148 -0.3485 -0.3256 -0.2830 -0.2683 0.5865 0.6757 3.4646 3.7725 4.9318 5.3649 6.6133 6.6691 9.0558 9.0835 11.4542 11.5855 12.9000 13.0790 13.7034 13.7065 k = 0.3520 0.2033 0.5749 ( 9537 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6033 -9.6021 -9.6009 -9.5986 -7.0801 -7.0782 -7.0536 -7.0465 -7.0457 -7.0404 -1.4051 -1.2805 -0.9943 -0.9568 -0.7732 -0.5143 -0.3491 -0.3282 -0.2819 -0.2689 0.5712 0.6635 3.4787 3.7938 4.9194 5.3588 6.6753 6.7294 9.0749 9.0991 11.6236 11.7507 12.7956 12.9767 13.5905 13.6011 k = 0.3444 0.1988 0.5624 ( 9547 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6034 -9.6022 -9.6009 -9.5986 -7.0801 -7.0783 -7.0537 -7.0469 -7.0456 -7.0405 -1.4067 -1.2800 -0.9944 -0.9575 -0.7777 -0.5144 -0.3497 -0.3307 -0.2809 -0.2695 0.5531 0.6484 3.4961 3.8159 4.9161 5.3597 6.7402 6.7928 9.0939 9.1147 11.7851 11.9046 12.6940 12.8772 13.4781 13.5068 k = 0.3367 0.1944 0.5499 ( 9517 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6035 -9.6022 -9.6009 -9.5986 -7.0801 -7.0783 -7.0537 -7.0473 -7.0455 -7.0406 -1.4081 -1.2799 -0.9945 -0.9587 -0.7817 -0.5148 -0.3502 -0.3332 -0.2800 -0.2702 0.5321 0.6304 3.5173 3.8395 4.9218 5.3675 6.8079 6.8592 9.1130 9.1303 11.9340 12.0407 12.5969 12.7821 13.3700 13.4226 k = 0.3291 0.1900 0.5374 ( 9513 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6036 -9.6023 -9.6009 -9.5987 -7.0801 -7.0784 -7.0537 -7.0477 -7.0454 -7.0407 -1.4093 -1.2801 -0.9946 -0.9603 -0.7851 -0.5157 -0.3507 -0.3357 -0.2794 -0.2708 0.5083 0.6093 3.5425 3.8650 4.9363 5.3822 6.8781 6.9283 9.1320 9.1460 12.0628 12.1494 12.5079 12.6939 13.2669 13.3505 k = 0.3214 0.1856 0.5249 ( 9525 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6037 -9.6024 -9.6009 -9.5988 -7.0802 -7.0785 -7.0537 -7.0481 -7.0454 -7.0408 -1.4105 -1.2806 -0.9947 -0.9623 -0.7881 -0.5170 -0.3511 -0.3381 -0.2789 -0.2715 0.4816 0.5853 3.5722 3.8930 4.9592 5.4035 6.9509 7.0002 9.1512 9.1616 12.1553 12.2190 12.4388 12.6171 13.1698 13.2910 k = 0.3138 0.1812 0.5124 ( 9529 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6038 -9.6024 -9.6009 -9.5989 -7.0802 -7.0787 -7.0537 -7.0485 -7.0454 -7.0409 -1.4115 -1.2814 -0.9948 -0.9646 -0.7908 -0.5188 -0.3515 -0.3405 -0.2787 -0.2722 0.4521 0.5584 3.6066 3.9241 4.9899 5.4314 7.0260 7.0746 9.1703 9.1771 12.1779 12.2391 12.4181 12.5562 13.0802 13.2380 k = 0.3061 0.1767 0.4999 ( 9511 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6995 -9.6039 -9.6025 -9.6009 -9.5989 -7.0803 -7.0788 -7.0537 -7.0489 -7.0454 -7.0410 -1.4124 -1.2826 -0.9949 -0.9672 -0.7933 -0.5210 -0.3519 -0.3428 -0.2787 -0.2730 0.4200 0.5288 3.6461 3.9589 5.0280 5.4654 7.1034 7.1515 9.1894 9.1926 12.1301 12.2118 12.4414 12.5088 12.9995 13.1705 k = 0.2985 0.1723 0.4874 ( 9511 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6040 -9.6025 -9.6009 -9.5991 -7.0803 -7.0790 -7.0537 -7.0493 -7.0454 -7.0411 -1.4132 -1.2841 -0.9950 -0.9701 -0.7955 -0.5238 -0.3523 -0.3449 -0.2788 -0.2738 0.3856 0.4966 3.6907 3.9978 5.0730 5.5054 7.1829 7.2307 9.2079 9.2085 12.0559 12.1537 12.4616 12.4637 12.9288 13.0760 k = 0.2908 0.1679 0.4749 ( 9521 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6042 -9.6026 -9.6009 -9.5992 -7.0804 -7.0792 -7.0537 -7.0496 -7.0455 -7.0412 -1.4139 -1.2858 -0.9951 -0.9732 -0.7978 -0.5271 -0.3526 -0.3471 -0.2792 -0.2746 0.3490 0.4621 3.7406 4.0412 5.1243 5.5512 7.2643 7.3120 9.2231 9.2274 11.9753 12.0810 12.4134 12.4586 12.8656 12.9704 k = 0.2832 0.1635 0.4624 ( 9525 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6043 -9.6027 -9.6009 -9.5993 -7.0806 -7.0794 -7.0537 -7.0500 -7.0456 -7.0413 -1.4146 -1.2879 -0.9953 -0.9764 -0.8000 -0.5310 -0.3530 -0.3491 -0.2798 -0.2754 0.3105 0.4255 3.7959 4.0895 5.1814 5.6025 7.3474 7.3953 9.2380 9.2462 11.8942 12.0024 12.3570 12.4319 12.7996 12.8630 k = 0.2755 0.1591 0.4499 ( 9523 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6044 -9.6027 -9.6010 -9.5995 -7.0807 -7.0796 -7.0537 -7.0503 -7.0457 -7.0414 -1.4152 -1.2903 -0.9955 -0.9797 -0.8024 -0.5356 -0.3532 -0.3510 -0.2805 -0.2763 0.2706 0.3873 3.8565 4.1429 5.2441 5.6591 7.4321 7.4804 9.2525 9.2647 11.8145 11.9224 12.2966 12.3878 12.7178 12.7569 k = 0.2679 0.1546 0.4374 ( 9533 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6045 -9.6028 -9.6010 -9.5996 -7.0808 -7.0799 -7.0536 -7.0506 -7.0459 -7.0416 -1.4157 -1.2931 -0.9957 -0.9830 -0.8049 -0.5409 -0.3535 -0.3529 -0.2814 -0.2771 0.2296 0.3476 3.9225 4.2015 5.3118 5.7208 7.5182 7.5671 9.2666 9.2828 11.7371 11.8428 12.2342 12.3337 12.6236 12.6529 k = 0.2602 0.1502 0.4249 ( 9513 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6046 -9.6028 -9.6011 -9.5998 -7.0810 -7.0801 -7.0536 -7.0509 -7.0461 -7.0417 -1.4163 -1.2962 -0.9959 -0.9864 -0.8078 -0.5471 -0.3547 -0.3538 -0.2825 -0.2780 0.1880 0.3070 3.9938 4.2653 5.3843 5.7873 7.6053 7.6553 9.2802 9.3005 11.6626 11.7650 12.1713 12.2751 12.5259 12.5518 k = 0.2526 0.1458 0.4124 ( 9507 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6048 -9.6029 -9.6012 -9.6000 -7.0812 -7.0804 -7.0536 -7.0512 -7.0463 -7.0419 -1.4168 -1.2996 -0.9962 -0.9897 -0.8110 -0.5542 -0.3564 -0.3540 -0.2837 -0.2790 0.1461 0.2657 4.0704 4.3343 5.4612 5.8584 7.6933 7.7446 9.2933 9.3177 11.5913 11.6897 12.1092 12.2153 12.4289 12.4538 k = 0.2449 0.1414 0.3999 ( 9495 PWs) bands (ev): -38.8355 -38.8354 -38.6995 -38.6995 -9.6049 -9.6029 -9.6012 -9.6002 -7.0813 -7.0807 -7.0536 -7.0515 -7.0466 -7.0420 -1.4174 -1.3033 -0.9965 -0.9929 -0.8146 -0.5623 -0.3581 -0.3543 -0.2850 -0.2799 0.1044 0.2240 4.1520 4.4086 5.5424 5.9341 7.7818 7.8348 9.3057 9.3341 11.5235 11.6175 12.0484 12.1564 12.3340 12.3594 k = 0.2372 0.1370 0.3874 ( 9501 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6050 -9.6030 -9.6013 -9.6004 -7.0815 -7.0810 -7.0535 -7.0518 -7.0469 -7.0422 -1.4180 -1.3074 -0.9968 -0.9961 -0.8187 -0.5716 -0.3597 -0.3546 -0.2864 -0.2809 0.0632 0.1825 4.2386 4.4879 5.6275 6.0140 7.8705 7.9256 9.3174 9.3498 11.4594 11.5486 11.9893 12.0994 12.2424 12.2690 k = 0.2296 0.1326 0.3749 ( 9507 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6051 -9.6030 -9.6014 -9.6006 -7.0818 -7.0813 -7.0535 -7.0520 -7.0472 -7.0424 -1.4186 -1.3119 -0.9992 -0.9972 -0.8233 -0.5823 -0.3613 -0.3549 -0.2879 -0.2819 0.0232 0.1413 4.3300 4.5723 5.7164 6.0980 7.9590 8.0168 9.3284 9.3646 11.3992 11.4837 11.9320 12.0444 12.1550 12.1831 k = 0.2219 0.1281 0.3624 ( 9519 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6052 -9.6031 -9.6015 -9.6009 -7.0820 -7.0816 -7.0535 -7.0522 -7.0475 -7.0426 -1.4194 -1.3168 -1.0021 -0.9976 -0.8285 -0.5944 -0.3629 -0.3552 -0.2895 -0.2830 -0.0153 0.1009 4.4261 4.6615 5.8089 6.1859 8.0467 8.1079 9.3387 9.3784 11.3431 11.4228 11.8762 11.9904 12.0738 12.1023 k = 0.2143 0.1237 0.3499 ( 9517 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6053 -9.6032 -9.6017 -9.6011 -7.0822 -7.0819 -7.0534 -7.0525 -7.0479 -7.0429 -1.4203 -1.3221 -1.0049 -0.9980 -0.8342 -0.6080 -0.3645 -0.3556 -0.2911 -0.2840 -0.0519 0.0615 4.5267 4.7555 5.9048 6.2777 8.1333 8.1986 9.3484 9.3911 11.2912 11.3664 11.8214 11.9336 12.0030 12.0275 k = 0.2066 0.1193 0.3374 ( 9521 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6054 -9.6032 -9.6018 -9.6013 -7.0825 -7.0822 -7.0534 -7.0527 -7.0482 -7.0431 -1.4213 -1.3279 -1.0076 -0.9985 -0.8406 -0.6233 -0.3661 -0.3561 -0.2928 -0.2851 -0.0863 0.0234 4.6318 4.8540 6.0039 6.3731 8.2182 8.2884 9.3576 9.4026 11.2437 11.3147 11.7670 11.8701 11.9473 11.9597 k = 0.1990 0.1149 0.3249 ( 9527 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6055 -9.6033 -9.6019 -9.6016 -7.0828 -7.0825 -7.0534 -7.0528 -7.0486 -7.0434 -1.4225 -1.3341 -1.0101 -0.9991 -0.8475 -0.6403 -0.3678 -0.3567 -0.2945 -0.2862 -0.1180 -0.0131 4.7410 4.9568 6.1060 6.4719 8.3006 8.3769 9.3663 9.4128 11.2007 11.2679 11.7126 11.8020 11.8995 11.9046 k = 0.1913 0.1105 0.3124 ( 9509 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6056 -9.6034 -9.6021 -9.6018 -7.0830 -7.0828 -7.0533 -7.0530 -7.0490 -7.0437 -1.4240 -1.3407 -1.0125 -0.9997 -0.8551 -0.6590 -0.3696 -0.3575 -0.2961 -0.2873 -0.1469 -0.0477 4.8544 5.0639 6.2111 6.5740 8.3798 8.4635 9.3749 9.4217 11.1622 11.2260 11.6582 11.7344 11.8472 11.8704 k = 0.1837 0.1060 0.2999 ( 9515 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6057 -9.6035 -9.6022 -9.6021 -7.0833 -7.0832 -7.0533 -7.0532 -7.0494 -7.0440 -1.4257 -1.3478 -1.0147 -1.0003 -0.8631 -0.6792 -0.3715 -0.3585 -0.2978 -0.2884 -0.1729 -0.0804 4.9716 5.1750 6.3188 6.6793 8.4551 8.5478 9.3835 9.4294 11.1282 11.1889 11.6047 11.6702 11.8021 11.8420 k = 0.1760 0.1016 0.2874 ( 9507 PWs) bands (ev): -38.8356 -38.8356 -38.6993 -38.6993 -9.6058 -9.6035 -9.6024 -9.6023 -7.0836 -7.0835 -7.0533 -7.0532 -7.0498 -7.0444 -1.4277 -1.3554 -1.0168 -1.0010 -0.8718 -0.7008 -0.3736 -0.3597 -0.2994 -0.2895 -0.1959 -0.1107 5.0926 5.2899 6.4291 6.7875 8.5256 8.6290 9.3926 9.4357 11.0983 11.1563 11.5539 11.6111 11.7631 11.8179 k = 0.1684 0.0972 0.2749 ( 9511 PWs) bands (ev): -38.8356 -38.8356 -38.6993 -38.6993 -9.6059 -9.6036 -9.6026 -9.6025 -7.0839 -7.0838 -7.0535 -7.0532 -7.0502 -7.0448 -1.4301 -1.3635 -1.0186 -1.0017 -0.8808 -0.7235 -0.3759 -0.3611 -0.3009 -0.2907 -0.2159 -0.1388 5.2171 5.4084 6.5418 6.8984 8.5905 8.7067 9.4023 9.4409 11.0720 11.1275 11.5076 11.5585 11.7286 11.7966 k = 0.1607 0.0928 0.2624 ( 9507 PWs) bands (ev): -38.8356 -38.8356 -38.6993 -38.6993 -9.6060 -9.6037 -9.6028 -9.6027 -7.0842 -7.0841 -7.0536 -7.0532 -7.0506 -7.0451 -1.4328 -1.3720 -1.0204 -1.0025 -0.8902 -0.7470 -0.3785 -0.3630 -0.3024 -0.2918 -0.2332 -0.1643 5.3451 5.5303 6.6566 7.0118 8.6492 8.7803 9.4129 9.4449 11.0484 11.1011 11.4684 11.5139 11.6972 11.7760 k = 0.1531 0.0884 0.2499 ( 9521 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6060 -9.6038 -9.6031 -9.6029 -7.0844 -7.0844 -7.0537 -7.0531 -7.0509 -7.0455 -1.4360 -1.3810 -1.0219 -1.0033 -0.8999 -0.7709 -0.3813 -0.3653 -0.3038 -0.2929 -0.2478 -0.1873 5.4762 5.6553 6.7732 7.1275 8.7009 8.8492 9.4248 9.4481 11.0263 11.0756 11.4389 11.4792 11.6671 11.7530 k = 0.1454 0.0840 0.2375 ( 9533 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6061 -9.6039 -9.6033 -9.6031 -7.0847 -7.0847 -7.0538 -7.0531 -7.0513 -7.0460 -1.4395 -1.3903 -1.0233 -1.0042 -0.9098 -0.7948 -0.3843 -0.3681 -0.3052 -0.2941 -0.2601 -0.2077 5.6104 5.7833 6.8915 7.2451 8.7454 8.9130 9.4380 9.4506 11.0040 11.0491 11.4215 11.4561 11.6369 11.7233 k = 0.1378 0.0795 0.2250 ( 9519 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6061 -9.6040 -9.6035 -9.6033 -7.0850 -7.0850 -7.0539 -7.0531 -7.0517 -7.0464 -1.4436 -1.4001 -1.0246 -1.0051 -0.9197 -0.8184 -0.3876 -0.3714 -0.3064 -0.2952 -0.2702 -0.2254 5.7473 5.9139 7.0111 7.3642 8.7827 8.9713 9.4525 9.4527 10.9803 11.0203 11.4178 11.4463 11.6051 11.6844 k = 0.1301 0.0751 0.2125 ( 9517 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6062 -9.6041 -9.6038 -9.6034 -7.0853 -7.0853 -7.0539 -7.0530 -7.0520 -7.0468 -1.4481 -1.4101 -1.0256 -1.0061 -0.9296 -0.8414 -0.3911 -0.3753 -0.3075 -0.2963 -0.2785 -0.2406 5.8868 6.0470 7.1315 7.4844 8.8134 9.0239 9.4550 9.4679 10.9544 10.9887 11.4282 11.4503 11.5706 11.6373 k = 0.1224 0.0707 0.2000 ( 9517 PWs) bands (ev): -38.8357 -38.8357 -38.6992 -38.6992 -9.6062 -9.6042 -9.6040 -9.6036 -7.0855 -7.0855 -7.0540 -7.0530 -7.0523 -7.0473 -1.4530 -1.4203 -1.0266 -1.0070 -0.9393 -0.8635 -0.3947 -0.3797 -0.3085 -0.2974 -0.2852 -0.2534 6.0287 6.1821 7.2524 7.6049 8.8382 9.0708 9.4578 9.4840 10.9261 10.9550 11.4510 11.4674 11.5336 11.5851 k = 0.1148 0.0663 0.1875 ( 9525 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6062 -9.6043 -9.6042 -9.6038 -7.0858 -7.0858 -7.0540 -7.0530 -7.0526 -7.0477 -1.4584 -1.4307 -1.0273 -1.0081 -0.9487 -0.8844 -0.3984 -0.3846 -0.3094 -0.2985 -0.2905 -0.2639 6.1725 6.3188 7.3731 7.7249 8.8585 9.1121 9.4617 9.5004 10.8960 10.9200 11.4706 11.4900 11.5078 11.5368 k = 0.1071 0.0619 0.1750 ( 9529 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6063 -9.6044 -9.6044 -9.6040 -7.0861 -7.0861 -7.0541 -7.0530 -7.0529 -7.0482 -1.4642 -1.4411 -1.0279 -1.0091 -0.9578 -0.9039 -0.4021 -0.3898 -0.3102 -0.2996 -0.2948 -0.2725 6.3180 6.4569 7.4930 7.8431 8.8760 9.1482 9.4673 9.5167 10.8649 10.8847 11.4354 11.4592 11.5433 11.5507 k = 0.0995 0.0574 0.1625 ( 9533 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6063 -9.6046 -9.6045 -9.6042 -7.0863 -7.0863 -7.0541 -7.0531 -7.0530 -7.0487 -1.4703 -1.4514 -1.0284 -1.0102 -0.9665 -0.9220 -0.4058 -0.3952 -0.3108 -0.3006 -0.2982 -0.2794 6.4648 6.5959 7.6111 7.9578 8.8929 9.1798 9.4752 9.5330 10.8337 10.8500 11.3855 11.4003 11.5983 11.6000 k = 0.0918 0.0530 0.1500 ( 9529 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6063 -9.6048 -9.6046 -9.6043 -7.0866 -7.0865 -7.0541 -7.0533 -7.0530 -7.0491 -1.4766 -1.4616 -1.0288 -1.0113 -0.9747 -0.9385 -0.4094 -0.4005 -0.3113 -0.3015 -0.3009 -0.2849 6.6124 6.7351 7.7263 8.0664 8.9122 9.2079 9.4859 9.5490 10.8031 10.8164 11.3306 11.3380 11.6578 11.6614 k = 0.0842 0.0486 0.1375 ( 9525 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6063 -9.6049 -9.6047 -9.6045 -7.0868 -7.0868 -7.0542 -7.0535 -7.0530 -7.0496 -1.4831 -1.4714 -1.0290 -1.0124 -0.9824 -0.9534 -0.4129 -0.4057 -0.3116 -0.3030 -0.3025 -0.2893 6.7604 6.8741 7.8370 8.1652 8.9376 9.2339 9.4996 9.5649 10.7737 10.7844 11.2719 11.2737 11.7162 11.7296 k = 0.0765 0.0442 0.1250 ( 9517 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6062 -9.6051 -9.6048 -9.6046 -7.0870 -7.0870 -7.0542 -7.0536 -7.0530 -7.0500 -1.4897 -1.4808 -1.0291 -1.0135 -0.9895 -0.9667 -0.4161 -0.4105 -0.3119 -0.3046 -0.3033 -0.2929 6.9081 7.0121 7.9414 8.2500 8.9734 9.2598 9.5167 9.5810 10.7459 10.7543 11.2079 11.2097 11.7303 11.7469 k = 0.0689 0.0398 0.1125 ( 9517 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6062 -9.6052 -9.6049 -9.6048 -7.0872 -7.0872 -7.0542 -7.0537 -7.0530 -7.0505 -1.4962 -1.4897 -1.0290 -1.0147 -0.9960 -0.9784 -0.4192 -0.4149 -0.3120 -0.3059 -0.3041 -0.2958 7.0549 7.1483 8.0371 8.3161 9.0240 9.2878 9.5372 9.5976 10.7199 10.7264 11.1406 11.1442 11.6283 11.6442 k = 0.0612 0.0353 0.1000 ( 9511 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6062 -9.6053 -9.6051 -9.6049 -7.0873 -7.0873 -7.0542 -7.0537 -7.0531 -7.0509 -1.5025 -1.4979 -1.0289 -1.0158 -1.0019 -0.9886 -0.4220 -0.4189 -0.3119 -0.3069 -0.3049 -0.2982 7.1998 7.2820 8.1215 8.3606 9.0916 9.3204 9.5609 9.6150 10.6960 10.7007 11.0722 11.0760 11.4887 11.5143 k = 0.0536 0.0309 0.0875 ( 9519 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6062 -9.6055 -9.6052 -9.6050 -7.0875 -7.0875 -7.0542 -7.0537 -7.0531 -7.0513 -1.5084 -1.5053 -1.0286 -1.0169 -1.0071 -0.9973 -0.4245 -0.4224 -0.3118 -0.3076 -0.3056 -0.3002 7.3419 7.4121 8.1913 8.3836 9.1753 9.3603 9.5875 9.6335 10.6743 10.6771 11.0033 11.0057 11.3405 11.3656 k = 0.0459 0.0265 0.0750 ( 9503 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6061 -9.6055 -9.6053 -9.6051 -7.0876 -7.0876 -7.0542 -7.0537 -7.0531 -7.0517 -1.5139 -1.5120 -1.0282 -1.0181 -1.0117 -1.0046 -0.4268 -0.4254 -0.3116 -0.3081 -0.3062 -0.3019 7.4800 7.5376 8.2439 8.3876 9.2713 9.4092 9.6165 9.6531 10.6546 10.6556 10.9345 10.9346 11.1918 11.2110 k = 0.0383 0.0221 0.0625 ( 9491 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6061 -9.6056 -9.6054 -9.6052 -7.0877 -7.0877 -7.0541 -7.0537 -7.0532 -7.0520 -1.5188 -1.5177 -1.0277 -1.0192 -1.0156 -1.0106 -0.4287 -0.4279 -0.3113 -0.3085 -0.3067 -0.3034 7.6127 7.6573 8.2769 8.3757 9.3745 9.4679 9.6470 9.6739 10.6355 10.6365 10.8646 10.8677 11.0485 11.0589 k = 0.0306 0.0177 0.0500 ( 9497 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6060 -9.6057 -9.6055 -9.6053 -7.0878 -7.0878 -7.0541 -7.0537 -7.0532 -7.0524 -1.5230 -1.5224 -1.0272 -1.0202 -1.0188 -1.0154 -0.4303 -0.4299 -0.3109 -0.3087 -0.3072 -0.3046 7.7385 7.7704 8.2892 8.3505 9.4795 9.5351 9.6775 9.6951 10.6154 10.6187 10.7988 10.8046 10.9163 10.9170 k = 0.0230 0.0133 0.0375 ( 9493 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6059 -9.6057 -9.6056 -9.6054 -7.0879 -7.0879 -7.0540 -7.0536 -7.0533 -7.0527 -1.5264 -1.5262 -1.0265 -1.0213 -1.0212 -1.0191 -0.4317 -0.4315 -0.3104 -0.3088 -0.3076 -0.3058 7.8557 7.8756 8.2808 8.3136 9.5797 9.6069 9.7057 9.7156 10.5922 10.5975 10.7413 10.7484 10.7952 10.8028 k = 0.0153 0.0088 0.0250 ( 9493 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6059 -9.6057 -9.6056 -9.6055 -7.0880 -7.0880 -7.0538 -7.0536 -7.0533 -7.0530 -1.5289 -1.5288 -1.0258 -1.0230 -1.0224 -1.0217 -0.4326 -0.4326 -0.3098 -0.3088 -0.3080 -0.3068 7.9624 7.9721 8.2525 8.2662 9.6667 9.6756 9.7290 9.7334 10.5601 10.5648 10.6972 10.7027 10.7105 10.7200 k = 0.0077 0.0044 0.0125 ( 9507 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6058 -9.6057 -9.6057 -9.6056 -7.0880 -7.0880 -7.0537 -7.0535 -7.0534 -7.0532 -1.5304 -1.5304 -1.0250 -1.0240 -1.0235 -1.0231 -0.4332 -0.4332 -0.3092 -0.3087 -0.3083 -0.3077 8.0561 8.0587 8.2060 8.2092 9.7280 9.7289 9.7444 9.7458 10.5228 10.5238 10.6708 10.6710 10.6731 10.6754 k = 0.0000 0.0000 0.0000 ( 9505 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6057 -9.6057 -9.6057 -9.6057 -7.0880 -7.0880 -7.0535 -7.0535 -7.0535 -7.0535 -1.5309 -1.5309 -1.0241 -1.0241 -1.0241 -1.0241 -0.4334 -0.4334 -0.3085 -0.3085 -0.3085 -0.3085 8.1211 8.1211 8.1568 8.1568 9.7501 9.7501 9.7501 9.7501 10.5049 10.5049 10.6621 10.6621 10.6621 10.6621 k = 0.0000 0.0000 0.0000 ( 9505 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6057 -9.6057 -9.6057 -9.6057 -7.0880 -7.0880 -7.0535 -7.0535 -7.0535 -7.0535 -1.5309 -1.5309 -1.0241 -1.0241 -1.0241 -1.0241 -0.4334 -0.4334 -0.3085 -0.3085 -0.3085 -0.3085 8.1211 8.1211 8.1568 8.1568 9.7501 9.7501 9.7501 9.7501 10.5049 10.5049 10.6621 10.6621 10.6621 10.6621 k = 0.0125 0.0072 0.0051 ( 9499 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6058 -9.6057 -9.6057 -9.6056 -7.0880 -7.0880 -7.0537 -7.0535 -7.0535 -7.0532 -1.5304 -1.5304 -1.0251 -1.0237 -1.0237 -1.0232 -0.4332 -0.4332 -0.3092 -0.3085 -0.3085 -0.3077 8.0573 8.0573 8.2077 8.2077 9.7311 9.7311 9.7417 9.7430 10.5235 10.5235 10.6709 10.6722 10.6735 10.6735 k = 0.0250 0.0144 0.0102 ( 9499 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6059 -9.6057 -9.6057 -9.6055 -7.0880 -7.0880 -7.0538 -7.0535 -7.0535 -7.0529 -1.5289 -1.5289 -1.0259 -1.0223 -1.0223 -1.0222 -0.4326 -0.4326 -0.3099 -0.3084 -0.3084 -0.3067 7.9662 7.9662 8.2605 8.2605 9.6812 9.6812 9.7188 9.7212 10.5655 10.5655 10.6976 10.7002 10.7141 10.7141 k = 0.0375 0.0217 0.0153 ( 9493 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6059 -9.6056 -9.6056 -9.6054 -7.0879 -7.0879 -7.0540 -7.0535 -7.0535 -7.0526 -1.5263 -1.5263 -1.0268 -1.0212 -1.0201 -1.0201 -0.4316 -0.4316 -0.3104 -0.3082 -0.3082 -0.3058 7.8625 7.8625 8.3013 8.3013 9.6140 9.6140 9.6839 9.6872 10.6066 10.6066 10.7397 10.7433 10.7939 10.7939 k = 0.0500 0.0289 0.0204 ( 9492 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6060 -9.6056 -9.6056 -9.6053 -7.0878 -7.0878 -7.0541 -7.0535 -7.0535 -7.0523 -1.5227 -1.5227 -1.0276 -1.0201 -1.0169 -1.0169 -0.4301 -0.4301 -0.3109 -0.3079 -0.3079 -0.3047 7.7474 7.7474 8.3301 8.3301 9.5403 9.5403 9.6400 9.6440 10.6413 10.6413 10.7939 10.7982 10.9056 10.9056 k = 0.0625 0.0361 0.0255 ( 9498 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6061 -9.6055 -9.6055 -9.6052 -7.0877 -7.0877 -7.0541 -7.0535 -7.0535 -7.0520 -1.5183 -1.5183 -1.0283 -1.0191 -1.0128 -1.0128 -0.4283 -0.4283 -0.3112 -0.3075 -0.3075 -0.3036 7.6220 7.6220 8.3473 8.3473 9.4667 9.4667 9.5898 9.5943 10.6748 10.6748 10.8568 10.8616 11.0355 11.0355 k = 0.0750 0.0433 0.0306 ( 9501 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6061 -9.6054 -9.6054 -9.6051 -7.0876 -7.0876 -7.0542 -7.0535 -7.0535 -7.0516 -1.5130 -1.5130 -1.0290 -1.0181 -1.0077 -1.0077 -0.4261 -0.4261 -0.3115 -0.3069 -0.3069 -0.3024 7.4875 7.4875 8.3538 8.3538 9.3965 9.3965 9.5356 9.5404 10.7097 10.7097 10.9253 10.9303 11.1748 11.1748 k = 0.0875 0.0505 0.0357 ( 9501 PWs) bands (ev): -38.8359 -38.8359 -38.6991 -38.6991 -9.6062 -9.6053 -9.6053 -9.6050 -7.0875 -7.0875 -7.0541 -7.0535 -7.0535 -7.0512 -1.5070 -1.5070 -1.0297 -1.0170 -1.0016 -1.0016 -0.4235 -0.4235 -0.3116 -0.3061 -0.3061 -0.3011 7.3454 7.3454 8.3505 8.3505 9.3314 9.3314 9.4790 9.4840 10.7461 10.7461 10.9962 11.0013 11.3187 11.3187 k = 0.1000 0.0577 0.0408 ( 9513 PWs) bands (ev): -38.8359 -38.8359 -38.6992 -38.6992 -9.6062 -9.6052 -9.6052 -9.6049 -7.0873 -7.0873 -7.0541 -7.0535 -7.0535 -7.0508 -1.5003 -1.5003 -1.0302 -1.0160 -0.9944 -0.9944 -0.4205 -0.4205 -0.3116 -0.3051 -0.3051 -0.2998 7.1969 7.1969 8.3386 8.3386 9.2717 9.2717 9.4213 9.4264 10.7833 10.7833 11.0665 11.0715 11.4643 11.4643 k = 0.1125 0.0650 0.0459 ( 9516 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6063 -9.6050 -9.6050 -9.6048 -7.0872 -7.0872 -7.0540 -7.0535 -7.0535 -7.0503 -1.4932 -1.4932 -1.0307 -1.0151 -0.9861 -0.9861 -0.4172 -0.4172 -0.3116 -0.3037 -0.3037 -0.2985 7.0432 7.0432 8.3193 8.3193 9.2172 9.2172 9.3633 9.3684 10.8195 10.8195 11.1323 11.1370 11.6095 11.6095 k = 0.1250 0.0722 0.0510 ( 9504 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6063 -9.6049 -9.6049 -9.6047 -7.0870 -7.0870 -7.0539 -7.0535 -7.0535 -7.0499 -1.4856 -1.4856 -1.0312 -1.0141 -0.9766 -0.9766 -0.4135 -0.4135 -0.3113 -0.3018 -0.3018 -0.2971 6.8857 6.8857 8.2940 8.2940 9.1673 9.1673 9.3058 9.3109 10.8527 10.8527 11.1891 11.1935 11.7527 11.7527 k = 0.1375 0.0794 0.0561 ( 9516 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6063 -9.6047 -9.6047 -9.6046 -7.0868 -7.0868 -7.0537 -7.0536 -7.0536 -7.0494 -1.4778 -1.4778 -1.0316 -1.0132 -0.9660 -0.9660 -0.4096 -0.4096 -0.3110 -0.2993 -0.2993 -0.2957 6.7252 6.7252 8.2638 8.2638 9.1216 9.1216 9.2491 9.2541 10.8809 10.8809 11.2317 11.2357 11.8924 11.8924 k = 0.1500 0.0866 0.0612 ( 9522 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6063 -9.6046 -9.6046 -9.6045 -7.0865 -7.0865 -7.0536 -7.0536 -7.0535 -7.0489 -1.4699 -1.4699 -1.0319 -1.0123 -0.9543 -0.9543 -0.4055 -0.4055 -0.3106 -0.2961 -0.2961 -0.2943 6.5628 6.5628 8.2300 8.2300 9.0793 9.0793 9.1937 9.1986 10.9017 10.9017 11.2556 11.2592 12.0232 12.0232 k = 0.1625 0.0938 0.0663 ( 9522 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6064 -9.6044 -9.6044 -9.6044 -7.0863 -7.0863 -7.0536 -7.0536 -7.0533 -7.0485 -1.4620 -1.4620 -1.0321 -1.0115 -0.9415 -0.9415 -0.4013 -0.4013 -0.3100 -0.2929 -0.2919 -0.2919 6.3993 6.3993 8.1935 8.1935 9.0399 9.0399 9.1398 9.1446 10.9134 10.9134 11.2586 11.2619 12.0904 12.0904 k = 0.1750 0.1010 0.0714 ( 9522 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6064 -9.6043 -9.6042 -9.6042 -7.0861 -7.0861 -7.0536 -7.0536 -7.0530 -7.0480 -1.4542 -1.4542 -1.0323 -1.0107 -0.9275 -0.9275 -0.3971 -0.3971 -0.3094 -0.2914 -0.2865 -0.2865 6.2355 6.2355 8.1553 8.1553 9.0028 9.0028 9.0876 9.0922 10.9151 10.9151 11.2420 11.2452 12.1263 12.1263 k = 0.1875 0.1083 0.0765 ( 9528 PWs) bands (ev): -38.8358 -38.8358 -38.6992 -38.6992 -9.6063 -9.6043 -9.6040 -9.6040 -7.0858 -7.0858 -7.0537 -7.0537 -7.0527 -7.0475 -1.4466 -1.4466 -1.0324 -1.0100 -0.9126 -0.9126 -0.3931 -0.3931 -0.3086 -0.2900 -0.2796 -0.2796 6.0719 6.0719 8.1159 8.1159 8.9678 8.9678 9.0372 9.0417 10.9067 10.9067 11.2094 11.2126 12.1736 12.1736 k = 0.2000 0.1155 0.0816 ( 9540 PWs) bands (ev): -38.8358 -38.8358 -38.6993 -38.6993 -9.6063 -9.6042 -9.6038 -9.6038 -7.0856 -7.0856 -7.0537 -7.0537 -7.0524 -7.0470 -1.4393 -1.4393 -1.0324 -1.0094 -0.8969 -0.8969 -0.3894 -0.3894 -0.3077 -0.2886 -0.2709 -0.2709 5.9092 5.9092 8.0762 8.0762 8.9346 8.9346 8.9888 8.9931 10.8891 10.8891 11.1652 11.1684 12.2330 12.2330 k = 0.2125 0.1227 0.0868 ( 9537 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6063 -9.6041 -9.6036 -9.6036 -7.0853 -7.0853 -7.0537 -7.0537 -7.0521 -7.0465 -1.4324 -1.4324 -1.0324 -1.0089 -0.8804 -0.8804 -0.3861 -0.3861 -0.3067 -0.2872 -0.2603 -0.2603 5.7478 5.7478 8.0364 8.0364 8.9029 8.9029 8.9425 8.9466 10.8636 10.8636 11.1131 11.1164 12.3013 12.3013 k = 0.2250 0.1299 0.0919 ( 9540 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6063 -9.6040 -9.6034 -9.6034 -7.0850 -7.0850 -7.0537 -7.0537 -7.0517 -7.0461 -1.4260 -1.4260 -1.0323 -1.0084 -0.8633 -0.8633 -0.3833 -0.3833 -0.3056 -0.2858 -0.2474 -0.2474 5.5883 5.5883 7.9970 7.9970 8.8727 8.8727 8.8983 8.9022 10.8318 10.8318 11.0560 11.0593 12.3694 12.3694 k = 0.2375 0.1371 0.0970 ( 9531 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6062 -9.6040 -9.6031 -9.6031 -7.0848 -7.0848 -7.0538 -7.0538 -7.0513 -7.0456 -1.4200 -1.4200 -1.0321 -1.0080 -0.8460 -0.8460 -0.3810 -0.3810 -0.3045 -0.2844 -0.2322 -0.2322 5.4310 5.4310 7.9584 7.9584 8.8438 8.8438 8.8562 8.8599 10.7953 10.7953 10.9960 10.9992 12.4166 12.4166 k = 0.2500 0.1443 0.1021 ( 9516 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6062 -9.6039 -9.6029 -9.6029 -7.0845 -7.0845 -7.0538 -7.0538 -7.0509 -7.0452 -1.4145 -1.4145 -1.0319 -1.0077 -0.8286 -0.8286 -0.3791 -0.3791 -0.3032 -0.2831 -0.2145 -0.2145 5.2763 5.2763 7.9207 7.9208 8.8162 8.8162 8.8163 8.8199 10.7555 10.7555 10.9345 10.9377 12.4409 12.4409 k = 0.2625 0.1516 0.1072 ( 9525 PWs) bands (ev): -38.8357 -38.8357 -38.6993 -38.6993 -9.6061 -9.6039 -9.6027 -9.6027 -7.0842 -7.0842 -7.0538 -7.0538 -7.0504 -7.0448 -1.4095 -1.4095 -1.0316 -1.0075 -0.8113 -0.8113 -0.3777 -0.3777 -0.3019 -0.2818 -0.1942 -0.1942 5.1246 5.1246 7.8843 7.8843 8.7786 8.7820 8.7899 8.7899 10.7135 10.7135 10.8728 10.8759 12.4564 12.4564 k = 0.2750 0.1588 0.1123 ( 9522 PWs) bands (ev): -38.8356 -38.8356 -38.6993 -38.6993 -9.6061 -9.6038 -9.6025 -9.6025 -7.0839 -7.0839 -7.0538 -7.0538 -7.0500 -7.0444 -1.4050 -1.4050 -1.0313 -1.0074 -0.7944 -0.7944 -0.3767 -0.3767 -0.3005 -0.2806 -0.1714 -0.1714 4.9763 4.9763 7.8492 7.8492 8.7431 8.7463 8.7649 8.7649 10.6705 10.6705 10.8115 10.8145 12.4685 12.4685 k = 0.2875 0.1660 0.1174 ( 9522 PWs) bands (ev): -38.8356 -38.8356 -38.6993 -38.6993 -9.6060 -9.6038 -9.6023 -9.6023 -7.0837 -7.0837 -7.0539 -7.0539 -7.0495 -7.0440 -1.4010 -1.4010 -1.0308 -1.0073 -0.7780 -0.7780 -0.3759 -0.3759 -0.2990 -0.2795 -0.1461 -0.1461 4.8317 4.8317 7.8155 7.8155 8.7098 8.7128 8.7411 8.7411 10.6271 10.6271 10.7513 10.7543 12.4790 12.4790 k = 0.3000 0.1732 0.1225 ( 9528 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6059 -9.6038 -9.6021 -9.6021 -7.0834 -7.0834 -7.0539 -7.0539 -7.0490 -7.0436 -1.3974 -1.3974 -1.0304 -1.0074 -0.7624 -0.7624 -0.3755 -0.3755 -0.2975 -0.2784 -0.1185 -0.1185 4.6912 4.6912 7.7835 7.7835 8.6787 8.6815 8.7186 8.7186 10.5841 10.5841 10.6928 10.6957 12.4884 12.4884 k = 0.3125 0.1804 0.1276 ( 9522 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6059 -9.6038 -9.6019 -9.6019 -7.0832 -7.0832 -7.0539 -7.0539 -7.0486 -7.0433 -1.3942 -1.3942 -1.0299 -1.0075 -0.7477 -0.7477 -0.3753 -0.3753 -0.2960 -0.2774 -0.0886 -0.0886 4.5552 4.5552 7.7531 7.7531 8.6498 8.6524 8.6974 8.6974 10.5419 10.5419 10.6364 10.6391 12.4970 12.4970 k = 0.3250 0.1876 0.1327 ( 9531 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6058 -9.6038 -9.6017 -9.6017 -7.0829 -7.0829 -7.0539 -7.0539 -7.0481 -7.0430 -1.3915 -1.3915 -1.0293 -1.0077 -0.7340 -0.7340 -0.3752 -0.3752 -0.2944 -0.2765 -0.0569 -0.0569 4.4240 4.4240 7.7245 7.7245 8.6230 8.6254 8.6775 8.6775 10.5011 10.5011 10.5824 10.5849 12.5050 12.5050 k = 0.3375 0.1949 0.1378 ( 9531 PWs) bands (ev): -38.8356 -38.8356 -38.6994 -38.6994 -9.6057 -9.6038 -9.6015 -9.6015 -7.0827 -7.0827 -7.0540 -7.0540 -7.0476 -7.0427 -1.3891 -1.3891 -1.0287 -1.0080 -0.7213 -0.7213 -0.3753 -0.3753 -0.2928 -0.2757 -0.0235 -0.0235 4.2982 4.2982 7.6977 7.6977 8.5983 8.6005 8.6590 8.6590 10.4619 10.4619 10.5310 10.5334 12.5125 12.5125 k = 0.3500 0.2021 0.1429 ( 9528 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6056 -9.6038 -9.6013 -9.6013 -7.0825 -7.0825 -7.0540 -7.0540 -7.0471 -7.0425 -1.3870 -1.3870 -1.0280 -1.0084 -0.7097 -0.7097 -0.3754 -0.3754 -0.2912 -0.2749 0.0111 0.0111 4.1780 4.1780 7.6728 7.6728 8.5757 8.5777 8.6417 8.6417 10.4248 10.4248 10.4825 10.4848 12.5195 12.5195 k = 0.3625 0.2093 0.1480 ( 9522 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6055 -9.6038 -9.6011 -9.6011 -7.0823 -7.0823 -7.0540 -7.0540 -7.0466 -7.0423 -1.3852 -1.3852 -1.0273 -1.0089 -0.6992 -0.6992 -0.3757 -0.3757 -0.2896 -0.2743 0.0464 0.0464 4.0641 4.0641 7.6497 7.6497 8.5551 8.5570 8.6258 8.6258 10.3899 10.3899 10.4373 10.4393 12.5259 12.5259 k = 0.3750 0.2165 0.1531 ( 9534 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6054 -9.6038 -9.6010 -9.6010 -7.0821 -7.0821 -7.0540 -7.0540 -7.0462 -7.0421 -1.3837 -1.3837 -1.0265 -1.0094 -0.6899 -0.6899 -0.3759 -0.3759 -0.2880 -0.2738 0.0819 0.0819 3.9570 3.9570 7.6286 7.6286 8.5365 8.5382 8.6112 8.6112 10.3574 10.3574 10.3953 10.3972 12.5319 12.5319 k = 0.3875 0.2237 0.1582 ( 9546 PWs) bands (ev): -38.8355 -38.8355 -38.6994 -38.6994 -9.6053 -9.6038 -9.6008 -9.6008 -7.0819 -7.0819 -7.0541 -7.0541 -7.0457 -7.0420 -1.3824 -1.3824 -1.0257 -1.0100 -0.6815 -0.6815 -0.3762 -0.3762 -0.2865 -0.2734 0.1171 0.1171 3.8572 3.8572 7.6094 7.6094 8.5199 8.5214 8.5980 8.5980 10.3276 10.3276 10.3568 10.3586 12.5373 12.5373 k = 0.4000 0.2309 0.1633 ( 9534 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6052 -9.6039 -9.6007 -9.6007 -7.0817 -7.0817 -7.0541 -7.0541 -7.0453 -7.0419 -1.3814 -1.3814 -1.0249 -1.0107 -0.6742 -0.6742 -0.3765 -0.3765 -0.2849 -0.2732 0.1512 0.1512 3.7653 3.7653 7.5922 7.5922 8.5052 8.5065 8.5862 8.5862 10.3006 10.3006 10.3221 10.3236 12.5422 12.5422 k = 0.4125 0.2382 0.1684 ( 9540 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6051 -9.6039 -9.6006 -9.6006 -7.0816 -7.0816 -7.0541 -7.0541 -7.0448 -7.0419 -1.3805 -1.3805 -1.0240 -1.0114 -0.6679 -0.6679 -0.3768 -0.3768 -0.2835 -0.2730 0.1837 0.1837 3.6820 3.6820 7.5770 7.5770 8.4923 8.4935 8.5757 8.5757 10.2765 10.2765 10.2910 10.2924 12.5466 12.5466 k = 0.4250 0.2454 0.1735 ( 9522 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6050 -9.6040 -9.6005 -9.6005 -7.0814 -7.0814 -7.0541 -7.0541 -7.0444 -7.0418 -1.3797 -1.3797 -1.0231 -1.0122 -0.6625 -0.6625 -0.3770 -0.3770 -0.2821 -0.2730 0.2138 0.2138 3.6080 3.6080 7.5638 7.5638 8.4813 8.4823 8.5666 8.5666 10.2554 10.2554 10.2639 10.2651 12.5504 12.5504 k = 0.4375 0.2526 0.1786 ( 9525 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6049 -9.6040 -9.6004 -9.6004 -7.0813 -7.0813 -7.0541 -7.0541 -7.0440 -7.0419 -1.3792 -1.3792 -1.0222 -1.0130 -0.6580 -0.6580 -0.3773 -0.3773 -0.2808 -0.2731 0.2407 0.2407 3.5438 3.5438 7.5526 7.5526 8.4721 8.4729 8.5589 8.5589 10.2374 10.2374 10.2409 10.2418 12.5537 12.5537 k = 0.4500 0.2598 0.1837 ( 9531 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6048 -9.6041 -9.6003 -9.6003 -7.0812 -7.0812 -7.0541 -7.0541 -7.0437 -7.0419 -1.3787 -1.3787 -1.0213 -1.0138 -0.6544 -0.6544 -0.3775 -0.3775 -0.2795 -0.2733 0.2640 0.2640 3.4903 3.4903 7.5434 7.5434 8.4646 8.4652 8.5526 8.5526 10.2219 10.2226 10.2226 10.2226 12.5564 12.5564 k = 0.4625 0.2670 0.1888 ( 9525 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6047 -9.6042 -9.6002 -9.6002 -7.0812 -7.0812 -7.0541 -7.0541 -7.0433 -7.0420 -1.3784 -1.3784 -1.0203 -1.0147 -0.6516 -0.6516 -0.3776 -0.3776 -0.2784 -0.2737 0.2828 0.2828 3.4479 3.4479 7.5363 7.5363 8.4588 8.4593 8.5477 8.5477 10.2070 10.2076 10.2110 10.2110 12.5585 12.5585 k = 0.4750 0.2742 0.1939 ( 9522 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6046 -9.6042 -9.6002 -9.6002 -7.0811 -7.0811 -7.0542 -7.0542 -7.0430 -7.0421 -1.3781 -1.3781 -1.0194 -1.0156 -0.6496 -0.6496 -0.3777 -0.3777 -0.2773 -0.2742 0.2967 0.2967 3.4172 3.4172 7.5312 7.5312 8.4547 8.4550 8.5442 8.5442 10.1964 10.1968 10.2027 10.2027 12.5600 12.5600 k = 0.4875 0.2815 0.1990 ( 9540 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6045 -9.6043 -9.6002 -9.6002 -7.0811 -7.0811 -7.0542 -7.0542 -7.0428 -7.0423 -1.3780 -1.3780 -1.0184 -1.0165 -0.6485 -0.6485 -0.3778 -0.3778 -0.2764 -0.2748 0.3052 0.3052 3.3986 3.3986 7.5281 7.5281 8.4523 8.4524 8.5421 8.5421 10.1901 10.1903 10.1977 10.1977 12.5609 12.5609 k = 0.5000 0.2887 0.2041 ( 9558 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6002 -7.0811 -7.0811 -7.0542 -7.0542 -7.0425 -7.0425 -1.3779 -1.3779 -1.0175 -1.0175 -0.6481 -0.6481 -0.3778 -0.3778 -0.2755 -0.2755 0.3080 0.3080 3.3924 3.3924 7.5271 7.5271 8.4515 8.4515 8.5414 8.5414 10.1880 10.1880 10.1960 10.1960 12.5612 12.5612 k = 0.5000 0.2887 0.2041 ( 9558 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6002 -7.0811 -7.0811 -7.0542 -7.0542 -7.0425 -7.0425 -1.3779 -1.3779 -1.0175 -1.0175 -0.6481 -0.6481 -0.3778 -0.3778 -0.2755 -0.2755 0.3080 0.3080 3.3924 3.3924 7.5271 7.5271 8.4515 8.4515 8.5414 8.5414 10.1880 10.1880 10.1960 10.1960 12.5612 12.5612 k = 0.5043 0.2762 0.2112 ( 9550 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6001 -7.0811 -7.0810 -7.0542 -7.0541 -7.0425 -7.0425 -1.3823 -1.3733 -1.0174 -1.0174 -0.6572 -0.6389 -0.3781 -0.3773 -0.2755 -0.2755 0.3045 0.3127 3.3893 3.3971 7.4886 7.5383 8.3719 8.3863 8.6022 8.6320 10.1885 10.1893 10.2069 10.2081 12.5656 12.5675 k = 0.5086 0.2638 0.2182 ( 9529 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6001 -7.0811 -7.0810 -7.0543 -7.0540 -7.0425 -7.0425 -1.3863 -1.3685 -1.0171 -1.0170 -0.6663 -0.6298 -0.3782 -0.3766 -0.2756 -0.2756 0.3021 0.3185 3.3878 3.4035 7.4253 7.5210 8.2618 8.2981 8.7013 8.7495 10.1957 10.1977 10.2359 10.2375 12.5807 12.5846 k = 0.5129 0.2513 0.2252 ( 9525 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6001 -7.0811 -7.0809 -7.0543 -7.0539 -7.0425 -7.0425 -1.3900 -1.3634 -1.0166 -1.0164 -0.6753 -0.6208 -0.3780 -0.3757 -0.2757 -0.2756 0.3009 0.3254 3.3879 3.4115 7.3407 7.4759 8.1568 8.2118 8.8025 8.8646 10.2118 10.2140 10.2815 10.2835 12.6060 12.6121 k = 0.5172 0.2389 0.2323 ( 9517 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6044 -9.6043 -9.6003 -9.6000 -7.0811 -7.0809 -7.0543 -7.0537 -7.0425 -7.0425 -1.3933 -1.3581 -1.0159 -1.0155 -0.6841 -0.6119 -0.3775 -0.3746 -0.2758 -0.2757 0.3010 0.3333 3.3895 3.4213 7.2393 7.4058 8.0599 8.1283 8.9003 8.9717 10.2385 10.2389 10.3428 10.3455 12.6413 12.6497 k = 0.5216 0.2265 0.2393 ( 9523 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6043 -9.6043 -9.6003 -9.6000 -7.0810 -7.0808 -7.0543 -7.0536 -7.0426 -7.0425 -1.3964 -1.3526 -1.0151 -1.0143 -0.6928 -0.6033 -0.3768 -0.3734 -0.2759 -0.2758 0.3024 0.3423 3.3925 3.4327 7.1251 7.3149 7.9707 8.0469 8.9908 9.0668 10.2740 10.2779 10.4186 10.4222 12.6858 12.6968 k = 0.5259 0.2140 0.2464 ( 9521 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6043 -9.6043 -9.6003 -9.5999 -7.0810 -7.0807 -7.0543 -7.0534 -7.0426 -7.0425 -1.3991 -1.3471 -1.0142 -1.0128 -0.7012 -0.5948 -0.3757 -0.3721 -0.2761 -0.2758 0.3050 0.3522 3.3968 3.4457 7.0017 7.2084 7.8874 7.9667 9.0708 9.1468 10.3207 10.3319 10.5075 10.5122 12.7388 12.7526 k = 0.5302 0.2016 0.2534 ( 9531 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6042 -9.6042 -9.6003 -9.5999 -7.0810 -7.0806 -7.0543 -7.0532 -7.0426 -7.0425 -1.4014 -1.3416 -1.0132 -1.0110 -0.7093 -0.5867 -0.3744 -0.3707 -0.2764 -0.2759 0.3090 0.3632 3.4024 3.4603 6.8722 7.0915 7.8078 7.8872 9.1378 9.2098 10.3805 10.4017 10.6081 10.6140 12.7991 12.8161 k = 0.5345 0.1891 0.2604 ( 9523 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6042 -9.6041 -9.6003 -9.5998 -7.0809 -7.0805 -7.0542 -7.0530 -7.0427 -7.0424 -1.4035 -1.3360 -1.0121 -1.0089 -0.7172 -0.5790 -0.3728 -0.3692 -0.2766 -0.2759 0.3144 0.3751 3.4090 3.4765 6.7388 6.9681 7.7305 7.8082 9.1907 9.2557 10.4538 10.4868 10.7191 10.7259 12.8653 12.8854 k = 0.5388 0.1767 0.2675 ( 9519 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6042 -9.6041 -9.6003 -9.5997 -7.0809 -7.0803 -7.0542 -7.0528 -7.0427 -7.0424 -1.4052 -1.3305 -1.0110 -1.0065 -0.7247 -0.5716 -0.3708 -0.3677 -0.2769 -0.2759 0.3211 0.3879 3.4166 3.4941 6.6035 6.8414 7.6546 7.7296 9.2296 9.2859 10.5400 10.5856 10.8390 10.8465 12.9352 12.9581 k = 0.5431 0.1642 0.2745 ( 9513 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6041 -9.6040 -9.6003 -9.5997 -7.0808 -7.0802 -7.0542 -7.0525 -7.0428 -7.0423 -1.4066 -1.3251 -1.0097 -1.0037 -0.7318 -0.5647 -0.3686 -0.3662 -0.2772 -0.2759 0.3293 0.4016 3.4249 3.5131 6.4675 6.7138 7.5796 7.6518 9.2557 9.3027 10.6376 10.6958 10.9664 10.9744 13.0057 13.0300 k = 0.5474 0.1518 0.2816 ( 9514 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6040 -9.6039 -9.6004 -9.5996 -7.0808 -7.0800 -7.0541 -7.0523 -7.0429 -7.0423 -1.4078 -1.3199 -1.0085 -1.0007 -0.7385 -0.5583 -0.3662 -0.3646 -0.2776 -0.2758 0.3388 0.4161 3.4339 3.5333 6.3321 6.5868 7.5054 7.5748 9.2709 9.3088 10.7447 10.8147 11.0997 11.1081 13.0719 13.0938 k = 0.5517 0.1394 0.2886 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6040 -9.6038 -9.6004 -9.5995 -7.0807 -7.0799 -7.0541 -7.0520 -7.0429 -7.0422 -1.4086 -1.3149 -1.0072 -0.9974 -0.7447 -0.5524 -0.3635 -0.3631 -0.2779 -0.2756 0.3497 0.4315 3.4432 3.5546 6.1983 6.4620 7.4321 7.4989 9.2772 9.3067 10.8592 10.9401 11.2375 11.2462 13.1264 13.1373 k = 0.5560 0.1269 0.2956 ( 9524 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6039 -9.6037 -9.6004 -9.5994 -7.0807 -7.0797 -7.0540 -7.0517 -7.0430 -7.0421 -1.4093 -1.3102 -1.0060 -0.9939 -0.7505 -0.5469 -0.3616 -0.3606 -0.2783 -0.2754 0.3620 0.4476 3.4526 3.5768 6.0669 6.3404 7.3599 7.4243 9.2764 9.2983 10.9790 11.0702 11.3779 11.3871 13.1467 13.1597 k = 0.5603 0.1145 0.3027 ( 9516 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6039 -9.6036 -9.6004 -9.5994 -7.0806 -7.0796 -7.0540 -7.0514 -7.0431 -7.0420 -1.4097 -1.3058 -1.0047 -0.9902 -0.7557 -0.5419 -0.3601 -0.3576 -0.2786 -0.2752 0.3755 0.4644 3.4618 3.5996 5.9388 6.2229 7.2890 7.3513 9.2703 9.2854 11.1021 11.2031 11.5190 11.5293 13.1170 13.1638 k = 0.5647 0.1020 0.3097 ( 9513 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6038 -9.6035 -9.6005 -9.5993 -7.0805 -7.0794 -7.0539 -7.0510 -7.0433 -7.0419 -1.4099 -1.3017 -1.0035 -0.9864 -0.7603 -0.5375 -0.3587 -0.3546 -0.2790 -0.2748 0.3903 0.4818 3.4706 3.6229 5.8147 6.1104 7.2196 7.2801 9.2601 9.2692 11.2265 11.3373 11.6585 11.6706 13.0597 13.1391 k = 0.5690 0.0896 0.3167 ( 9518 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6038 -9.6034 -9.6005 -9.5992 -7.0805 -7.0793 -7.0539 -7.0507 -7.0434 -7.0418 -1.4099 -1.2981 -1.0024 -0.9826 -0.7643 -0.5335 -0.3573 -0.3515 -0.2794 -0.2745 0.4061 0.4997 3.4786 3.6462 5.6954 6.0038 7.1519 7.2109 9.2470 9.2508 11.3498 11.4707 11.7936 11.8084 12.9914 13.0957 k = 0.5733 0.0771 0.3238 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6037 -9.6032 -9.6005 -9.5991 -7.0804 -7.0791 -7.0539 -7.0503 -7.0435 -7.0416 -1.4097 -1.2947 -1.0012 -0.9788 -0.7676 -0.5300 -0.3561 -0.3483 -0.2798 -0.2740 0.4230 0.5180 3.4855 3.6691 5.5818 5.9037 7.0861 7.1439 9.2310 9.2319 11.4683 11.5998 11.9213 11.9390 12.9275 13.0486 k = 0.5776 0.0647 0.3308 ( 9517 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6995 -9.6036 -9.6031 -9.6005 -9.5990 -7.0804 -7.0790 -7.0538 -7.0499 -7.0437 -7.0415 -1.4094 -1.2918 -1.0002 -0.9751 -0.7703 -0.5269 -0.3549 -0.3453 -0.2801 -0.2735 0.4407 0.5366 3.4910 3.6911 5.4747 5.8110 7.0223 7.0793 9.2103 9.2155 11.5768 11.7186 12.0388 12.0578 12.8825 13.0129 k = 0.5819 0.0523 0.3379 ( 9513 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6036 -9.6030 -9.6006 -9.5990 -7.0803 -7.0789 -7.0538 -7.0495 -7.0438 -7.0413 -1.4089 -1.2893 -0.9992 -0.9716 -0.7722 -0.5242 -0.3538 -0.3423 -0.2805 -0.2729 0.4590 0.5552 3.4948 3.7118 5.3752 5.7262 6.9609 7.0171 9.1893 9.1983 11.6662 11.8155 12.1474 12.1609 12.8708 13.0029 k = 0.5862 0.0398 0.3449 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6035 -9.6029 -9.6006 -9.5989 -7.0803 -7.0787 -7.0538 -7.0491 -7.0440 -7.0412 -1.4083 -1.2872 -0.9983 -0.9684 -0.7734 -0.5220 -0.3528 -0.3394 -0.2809 -0.2723 0.4777 0.5738 3.4966 3.7303 5.2841 5.6501 6.9018 6.9575 9.1683 9.1807 11.7241 11.8743 12.2509 12.2553 12.9030 13.0284 k = 0.5905 0.0274 0.3519 ( 9520 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6034 -9.6027 -9.6007 -9.5988 -7.0803 -7.0786 -7.0537 -7.0487 -7.0442 -7.0410 -1.4076 -1.2855 -0.9974 -0.9655 -0.7739 -0.5201 -0.3519 -0.3367 -0.2813 -0.2716 0.4965 0.5921 3.4962 3.7459 5.2027 5.5831 6.8453 6.9008 9.1476 9.1632 11.7401 11.8854 12.3396 12.3721 12.9774 13.0904 k = 0.5948 0.0149 0.3590 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6034 -9.6026 -9.6007 -9.5988 -7.0802 -7.0785 -7.0537 -7.0483 -7.0444 -7.0409 -1.4068 -1.2842 -0.9967 -0.9630 -0.7736 -0.5186 -0.3511 -0.3341 -0.2817 -0.2710 0.5151 0.6098 3.4937 3.7581 5.1320 5.5258 6.7915 6.8468 9.1275 9.1461 11.7148 11.8545 12.4368 12.4988 13.0827 13.1813 k = 0.5991 0.0025 0.3660 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6033 -9.6025 -9.6008 -9.5987 -7.0802 -7.0784 -7.0537 -7.0479 -7.0446 -7.0407 -1.4060 -1.2832 -0.9960 -0.9609 -0.7727 -0.5174 -0.3504 -0.3317 -0.2821 -0.2703 0.5333 0.6267 3.4891 3.7661 5.0730 5.4783 6.7404 6.7959 9.1083 9.1295 11.6585 11.7946 12.5428 12.6312 13.2069 13.2907 k = 0.6034-0.0100 0.3731 ( 9520 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6033 -9.6024 -9.6008 -9.5987 -7.0802 -7.0783 -7.0536 -7.0475 -7.0448 -7.0406 -1.4050 -1.2826 -0.9955 -0.9593 -0.7711 -0.5165 -0.3497 -0.3294 -0.2826 -0.2697 0.5505 0.6425 3.4826 3.7695 5.0266 5.4410 6.6923 6.7481 9.0900 9.1138 11.5826 11.7170 12.6532 12.7645 13.3411 13.4097 k = 0.6078-0.0224 0.3801 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6032 -9.6022 -9.6009 -9.5986 -7.0802 -7.0783 -7.0536 -7.0472 -7.0449 -7.0404 -1.4040 -1.2822 -0.9950 -0.9581 -0.7689 -0.5160 -0.3491 -0.3273 -0.2831 -0.2691 0.5665 0.6568 3.4748 3.7683 4.9932 5.4136 6.6471 6.7034 9.0728 9.0990 11.4950 11.6287 12.7628 12.8944 13.4794 13.5312 k = 0.6121-0.0348 0.3871 ( 9524 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6031 -9.6021 -9.6009 -9.5986 -7.0802 -7.0782 -7.0536 -7.0468 -7.0451 -7.0403 -1.4030 -1.2822 -0.9946 -0.9573 -0.7663 -0.5157 -0.3486 -0.3254 -0.2837 -0.2685 0.5809 0.6693 3.4662 3.7628 4.9728 5.3960 6.6051 6.6620 9.0569 9.0853 11.4008 11.5345 12.8672 13.0163 13.6166 13.6490 k = 0.6164-0.0473 0.3942 ( 9532 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6031 -9.6021 -9.6010 -9.5986 -7.0802 -7.0782 -7.0536 -7.0466 -7.0452 -7.0402 -1.4019 -1.2825 -0.9943 -0.9569 -0.7632 -0.5158 -0.3481 -0.3236 -0.2843 -0.2680 0.5931 0.6796 3.4577 3.7539 4.9651 5.3879 6.5662 6.6240 9.0423 9.0728 11.3031 11.4370 12.9625 13.1257 13.7469 13.7572 k = 0.6207-0.0597 0.4012 ( 9536 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6020 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0464 -7.0452 -7.0401 -1.4007 -1.2831 -0.9941 -0.9569 -0.7598 -0.5162 -0.3477 -0.3221 -0.2849 -0.2676 0.6028 0.6873 3.4502 3.7429 4.9690 5.3887 6.5306 6.5894 9.0290 9.0616 11.2039 11.3382 13.0458 13.2174 13.8509 13.8611 k = 0.6250-0.0722 0.4082 ( 9547 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0465 -7.0450 -7.0400 -1.3996 -1.2839 -0.9940 -0.9572 -0.7562 -0.5169 -0.3473 -0.3206 -0.2857 -0.2673 0.6095 0.6921 3.4446 3.7312 4.9835 5.3978 6.4983 6.5583 9.0173 9.0518 11.1044 11.2392 13.1146 13.2880 13.9264 13.9476 k = 0.6250-0.0722 0.4082 ( 9547 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0465 -7.0450 -7.0400 -1.3996 -1.2839 -0.9940 -0.9572 -0.7562 -0.5169 -0.3473 -0.3206 -0.2857 -0.2673 0.6095 0.6921 3.4446 3.7312 4.9835 5.3978 6.4983 6.5583 9.0173 9.0518 11.1044 11.2392 13.1146 13.2880 13.9264 13.9476 k = 0.6176-0.0679 0.4203 ( 9533 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0465 -7.0450 -7.0400 -1.3996 -1.2837 -0.9939 -0.9572 -0.7565 -0.5167 -0.3473 -0.3206 -0.2857 -0.2673 0.6099 0.6926 3.4446 3.7315 4.9843 5.3990 6.4881 6.5527 9.0277 9.0643 11.1043 11.2395 13.0936 13.2638 13.9126 13.9970 k = 0.6103-0.0637 0.4323 ( 9538 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0464 -7.0450 -7.0401 -1.3998 -1.2834 -0.9935 -0.9572 -0.7573 -0.5162 -0.3472 -0.3203 -0.2859 -0.2674 0.6110 0.6937 3.4448 3.7324 4.9867 5.4025 6.4593 6.5355 9.0587 9.1005 11.1040 11.2403 13.0366 13.1989 13.9120 14.0790 k = 0.6029-0.0594 0.4443 ( 9542 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0781 -7.0535 -7.0463 -7.0450 -7.0401 -1.4001 -1.2828 -0.9929 -0.9572 -0.7585 -0.5154 -0.3472 -0.3200 -0.2862 -0.2674 0.6128 0.6957 3.4451 3.7339 4.9907 5.4082 6.4152 6.5061 9.1099 9.1579 11.1033 11.2417 12.9555 13.1082 13.8964 14.1012 k = 0.5956-0.0552 0.4563 ( 9532 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5985 -7.0803 -7.0780 -7.0535 -7.0463 -7.0450 -7.0402 -1.4005 -1.2821 -0.9920 -0.9573 -0.7602 -0.5144 -0.3471 -0.3195 -0.2865 -0.2675 0.6152 0.6984 3.4455 3.7359 4.9961 5.4163 6.3592 6.4654 9.1798 9.2336 11.1022 11.2437 12.8604 13.0040 13.8388 13.9977 k = 0.5882-0.0509 0.4683 ( 9533 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6019 -9.6011 -9.5985 -7.0803 -7.0780 -7.0536 -7.0461 -7.0450 -7.0403 -1.4009 -1.2812 -0.9910 -0.9573 -0.7623 -0.5131 -0.3471 -0.3189 -0.2870 -0.2676 0.6183 0.7018 3.4459 3.7385 5.0030 5.4267 6.2945 6.4151 9.2663 9.3244 11.1005 11.2462 12.7579 12.8938 13.7483 13.8768 k = 0.5809-0.0467 0.4803 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6019 -9.6011 -9.5985 -7.0803 -7.0779 -7.0536 -7.0460 -7.0450 -7.0404 -1.4015 -1.2801 -0.9897 -0.9574 -0.7647 -0.5117 -0.3470 -0.3181 -0.2875 -0.2676 0.6219 0.7057 3.4463 3.7414 5.0110 5.4393 6.2240 6.3574 9.3666 9.4276 11.0979 11.2496 12.6520 12.7819 13.6425 13.7534 k = 0.5735-0.0425 0.4923 ( 9530 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6019 -9.6011 -9.5984 -7.0804 -7.0778 -7.0536 -7.0459 -7.0450 -7.0406 -1.4020 -1.2790 -0.9884 -0.9575 -0.7673 -0.5102 -0.3469 -0.3173 -0.2881 -0.2678 0.6260 0.7102 3.4466 3.7447 5.0201 5.4541 6.1503 6.2945 9.4780 9.5401 11.0943 11.2537 12.5456 12.6710 13.5313 13.6310 k = 0.5662-0.0382 0.5043 ( 9518 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6019 -9.6011 -9.5984 -7.0804 -7.0777 -7.0536 -7.0457 -7.0449 -7.0407 -1.4026 -1.2778 -0.9869 -0.9575 -0.7700 -0.5086 -0.3469 -0.3164 -0.2887 -0.2679 0.6305 0.7151 3.4468 3.7482 5.0300 5.4711 6.0756 6.2287 9.5977 9.6593 11.0894 11.2590 12.4406 12.5630 13.4197 13.5112 k = 0.5588-0.0340 0.5163 ( 9510 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6019 -9.6012 -9.5984 -7.0804 -7.0776 -7.0536 -7.0455 -7.0449 -7.0409 -1.4032 -1.2767 -0.9854 -0.9576 -0.7728 -0.5070 -0.3468 -0.3154 -0.2893 -0.2680 0.6353 0.7202 3.4468 3.7518 5.0403 5.4902 6.0022 6.1617 9.7226 9.7823 11.0829 11.2658 12.3386 12.4592 13.3106 13.3952 k = 0.5515-0.0297 0.5283 ( 9510 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6019 -9.6012 -9.5983 -7.0804 -7.0775 -7.0536 -7.0454 -7.0448 -7.0411 -1.4037 -1.2755 -0.9839 -0.9576 -0.7755 -0.5055 -0.3468 -0.3144 -0.2899 -0.2682 0.6402 0.7254 3.4465 3.7553 5.0506 5.5114 5.9321 6.0952 9.8497 9.9063 11.0747 11.2747 12.2413 12.3609 13.2060 13.2843 k = 0.5441-0.0255 0.5403 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6019 -9.6012 -9.5983 -7.0805 -7.0774 -7.0536 -7.0453 -7.0447 -7.0413 -1.4042 -1.2744 -0.9824 -0.9575 -0.7781 -0.5041 -0.3468 -0.3134 -0.2904 -0.2683 0.6451 0.7306 3.4459 3.7587 5.0606 5.5345 5.8671 6.0306 9.9750 10.0278 11.0650 11.2864 12.1503 12.2692 13.1078 13.1796 k = 0.5368-0.0212 0.5523 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6018 -9.6013 -9.5983 -7.0805 -7.0773 -7.0536 -7.0452 -7.0446 -7.0415 -1.4047 -1.2735 -0.9811 -0.9575 -0.7805 -0.5028 -0.3468 -0.3125 -0.2909 -0.2685 0.6499 0.7356 3.4451 3.7617 5.0696 5.5593 5.8090 5.9691 10.0937 10.1436 11.0544 11.3019 12.0674 12.1852 13.0179 13.0827 k = 0.5294-0.0170 0.5643 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6018 -9.6013 -9.5983 -7.0805 -7.0772 -7.0537 -7.0451 -7.0445 -7.0417 -1.4051 -1.2726 -0.9800 -0.9573 -0.7825 -0.5018 -0.3468 -0.3117 -0.2913 -0.2686 0.6543 0.7402 3.4441 3.7643 5.0770 5.5853 5.7599 5.9116 10.1997 10.2494 11.0442 11.3219 11.9953 12.1100 12.9384 12.9952 k = 0.5221-0.0127 0.5764 ( 9524 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6018 -9.6013 -9.5982 -7.0805 -7.0772 -7.0537 -7.0451 -7.0444 -7.0418 -1.4054 -1.2719 -0.9791 -0.9572 -0.7842 -0.5009 -0.3468 -0.3111 -0.2916 -0.2687 0.6581 0.7442 3.4429 3.7663 5.0826 5.6113 5.7220 5.8591 10.2867 10.3402 11.0366 11.3460 11.9370 12.0450 12.8718 12.9196 k = 0.5147-0.0085 0.5884 ( 9519 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0450 -7.0443 -7.0420 -1.4057 -1.2714 -0.9784 -0.9570 -0.7854 -0.5003 -0.3468 -0.3107 -0.2917 -0.2688 0.6611 0.7473 3.4418 3.7677 5.0860 5.6331 5.7005 5.8124 10.3498 10.4093 11.0337 11.3715 11.8957 11.9925 12.8210 12.8590 k = 0.5074-0.0042 0.6004 ( 9523 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0449 -7.0442 -7.0420 -1.4058 -1.2711 -0.9781 -0.9569 -0.7862 -0.4999 -0.3468 -0.3104 -0.2918 -0.2689 0.6631 0.7494 3.4409 3.7685 5.0874 5.6411 5.7041 5.7729 10.3871 10.4510 11.0353 11.3924 11.8736 11.9565 12.7887 12.8181 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0449 -7.0442 -7.0421 -1.4058 -1.2710 -0.9779 -0.9569 -0.7865 -0.4997 -0.3468 -0.3103 -0.2918 -0.2689 0.6638 0.7501 3.4406 3.7687 5.0877 5.6405 5.7180 5.7504 10.3990 10.4642 11.0374 11.4008 11.8677 11.9434 12.7773 12.8031 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0449 -7.0442 -7.0421 -1.4058 -1.2710 -0.9779 -0.9569 -0.7865 -0.4997 -0.3468 -0.3103 -0.2918 -0.2689 0.6638 0.7501 3.4406 3.7687 5.0877 5.6405 5.7180 5.7504 10.3990 10.4642 11.0374 11.4008 11.8677 11.9434 12.7773 12.8031 k = 0.5000 0.0087 0.6000 ( 9520 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6017 -9.6014 -9.5982 -7.0805 -7.0771 -7.0537 -7.0450 -7.0442 -7.0421 -1.4059 -1.2711 -0.9780 -0.9569 -0.7865 -0.4998 -0.3469 -0.3106 -0.2917 -0.2689 0.6624 0.7488 3.4416 3.7697 5.0849 5.6423 5.6940 5.7868 10.3942 10.4567 11.0400 11.4016 11.8582 11.9559 12.7814 12.8123 k = 0.5000 0.0175 0.5876 ( 9518 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6018 -9.6013 -9.5982 -7.0805 -7.0771 -7.0537 -7.0452 -7.0441 -7.0421 -1.4060 -1.2712 -0.9784 -0.9570 -0.7866 -0.5001 -0.3470 -0.3114 -0.2912 -0.2690 0.6582 0.7450 3.4448 3.7726 5.0775 5.6284 5.6945 5.8416 10.3802 10.4352 11.0465 11.4030 11.8416 11.9833 12.7957 12.8372 k = 0.5000 0.0262 0.5753 ( 9524 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6019 -9.6013 -9.5982 -7.0805 -7.0772 -7.0537 -7.0454 -7.0440 -7.0420 -1.4061 -1.2715 -0.9789 -0.9573 -0.7867 -0.5006 -0.3471 -0.3127 -0.2905 -0.2691 0.6512 0.7387 3.4497 3.7769 5.0679 5.6008 5.7282 5.9026 10.3580 10.4023 11.0540 11.4013 11.8310 12.0172 12.8221 12.8738 k = 0.5000 0.0350 0.5629 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6020 -9.6012 -9.5983 -7.0805 -7.0772 -7.0537 -7.0457 -7.0439 -7.0420 -1.4064 -1.2719 -0.9796 -0.9576 -0.7868 -0.5013 -0.3473 -0.3143 -0.2897 -0.2692 0.6417 0.7300 3.4562 3.7821 5.0591 5.5762 5.7770 5.9684 10.3286 10.3607 11.0589 11.3922 11.8340 12.0563 12.8605 12.9192 k = 0.5000 0.0437 0.5505 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6021 -9.6011 -9.5983 -7.0805 -7.0773 -7.0537 -7.0460 -7.0438 -7.0420 -1.4066 -1.2724 -0.9805 -0.9581 -0.7869 -0.5022 -0.3476 -0.3163 -0.2888 -0.2694 0.6299 0.7192 3.4637 3.7872 5.0539 5.5582 5.8360 6.0383 10.2935 10.3131 11.0584 11.3725 11.8547 12.1014 12.9094 12.9711 k = 0.5000 0.0525 0.5381 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6022 -9.6011 -9.5984 -7.0805 -7.0774 -7.0537 -7.0463 -7.0437 -7.0420 -1.4069 -1.2731 -0.9816 -0.9588 -0.7869 -0.5032 -0.3479 -0.3185 -0.2879 -0.2696 0.6160 0.7064 3.4718 3.7914 5.0548 5.5481 5.9028 6.1120 10.2539 10.2616 11.0509 11.3419 11.8934 12.1533 12.9671 13.0270 k = 0.5000 0.0612 0.5258 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6023 -9.6010 -9.5984 -7.0805 -7.0775 -7.0537 -7.0467 -7.0436 -7.0420 -1.4073 -1.2740 -0.9828 -0.9598 -0.7868 -0.5045 -0.3483 -0.3209 -0.2870 -0.2699 0.6002 0.6919 3.4799 3.7936 5.0638 5.5466 5.9757 6.1891 10.2073 10.2115 11.0360 11.3024 11.9476 12.2123 13.0314 13.0843 k = 0.5000 0.0700 0.5134 ( 9532 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6024 -9.6009 -9.5985 -7.0805 -7.0776 -7.0537 -7.0471 -7.0435 -7.0419 -1.4077 -1.2750 -0.9841 -0.9610 -0.7866 -0.5060 -0.3488 -0.3234 -0.2861 -0.2702 0.5830 0.6760 3.4874 3.7932 5.0823 5.5541 6.0536 6.2692 10.1521 10.1664 11.0140 11.2566 12.0142 12.2785 13.0994 13.1397 k = 0.5000 0.0787 0.5010 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6031 -9.6025 -9.6009 -9.5985 -7.0805 -7.0778 -7.0537 -7.0475 -7.0434 -7.0419 -1.4081 -1.2763 -0.9855 -0.9625 -0.7860 -0.5077 -0.3493 -0.3261 -0.2852 -0.2706 0.5646 0.6588 3.4938 3.7894 5.1115 5.5712 6.1356 6.3520 10.0962 10.1199 10.9859 11.2067 12.0902 12.3510 13.1630 13.1923 k = 0.5000 0.0875 0.4887 ( 9530 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6032 -9.6026 -9.6008 -9.5986 -7.0805 -7.0779 -7.0537 -7.0478 -7.0434 -7.0419 -1.4085 -1.2777 -0.9870 -0.9643 -0.7852 -0.5097 -0.3499 -0.3289 -0.2844 -0.2711 0.5454 0.6406 3.4988 3.7821 5.1517 5.5980 6.2212 6.4373 10.0403 10.0726 10.9527 11.1542 12.1730 12.4287 13.1976 13.2522 k = 0.5000 0.0962 0.4763 ( 9518 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6032 -9.6027 -9.6007 -9.5987 -7.0805 -7.0780 -7.0537 -7.0482 -7.0433 -7.0420 -1.4090 -1.2795 -0.9886 -0.9664 -0.7840 -0.5118 -0.3506 -0.3319 -0.2836 -0.2715 0.5256 0.6217 3.5021 3.7711 5.2029 5.6346 6.3098 6.5248 9.9847 10.0250 10.9155 11.1004 12.2602 12.5102 13.1905 13.3071 k = 0.5000 0.1050 0.4639 ( 9530 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6033 -9.6028 -9.6007 -9.5987 -7.0805 -7.0782 -7.0537 -7.0486 -7.0432 -7.0420 -1.4094 -1.2815 -0.9902 -0.9689 -0.7824 -0.5143 -0.3514 -0.3349 -0.2829 -0.2720 0.5055 0.6023 3.5034 3.7568 5.2650 5.6811 6.4009 6.6143 9.9297 9.9773 10.8753 11.0460 12.3491 12.5926 13.1348 13.3194 k = 0.5000 0.1137 0.4515 ( 9532 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6034 -9.6029 -9.6007 -9.5988 -7.0805 -7.0784 -7.0538 -7.0490 -7.0432 -7.0420 -1.4097 -1.2838 -0.9919 -0.9716 -0.7804 -0.5170 -0.3523 -0.3380 -0.2822 -0.2725 0.4855 0.5827 3.5026 3.7396 5.3373 5.7372 6.4942 6.7053 9.8755 9.9300 10.8329 10.9914 12.4344 12.6706 13.0347 13.2401 k = 0.5000 0.1225 0.4392 ( 9530 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6035 -9.6031 -9.6006 -9.5989 -7.0805 -7.0786 -7.0538 -7.0494 -7.0431 -7.0421 -1.4100 -1.2864 -0.9936 -0.9746 -0.7779 -0.5199 -0.3533 -0.3411 -0.2816 -0.2730 0.4658 0.5629 3.5000 3.7199 5.4191 5.8026 6.5893 6.7978 9.8221 9.8830 10.7890 10.9372 12.5016 12.7265 12.9167 13.1054 k = 0.5000 0.1312 0.4268 ( 9524 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6035 -9.6032 -9.6006 -9.5990 -7.0805 -7.0787 -7.0538 -7.0498 -7.0431 -7.0421 -1.4103 -1.2893 -0.9953 -0.9778 -0.7749 -0.5232 -0.3544 -0.3443 -0.2810 -0.2735 0.4466 0.5433 3.4955 3.6985 5.5097 5.8769 6.6859 6.8913 9.7694 9.8366 10.7441 10.8835 12.5029 12.7005 12.8411 13.0229 k = 0.5000 0.1400 0.4144 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6995 -9.6036 -9.6033 -9.6005 -9.5991 -7.0806 -7.0789 -7.0539 -7.0502 -7.0430 -7.0422 -1.4104 -1.2925 -0.9970 -0.9811 -0.7714 -0.5268 -0.3556 -0.3476 -0.2804 -0.2740 0.4281 0.5239 3.4894 3.6757 5.6082 5.9597 6.7836 6.9855 9.7176 9.7906 10.6988 10.8306 12.3926 12.5579 12.8608 13.0450 k = 0.5000 0.1487 0.4021 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6037 -9.6034 -9.6005 -9.5992 -7.0806 -7.0791 -7.0539 -7.0506 -7.0430 -7.0422 -1.4104 -1.2961 -0.9988 -0.9846 -0.7674 -0.5308 -0.3569 -0.3508 -0.2799 -0.2745 0.4105 0.5048 3.4820 3.6522 5.7140 6.0503 6.8823 7.0802 9.6663 9.7450 10.6535 10.7785 12.2236 12.3686 12.9282 13.1016 k = 0.5000 0.1575 0.3897 ( 9528 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6037 -9.6035 -9.6005 -9.5992 -7.0806 -7.0793 -7.0539 -7.0510 -7.0429 -7.0423 -1.4103 -1.3001 -1.0005 -0.9881 -0.7628 -0.5352 -0.3582 -0.3540 -0.2794 -0.2748 0.3940 0.4863 3.4736 3.6283 5.8261 6.1480 6.9815 7.1749 9.6154 9.6996 10.6083 10.7273 12.0362 12.1678 13.0016 13.1539 k = 0.5000 0.1662 0.3773 ( 9534 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6038 -9.6036 -9.6004 -9.5993 -7.0807 -7.0795 -7.0540 -7.0513 -7.0429 -7.0423 -1.4101 -1.3043 -1.0023 -0.9915 -0.7578 -0.5400 -0.3597 -0.3572 -0.2789 -0.2752 0.3787 0.4683 3.4644 3.6046 5.9440 6.2523 7.0809 7.2694 9.5645 9.6539 10.5637 10.6771 11.8430 11.9654 13.0620 13.1857 k = 0.5000 0.1750 0.3649 ( 9532 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6039 -9.6037 -9.6004 -9.5994 -7.0807 -7.0797 -7.0540 -7.0516 -7.0428 -7.0423 -1.4096 -1.3089 -1.0039 -0.9949 -0.7523 -0.5452 -0.3612 -0.3602 -0.2784 -0.2755 0.3646 0.4510 3.4548 3.5812 6.0668 6.3624 7.1803 7.3631 9.5133 9.6076 10.5198 10.6280 11.6496 11.7651 13.0954 13.1879 k = 0.5000 0.1837 0.3526 ( 9524 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6040 -9.6038 -9.6004 -9.5995 -7.0807 -7.0798 -7.0541 -7.0519 -7.0428 -7.0424 -1.4089 -1.3138 -1.0056 -0.9982 -0.7463 -0.5508 -0.3631 -0.3627 -0.2780 -0.2757 0.3519 0.4344 3.4451 3.5585 6.1938 6.4774 7.2792 7.4558 9.4612 9.5600 10.4771 10.5800 11.4590 11.5691 13.0930 13.1598 k = 0.5000 0.1925 0.3402 ( 9532 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6040 -9.6039 -9.6004 -9.5996 -7.0808 -7.0800 -7.0541 -7.0522 -7.0427 -7.0424 -1.4080 -1.3189 -1.0072 -1.0013 -0.7399 -0.5570 -0.3658 -0.3643 -0.2776 -0.2758 0.3405 0.4186 3.4355 3.5367 6.3243 6.5965 7.3775 7.5469 9.4076 9.5102 10.4356 10.5332 11.2738 11.3791 13.0584 13.1076 k = 0.5000 0.2012 0.3278 ( 9526 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6041 -9.6040 -9.6004 -9.5997 -7.0808 -7.0802 -7.0542 -7.0525 -7.0427 -7.0424 -1.4069 -1.3242 -1.0087 -1.0041 -0.7330 -0.5635 -0.3683 -0.3659 -0.2773 -0.2759 0.3306 0.4037 3.4263 3.5160 6.4573 6.7186 7.4748 7.6362 9.3514 9.4570 10.3958 10.4877 11.0963 11.1969 13.0031 13.0407 k = 0.5000 0.2099 0.3155 ( 9528 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6041 -9.6041 -9.6003 -9.5997 -7.0809 -7.0803 -7.0542 -7.0528 -7.0427 -7.0425 -1.4054 -1.3297 -1.0102 -1.0067 -0.7258 -0.5706 -0.3706 -0.3675 -0.2769 -0.2759 0.3221 0.3897 3.4177 3.4965 6.5919 6.8423 7.5710 7.7232 9.2918 9.3990 10.3579 10.4437 10.9289 11.0243 12.9378 12.9673 k = 0.5000 0.2187 0.3031 ( 9524 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6042 -9.6041 -9.6003 -9.5998 -7.0809 -7.0804 -7.0542 -7.0530 -7.0426 -7.0425 -1.4037 -1.3353 -1.0116 -1.0091 -0.7181 -0.5780 -0.3726 -0.3691 -0.2766 -0.2759 0.3151 0.3765 3.4099 3.4785 6.7269 6.9661 7.6660 7.8078 9.2275 9.3346 10.3225 10.4014 10.7742 10.8631 12.8700 12.8934 k = 0.5000 0.2274 0.2907 ( 9526 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6042 -9.6042 -9.6003 -9.5999 -7.0810 -7.0806 -7.0543 -7.0532 -7.0426 -7.0425 -1.4017 -1.3410 -1.0128 -1.0111 -0.7102 -0.5859 -0.3743 -0.3706 -0.2764 -0.2759 0.3095 0.3644 3.4030 3.4619 6.8607 7.0875 7.7601 7.8900 9.1573 9.2620 10.2899 10.3611 10.6346 10.7156 12.8041 12.8227 k = 0.5000 0.2362 0.2784 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6043 -9.6043 -9.6003 -9.5999 -7.0810 -7.0807 -7.0543 -7.0534 -7.0426 -7.0425 -1.3993 -1.3466 -1.0140 -1.0129 -0.7019 -0.5941 -0.3756 -0.3720 -0.2761 -0.2758 0.3053 0.3532 3.3973 3.4469 6.9914 7.2035 7.8539 7.9703 9.0802 9.1797 10.2607 10.3232 10.5128 10.5838 12.7432 12.7578 k = 0.5000 0.2449 0.2660 ( 9518 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6043 -9.6043 -9.6003 -9.6000 -7.0810 -7.0808 -7.0543 -7.0536 -7.0426 -7.0425 -1.3966 -1.3522 -1.0150 -1.0143 -0.6934 -0.6026 -0.3767 -0.3733 -0.2759 -0.2758 0.3025 0.3430 3.3928 3.4336 7.1165 7.3100 7.9487 8.0495 8.9955 9.0868 10.2356 10.2883 10.4105 10.4697 12.6892 12.7006 k = 0.5000 0.2537 0.2536 ( 9514 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6043 -9.6043 -9.6003 -9.6000 -7.0811 -7.0809 -7.0543 -7.0537 -7.0425 -7.0425 -1.3935 -1.3578 -1.0158 -1.0155 -0.6846 -0.6114 -0.3775 -0.3746 -0.2758 -0.2757 0.3011 0.3338 3.3896 3.4219 7.2329 7.4020 8.0463 8.1291 8.9035 8.9837 10.2151 10.2568 10.3290 10.3747 12.6436 12.6522 k = 0.5000 0.2624 0.2412 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6001 -7.0811 -7.0809 -7.0543 -7.0539 -7.0425 -7.0425 -1.3901 -1.3631 -1.0165 -1.0164 -0.6757 -0.6204 -0.3780 -0.3756 -0.2757 -0.2756 0.3009 0.3257 3.3880 3.4119 7.3366 7.4736 8.1490 8.2110 8.8054 8.8717 10.1998 10.2291 10.2685 10.2997 12.6074 12.6135 k = 0.5000 0.2712 0.2289 ( 9532 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6001 -7.0811 -7.0810 -7.0543 -7.0540 -7.0425 -7.0425 -1.3864 -1.3683 -1.0171 -1.0170 -0.6666 -0.6295 -0.3782 -0.3766 -0.2756 -0.2756 0.3021 0.3187 3.3878 3.4037 7.4230 7.5201 8.2576 8.2965 8.7037 8.7535 10.1904 10.2061 10.2285 10.2448 12.5813 12.5852 k = 0.5000 0.2799 0.2165 ( 9546 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6001 -7.0811 -7.0810 -7.0542 -7.0541 -7.0425 -7.0425 -1.3823 -1.3733 -1.0174 -1.0174 -0.6574 -0.6388 -0.3781 -0.3773 -0.2755 -0.2755 0.3044 0.3128 3.3893 3.3972 7.4879 7.5382 8.3701 8.3852 8.6036 8.6338 10.1871 10.1912 10.2054 10.2097 12.5658 12.5677 k = 0.5000 0.2887 0.2041 ( 9558 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6002 -7.0811 -7.0811 -7.0542 -7.0542 -7.0425 -7.0425 -1.3779 -1.3779 -1.0175 -1.0175 -0.6481 -0.6481 -0.3778 -0.3778 -0.2755 -0.2755 0.3080 0.3080 3.3924 3.3924 7.5271 7.5271 8.4515 8.4515 8.5414 8.5414 10.1880 10.1880 10.1960 10.1960 12.5612 12.5612 k = 0.5000 0.2887 0.2041 ( 9558 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6002 -7.0811 -7.0811 -7.0542 -7.0542 -7.0425 -7.0425 -1.3779 -1.3779 -1.0175 -1.0175 -0.6481 -0.6481 -0.3778 -0.3778 -0.2755 -0.2755 0.3080 0.3080 3.3924 3.3924 7.5271 7.5271 8.4515 8.4515 8.5414 8.5414 10.1880 10.1880 10.1960 10.1960 12.5612 12.5612 k = 0.4957 0.2862 0.2182 ( 9550 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6001 -7.0811 -7.0810 -7.0542 -7.0541 -7.0425 -7.0425 -1.3823 -1.3733 -1.0174 -1.0174 -0.6572 -0.6389 -0.3781 -0.3773 -0.2755 -0.2755 0.3045 0.3127 3.3893 3.3971 7.4886 7.5383 8.3719 8.3863 8.6022 8.6320 10.1885 10.1893 10.2069 10.2081 12.5656 12.5675 k = 0.4914 0.2837 0.2323 ( 9529 PWs) bands (ev): -38.8355 -38.8355 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6001 -7.0811 -7.0810 -7.0543 -7.0540 -7.0425 -7.0425 -1.3863 -1.3685 -1.0171 -1.0170 -0.6663 -0.6298 -0.3782 -0.3766 -0.2756 -0.2756 0.3021 0.3185 3.3878 3.4035 7.4253 7.5210 8.2618 8.2981 8.7013 8.7495 10.1957 10.1977 10.2359 10.2375 12.5807 12.5846 k = 0.4871 0.2812 0.2464 ( 9525 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6044 -9.6044 -9.6002 -9.6001 -7.0811 -7.0809 -7.0543 -7.0539 -7.0425 -7.0425 -1.3900 -1.3634 -1.0166 -1.0164 -0.6753 -0.6208 -0.3780 -0.3757 -0.2757 -0.2756 0.3009 0.3254 3.3879 3.4115 7.3407 7.4759 8.1568 8.2118 8.8025 8.8646 10.2118 10.2140 10.2815 10.2835 12.6060 12.6121 k = 0.4828 0.2787 0.2604 ( 9517 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6044 -9.6043 -9.6003 -9.6000 -7.0811 -7.0809 -7.0543 -7.0537 -7.0425 -7.0425 -1.3933 -1.3581 -1.0159 -1.0155 -0.6841 -0.6119 -0.3775 -0.3746 -0.2758 -0.2757 0.3010 0.3333 3.3895 3.4213 7.2393 7.4058 8.0599 8.1283 8.9003 8.9717 10.2385 10.2389 10.3428 10.3455 12.6413 12.6497 k = 0.4784 0.2762 0.2745 ( 9523 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6043 -9.6043 -9.6003 -9.6000 -7.0810 -7.0808 -7.0543 -7.0536 -7.0426 -7.0425 -1.3964 -1.3526 -1.0151 -1.0143 -0.6928 -0.6033 -0.3768 -0.3734 -0.2759 -0.2758 0.3024 0.3423 3.3925 3.4327 7.1251 7.3149 7.9707 8.0469 8.9908 9.0668 10.2740 10.2779 10.4186 10.4222 12.6858 12.6968 k = 0.4741 0.2737 0.2886 ( 9521 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6043 -9.6043 -9.6003 -9.5999 -7.0810 -7.0807 -7.0543 -7.0534 -7.0426 -7.0425 -1.3991 -1.3471 -1.0142 -1.0128 -0.7012 -0.5948 -0.3757 -0.3721 -0.2761 -0.2758 0.3050 0.3522 3.3968 3.4457 7.0017 7.2084 7.8874 7.9667 9.0708 9.1468 10.3207 10.3319 10.5075 10.5122 12.7388 12.7526 k = 0.4698 0.2713 0.3027 ( 9531 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6042 -9.6042 -9.6003 -9.5999 -7.0810 -7.0806 -7.0543 -7.0532 -7.0426 -7.0425 -1.4014 -1.3416 -1.0132 -1.0110 -0.7093 -0.5867 -0.3744 -0.3707 -0.2764 -0.2759 0.3090 0.3632 3.4024 3.4603 6.8722 7.0915 7.8078 7.8872 9.1378 9.2098 10.3805 10.4017 10.6081 10.6140 12.7991 12.8161 k = 0.4655 0.2688 0.3167 ( 9523 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6042 -9.6041 -9.6003 -9.5998 -7.0809 -7.0805 -7.0542 -7.0530 -7.0427 -7.0424 -1.4035 -1.3360 -1.0121 -1.0089 -0.7172 -0.5790 -0.3728 -0.3692 -0.2766 -0.2759 0.3144 0.3751 3.4090 3.4765 6.7388 6.9681 7.7305 7.8082 9.1907 9.2557 10.4538 10.4868 10.7191 10.7259 12.8653 12.8854 k = 0.4612 0.2663 0.3308 ( 9519 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6042 -9.6041 -9.6003 -9.5997 -7.0809 -7.0803 -7.0542 -7.0528 -7.0427 -7.0424 -1.4052 -1.3305 -1.0110 -1.0065 -0.7247 -0.5716 -0.3708 -0.3677 -0.2769 -0.2759 0.3211 0.3879 3.4166 3.4941 6.6035 6.8414 7.6546 7.7296 9.2296 9.2859 10.5400 10.5856 10.8390 10.8465 12.9352 12.9581 k = 0.4569 0.2638 0.3449 ( 9513 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6041 -9.6040 -9.6003 -9.5997 -7.0808 -7.0802 -7.0542 -7.0525 -7.0428 -7.0423 -1.4066 -1.3251 -1.0097 -1.0037 -0.7318 -0.5647 -0.3686 -0.3662 -0.2772 -0.2759 0.3293 0.4016 3.4249 3.5131 6.4675 6.7138 7.5796 7.6518 9.2557 9.3027 10.6376 10.6958 10.9664 10.9744 13.0057 13.0300 k = 0.4526 0.2613 0.3590 ( 9514 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6040 -9.6039 -9.6004 -9.5996 -7.0808 -7.0800 -7.0541 -7.0523 -7.0429 -7.0423 -1.4078 -1.3199 -1.0085 -1.0007 -0.7385 -0.5583 -0.3662 -0.3646 -0.2776 -0.2758 0.3388 0.4161 3.4339 3.5333 6.3321 6.5868 7.5054 7.5748 9.2709 9.3088 10.7447 10.8147 11.0997 11.1081 13.0719 13.0938 k = 0.4483 0.2588 0.3731 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6040 -9.6038 -9.6004 -9.5995 -7.0807 -7.0799 -7.0541 -7.0520 -7.0429 -7.0422 -1.4086 -1.3149 -1.0072 -0.9974 -0.7447 -0.5524 -0.3635 -0.3631 -0.2779 -0.2756 0.3497 0.4315 3.4432 3.5546 6.1983 6.4620 7.4321 7.4989 9.2772 9.3067 10.8592 10.9401 11.2375 11.2462 13.1264 13.1373 k = 0.4440 0.2563 0.3871 ( 9524 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6039 -9.6037 -9.6004 -9.5994 -7.0807 -7.0797 -7.0540 -7.0517 -7.0430 -7.0421 -1.4093 -1.3102 -1.0060 -0.9939 -0.7505 -0.5469 -0.3616 -0.3606 -0.2783 -0.2754 0.3620 0.4476 3.4526 3.5768 6.0669 6.3404 7.3599 7.4243 9.2764 9.2983 10.9790 11.0702 11.3779 11.3871 13.1467 13.1597 k = 0.4397 0.2538 0.4012 ( 9516 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6039 -9.6036 -9.6004 -9.5994 -7.0806 -7.0796 -7.0540 -7.0514 -7.0431 -7.0420 -1.4097 -1.3058 -1.0047 -0.9902 -0.7557 -0.5419 -0.3601 -0.3576 -0.2786 -0.2752 0.3755 0.4644 3.4618 3.5996 5.9388 6.2229 7.2890 7.3513 9.2703 9.2854 11.1021 11.2031 11.5190 11.5293 13.1170 13.1638 k = 0.4353 0.2513 0.4153 ( 9513 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6038 -9.6035 -9.6005 -9.5993 -7.0805 -7.0794 -7.0539 -7.0510 -7.0433 -7.0419 -1.4099 -1.3017 -1.0035 -0.9864 -0.7603 -0.5375 -0.3587 -0.3546 -0.2790 -0.2748 0.3903 0.4818 3.4706 3.6229 5.8147 6.1104 7.2196 7.2801 9.2601 9.2692 11.2265 11.3373 11.6585 11.6706 13.0597 13.1391 k = 0.4310 0.2489 0.4294 ( 9518 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6038 -9.6034 -9.6005 -9.5992 -7.0805 -7.0793 -7.0539 -7.0507 -7.0434 -7.0418 -1.4099 -1.2981 -1.0024 -0.9826 -0.7643 -0.5335 -0.3573 -0.3515 -0.2794 -0.2745 0.4061 0.4997 3.4786 3.6462 5.6954 6.0038 7.1519 7.2109 9.2470 9.2508 11.3498 11.4707 11.7936 11.8084 12.9914 13.0957 k = 0.4267 0.2464 0.4434 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6995 -38.6995 -9.6037 -9.6032 -9.6005 -9.5991 -7.0804 -7.0791 -7.0539 -7.0503 -7.0435 -7.0416 -1.4097 -1.2947 -1.0012 -0.9788 -0.7676 -0.5300 -0.3561 -0.3483 -0.2798 -0.2740 0.4230 0.5180 3.4855 3.6691 5.5818 5.9037 7.0861 7.1439 9.2310 9.2319 11.4683 11.5998 11.9213 11.9390 12.9275 13.0486 k = 0.4224 0.2439 0.4575 ( 9517 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6995 -9.6036 -9.6031 -9.6005 -9.5990 -7.0804 -7.0790 -7.0538 -7.0499 -7.0437 -7.0415 -1.4094 -1.2918 -1.0002 -0.9751 -0.7703 -0.5269 -0.3549 -0.3453 -0.2801 -0.2735 0.4407 0.5366 3.4910 3.6911 5.4747 5.8110 7.0223 7.0793 9.2103 9.2155 11.5768 11.7186 12.0388 12.0578 12.8825 13.0129 k = 0.4181 0.2414 0.4716 ( 9513 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6036 -9.6030 -9.6006 -9.5990 -7.0803 -7.0789 -7.0538 -7.0495 -7.0438 -7.0413 -1.4089 -1.2893 -0.9992 -0.9716 -0.7722 -0.5242 -0.3538 -0.3423 -0.2805 -0.2729 0.4590 0.5552 3.4948 3.7118 5.3752 5.7262 6.9609 7.0171 9.1893 9.1983 11.6662 11.8155 12.1474 12.1609 12.8708 13.0029 k = 0.4138 0.2389 0.4857 ( 9522 PWs) bands (ev): -38.8354 -38.8354 -38.6996 -38.6996 -9.6035 -9.6029 -9.6006 -9.5989 -7.0803 -7.0787 -7.0538 -7.0491 -7.0440 -7.0412 -1.4083 -1.2872 -0.9983 -0.9684 -0.7734 -0.5220 -0.3528 -0.3394 -0.2809 -0.2723 0.4777 0.5738 3.4966 3.7303 5.2841 5.6501 6.9018 6.9575 9.1683 9.1807 11.7241 11.8743 12.2509 12.2553 12.9030 13.0284 k = 0.4095 0.2364 0.4998 ( 9520 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6034 -9.6027 -9.6007 -9.5988 -7.0803 -7.0786 -7.0537 -7.0487 -7.0442 -7.0410 -1.4076 -1.2855 -0.9974 -0.9655 -0.7739 -0.5201 -0.3519 -0.3367 -0.2813 -0.2716 0.4965 0.5921 3.4962 3.7459 5.2027 5.5831 6.8453 6.9008 9.1476 9.1632 11.7401 11.8854 12.3396 12.3721 12.9774 13.0904 k = 0.4052 0.2339 0.5138 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6034 -9.6026 -9.6007 -9.5988 -7.0802 -7.0785 -7.0537 -7.0483 -7.0444 -7.0409 -1.4068 -1.2842 -0.9967 -0.9630 -0.7736 -0.5186 -0.3511 -0.3341 -0.2817 -0.2710 0.5151 0.6098 3.4937 3.7581 5.1320 5.5258 6.7915 6.8468 9.1275 9.1461 11.7148 11.8545 12.4368 12.4988 13.0827 13.1813 k = 0.4009 0.2314 0.5279 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6033 -9.6025 -9.6008 -9.5987 -7.0802 -7.0784 -7.0537 -7.0479 -7.0446 -7.0407 -1.4060 -1.2832 -0.9960 -0.9609 -0.7727 -0.5174 -0.3504 -0.3317 -0.2821 -0.2703 0.5333 0.6267 3.4891 3.7661 5.0730 5.4783 6.7404 6.7959 9.1083 9.1295 11.6585 11.7946 12.5428 12.6312 13.2069 13.2907 k = 0.3966 0.2289 0.5420 ( 9520 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6033 -9.6024 -9.6008 -9.5987 -7.0802 -7.0783 -7.0536 -7.0475 -7.0448 -7.0406 -1.4050 -1.2826 -0.9955 -0.9593 -0.7711 -0.5165 -0.3497 -0.3294 -0.2826 -0.2697 0.5505 0.6425 3.4826 3.7695 5.0266 5.4410 6.6923 6.7481 9.0900 9.1138 11.5826 11.7170 12.6532 12.7645 13.3411 13.4097 k = 0.3922 0.2265 0.5561 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6032 -9.6022 -9.6009 -9.5986 -7.0802 -7.0783 -7.0536 -7.0472 -7.0449 -7.0404 -1.4040 -1.2822 -0.9950 -0.9581 -0.7689 -0.5160 -0.3491 -0.3273 -0.2831 -0.2691 0.5665 0.6568 3.4748 3.7683 4.9932 5.4136 6.6471 6.7034 9.0728 9.0990 11.4950 11.6287 12.7628 12.8944 13.4794 13.5312 k = 0.3879 0.2240 0.5701 ( 9524 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6031 -9.6021 -9.6009 -9.5986 -7.0802 -7.0782 -7.0536 -7.0468 -7.0451 -7.0403 -1.4030 -1.2822 -0.9946 -0.9573 -0.7663 -0.5157 -0.3486 -0.3254 -0.2837 -0.2685 0.5809 0.6693 3.4662 3.7628 4.9728 5.3960 6.6051 6.6620 9.0569 9.0853 11.4008 11.5345 12.8672 13.0163 13.6166 13.6490 k = 0.3836 0.2215 0.5842 ( 9532 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6031 -9.6021 -9.6010 -9.5986 -7.0802 -7.0782 -7.0536 -7.0466 -7.0452 -7.0402 -1.4019 -1.2825 -0.9943 -0.9569 -0.7632 -0.5158 -0.3481 -0.3236 -0.2843 -0.2680 0.5931 0.6796 3.4577 3.7539 4.9651 5.3879 6.5662 6.6240 9.0423 9.0728 11.3031 11.4370 12.9625 13.1257 13.7469 13.7572 k = 0.3793 0.2190 0.5983 ( 9536 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6020 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0464 -7.0452 -7.0401 -1.4007 -1.2831 -0.9941 -0.9569 -0.7598 -0.5162 -0.3477 -0.3221 -0.2849 -0.2676 0.6028 0.6873 3.4502 3.7429 4.9690 5.3887 6.5306 6.5894 9.0290 9.0616 11.2039 11.3382 13.0458 13.2174 13.8509 13.8611 k = 0.3750 0.2165 0.6124 ( 9547 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0465 -7.0450 -7.0400 -1.3996 -1.2839 -0.9940 -0.9572 -0.7562 -0.5169 -0.3473 -0.3206 -0.2857 -0.2673 0.6095 0.6921 3.4446 3.7312 4.9835 5.3978 6.4983 6.5583 9.0173 9.0518 11.1044 11.2392 13.1146 13.2880 13.9264 13.9476 k = 0.6250-0.0722 0.4082 ( 9547 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6030 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0465 -7.0450 -7.0400 -1.3996 -1.2839 -0.9940 -0.9572 -0.7562 -0.5169 -0.3473 -0.3206 -0.2857 -0.2673 0.6095 0.6921 3.4446 3.7312 4.9835 5.3978 6.4983 6.5583 9.0173 9.0518 11.1044 11.2392 13.1146 13.2880 13.9264 13.9476 k = 0.6176-0.0849 0.4082 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6029 -9.6019 -9.6010 -9.5986 -7.0802 -7.0782 -7.0535 -7.0467 -7.0446 -7.0399 -1.3975 -1.2856 -0.9939 -0.9580 -0.7497 -0.5185 -0.3466 -0.3184 -0.2870 -0.2669 0.6174 0.6966 3.4381 3.7116 5.0203 5.4231 6.4476 6.5100 8.9985 9.0362 10.9355 11.0709 13.2193 13.3893 14.0401 14.0669 k = 0.6103-0.0976 0.4082 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6018 -9.6010 -9.5986 -7.0803 -7.0783 -7.0534 -7.0469 -7.0442 -7.0398 -1.3952 -1.2876 -0.9937 -0.9592 -0.7426 -0.5206 -0.3460 -0.3163 -0.2882 -0.2666 0.6234 0.6992 3.4332 3.6921 5.0641 5.4540 6.4001 6.4650 8.9792 9.0202 10.7683 10.9041 13.3244 13.4904 14.1571 14.1880 k = 0.6029-0.1104 0.4082 ( 9530 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6028 -9.6018 -9.6011 -9.5987 -7.0803 -7.0784 -7.0533 -7.0471 -7.0438 -7.0397 -1.3928 -1.2899 -0.9935 -0.9606 -0.7350 -0.5231 -0.3452 -0.3146 -0.2893 -0.2662 0.6279 0.7000 3.4297 3.6727 5.1141 5.4900 6.3560 6.4235 8.9592 9.0034 10.6044 10.7401 13.4295 13.5908 14.2767 14.3105 k = 0.5956-0.1231 0.4082 ( 9526 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6027 -9.6017 -9.6011 -9.5987 -7.0803 -7.0784 -7.0532 -7.0474 -7.0434 -7.0396 -1.3902 -1.2924 -0.9932 -0.9622 -0.7270 -0.5260 -0.3445 -0.3132 -0.2900 -0.2660 0.6311 0.6993 3.4272 3.6536 5.1694 5.5304 6.3155 6.3858 8.9385 8.9855 10.4451 10.5805 13.5341 13.6899 14.3983 14.4340 k = 0.5882-0.1358 0.4082 ( 9534 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6026 -9.6017 -9.6011 -9.5988 -7.0804 -7.0785 -7.0531 -7.0477 -7.0430 -7.0396 -1.3874 -1.2953 -0.9930 -0.9639 -0.7187 -0.5294 -0.3437 -0.3125 -0.2903 -0.2658 0.6332 0.6974 3.4257 3.6347 5.2290 5.5742 6.2789 6.3519 8.9166 8.9663 10.2919 10.4267 13.6376 13.7872 14.5212 14.5580 k = 0.5809-0.1486 0.4082 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6026 -9.6017 -9.6010 -9.5989 -7.0804 -7.0787 -7.0530 -7.0479 -7.0426 -7.0395 -1.3845 -1.2983 -0.9927 -0.9658 -0.7099 -0.5333 -0.3429 -0.3124 -0.2900 -0.2658 0.6345 0.6944 3.4251 3.6163 5.2917 5.6202 6.2468 6.3222 8.8933 8.9450 10.1466 10.2798 13.7394 13.8818 14.6448 14.6818 k = 0.5735-0.1613 0.4082 ( 9542 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6025 -9.6017 -9.6010 -9.5989 -7.0804 -7.0788 -7.0529 -7.0482 -7.0423 -7.0394 -1.3814 -1.3017 -0.9923 -0.9677 -0.7009 -0.5377 -0.3420 -0.3129 -0.2892 -0.2658 0.6352 0.6906 3.4251 3.5984 5.3563 5.6668 6.2196 6.2969 8.8683 8.9213 10.0108 10.1414 13.8387 13.9731 14.7683 14.8048 k = 0.5662-0.1741 0.4082 ( 9538 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6024 -9.6017 -9.6009 -9.5990 -7.0804 -7.0789 -7.0528 -7.0485 -7.0419 -7.0394 -1.3782 -1.3052 -0.9919 -0.9697 -0.6917 -0.5425 -0.3411 -0.3139 -0.2879 -0.2659 0.6355 0.6862 3.4259 3.5811 5.4211 5.7120 6.1984 6.2763 8.8412 8.8943 9.8864 10.0127 13.9348 14.0602 14.8908 14.9261 k = 0.5588-0.1868 0.4082 ( 9530 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6024 -9.6017 -9.6008 -9.5991 -7.0804 -7.0790 -7.0526 -7.0488 -7.0416 -7.0394 -1.3747 -1.3089 -0.9914 -0.9716 -0.6823 -0.5479 -0.3401 -0.3153 -0.2863 -0.2661 0.6356 0.6814 3.4273 3.5646 5.4848 5.7534 6.1841 6.2606 8.8120 8.8637 9.7752 9.8953 14.0266 14.1420 15.0110 15.0445 k = 0.5515-0.1995 0.4082 ( 9522 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6023 -9.6017 -9.6007 -9.5992 -7.0804 -7.0791 -7.0525 -7.0491 -7.0413 -7.0393 -1.3712 -1.3129 -0.9908 -0.9735 -0.6727 -0.5537 -0.3390 -0.3170 -0.2846 -0.2665 0.6357 0.6763 3.4294 3.5489 5.5457 5.7884 6.1781 6.2501 8.7808 8.8291 9.6789 9.7902 14.1131 14.2174 15.1277 15.1587 k = 0.5441-0.2123 0.4082 ( 9532 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6023 -9.6018 -9.6006 -9.5993 -7.0804 -7.0793 -7.0523 -7.0494 -7.0410 -7.0393 -1.3674 -1.3169 -0.9902 -0.9754 -0.6631 -0.5600 -0.3379 -0.3188 -0.2827 -0.2669 0.6359 0.6711 3.4322 3.5341 5.6021 5.8146 6.1809 6.2447 8.7481 8.7912 9.5987 9.6985 14.1932 14.2853 15.2388 15.2669 k = 0.5368-0.2250 0.4082 ( 9524 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6022 -9.6018 -9.6005 -9.5994 -7.0803 -7.0794 -7.0521 -7.0497 -7.0408 -7.0394 -1.3636 -1.3211 -0.9895 -0.9772 -0.6534 -0.5667 -0.3367 -0.3206 -0.2808 -0.2675 0.6363 0.6660 3.4357 3.5203 5.6528 5.8311 6.1917 6.2442 8.7150 8.7514 9.5348 9.6207 14.2655 14.3444 15.3422 15.3668 k = 0.5294-0.2377 0.4082 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6022 -9.6018 -9.6004 -9.5995 -7.0803 -7.0795 -7.0519 -7.0500 -7.0405 -7.0394 -1.3596 -1.3253 -0.9887 -0.9789 -0.6438 -0.5739 -0.3355 -0.3225 -0.2790 -0.2682 0.6371 0.6611 3.4401 3.5074 5.6968 5.8384 6.2078 6.2474 8.6835 8.7122 9.4868 9.5568 14.3288 14.3934 15.4350 15.4556 k = 0.5221-0.2505 0.4082 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6021 -9.6019 -9.6003 -9.5996 -7.0802 -7.0796 -7.0517 -7.0502 -7.0403 -7.0394 -1.3555 -1.3297 -0.9879 -0.9805 -0.6342 -0.5815 -0.3341 -0.3244 -0.2772 -0.2691 0.6384 0.6565 3.4452 3.4955 5.7337 5.8383 6.2258 6.2529 8.6557 8.6766 9.4533 9.5064 14.3817 14.4311 15.5139 15.5298 k = 0.5147-0.2632 0.4082 ( 9536 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6021 -9.6019 -9.6002 -9.5998 -7.0801 -7.0798 -7.0515 -7.0505 -7.0401 -7.0395 -1.3513 -1.3340 -0.9869 -0.9820 -0.6248 -0.5896 -0.3327 -0.3262 -0.2756 -0.2701 0.6401 0.6522 3.4512 3.4847 5.7639 5.8325 6.2421 6.2584 8.6342 8.6477 9.4332 9.4687 14.4230 14.4564 15.5749 15.5859 k = 0.5074-0.2759 0.4082 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6020 -9.6020 -9.6001 -9.5999 -7.0801 -7.0799 -7.0513 -7.0508 -7.0399 -7.0396 -1.3471 -1.3384 -0.9858 -0.9834 -0.6156 -0.5979 -0.3312 -0.3279 -0.2740 -0.2713 0.6423 0.6484 3.4581 3.4749 5.7882 5.8220 6.2542 6.2617 8.6214 8.6280 9.4251 9.4429 14.4517 14.4685 15.6146 15.6201 k = 0.5000-0.2887 0.4082 ( 9528 PWs) bands (ev): -38.8353 -38.8353 -38.6996 -38.6996 -9.6020 -9.6020 -9.6000 -9.6000 -7.0800 -7.0800 -7.0510 -7.0510 -7.0398 -7.0398 -1.3427 -1.3427 -0.9846 -0.9846 -0.6066 -0.6066 -0.3296 -0.3296 -0.2726 -0.2726 0.6451 0.6451 3.4660 3.4660 5.8073 5.8073 6.2607 6.2607 8.6191 8.6191 9.4285 9.4285 14.4669 14.4669 15.6300 15.6300 Writing output data file Li2CdPb.save init_run : 1.44s CPU 0.88s WALL ( 1 calls) electrons : 304.63s CPU 201.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 304.62s CPU 201.49s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.31s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.59s CPU 0.59s WALL ( 310 calls) cegterg : 256.24s CPU 173.00s WALL ( 360 calls) Called by sum_band: Called by *egterg: h_psi : 214.45s CPU 128.57s WALL ( 6342 calls) s_psi : 7.48s CPU 4.91s WALL ( 6342 calls) g_psi : 0.55s CPU 0.37s WALL ( 5672 calls) cdiaghg : 45.01s CPU 37.96s WALL ( 5982 calls) cegterg:over : 10.39s CPU 8.04s WALL ( 5672 calls) cegterg:upda : 10.60s CPU 8.49s WALL ( 5672 calls) cegterg:last : 3.92s CPU 3.43s WALL ( 1016 calls) cdiaghg:chol : 2.58s CPU 2.25s WALL ( 5982 calls) cdiaghg:inve : 1.30s CPU 1.17s WALL ( 5982 calls) cdiaghg:para : 2.65s CPU 2.11s WALL ( 11964 calls) Called by h_psi: h_psi:vloc : 198.31s CPU 117.69s WALL ( 6342 calls) h_psi:vnl : 15.68s CPU 10.53s WALL ( 6342 calls) add_vuspsi : 7.92s CPU 5.31s WALL ( 6342 calls) General routines calbec : 7.73s CPU 5.20s WALL ( 6342 calls) fft : 0.06s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 185.21s CPU 108.52s WALL ( 553940 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.25s CPU 1.55s WALL ( 620 calls) Parallel routines fft_scatter : 68.39s CPU 44.96s WALL ( 553963 calls) PWSCF : 5m26.80s CPU 3m57.22s WALL This run was terminated on: 15:46:13 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=