Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:33:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2InIr.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 58 16 1796 1796 265 Max 59 59 17 1802 1802 269 Sum 2107 2107 595 64767 64767 9577 bravais-lattice index = 14 lattice parameter (alat) = 8.6602 a.u. unit-cell volume = 459.2642 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.660159 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Li 3.00 6.94100 Li( 1.00) Ir 17.00 192.21700 Ir( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030581 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030581 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030581 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030581 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030581 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030581 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030581 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030581 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030581 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030581 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030581 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030581 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030581 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030581 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030581 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030581 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030581 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030581 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030581 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030581 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030581 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030581 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030581 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030581 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030581 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030581 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030581 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030581 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030581 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030581 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030581 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030581 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030581 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030581 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030581 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030581 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030581 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030581 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030581 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030581 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030581 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030581 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030581 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030581 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030581 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030581 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030581 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030581 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030581 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030581 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030581 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030581 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030581 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030581 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030581 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030581 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030581 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030581 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030581 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030581 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030581 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030581 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030581 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030581 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030581 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030581 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030581 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030581 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030581 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030581 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030581 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030581 k( 76) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030581 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030581 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030581 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030581 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030581 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030581 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030581 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030581 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030581 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030581 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030581 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030581 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030581 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030581 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030581 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030581 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030581 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030581 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030581 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030581 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030581 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030581 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030581 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030581 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030581 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030581 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030581 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030581 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030581 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030581 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030581 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030581 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030581 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030581 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030581 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030581 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030581 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030581 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030581 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030581 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030581 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030581 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030581 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030581 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030581 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030581 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030581 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030581 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030581 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030581 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030581 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030581 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030581 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030581 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030581 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030581 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030581 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030581 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030581 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030581 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030581 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030581 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030581 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030581 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030581 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030581 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030581 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 150) = ( 0.0119048 0.0068732 0.0048601), wk = 0.0030581 k( 151) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0030581 k( 152) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0030581 k( 153) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0030581 k( 154) = ( 0.0595238 0.0343661 0.0243005), wk = 0.0030581 k( 155) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0030581 k( 156) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0030581 k( 157) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0030581 k( 158) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0030581 k( 159) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0030581 k( 160) = ( 0.1309524 0.0756054 0.0534611), wk = 0.0030581 k( 161) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0030581 k( 162) = ( 0.1547619 0.0893518 0.0631813), wk = 0.0030581 k( 163) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0030581 k( 164) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0030581 k( 165) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0030581 k( 166) = ( 0.2023810 0.1168447 0.0826217), wk = 0.0030581 k( 167) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0030581 k( 168) = ( 0.2261905 0.1305911 0.0923419), wk = 0.0030581 k( 169) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0030581 k( 170) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0030581 k( 171) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0030581 k( 172) = ( 0.2738095 0.1580840 0.1117823), wk = 0.0030581 k( 173) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0030581 k( 174) = ( 0.2976190 0.1718304 0.1215025), wk = 0.0030581 k( 175) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0030581 k( 176) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0030581 k( 177) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0030581 k( 178) = ( 0.3452381 0.1993233 0.1409429), wk = 0.0030581 k( 179) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0030581 k( 180) = ( 0.3690476 0.2130697 0.1506631), wk = 0.0030581 k( 181) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0030581 k( 182) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0030581 k( 183) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0030581 k( 184) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0030581 k( 185) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0030581 k( 186) = ( 0.4404762 0.2543090 0.1798237), wk = 0.0030581 k( 187) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0030581 k( 188) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0030581 k( 189) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0030581 k( 190) = ( 0.4880952 0.2818019 0.1992640), wk = 0.0030581 k( 191) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 193) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030581 k( 194) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030581 k( 195) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030581 k( 196) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030581 k( 197) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030581 k( 198) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030581 k( 199) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030581 k( 200) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030581 k( 201) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030581 k( 202) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030581 k( 203) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030581 k( 204) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030581 k( 205) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030581 k( 206) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030581 k( 207) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030581 k( 208) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030581 k( 209) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030581 k( 210) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030581 k( 211) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030581 k( 212) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030581 k( 213) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030581 k( 214) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030581 k( 215) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030581 k( 216) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0030581 k( 217) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030581 k( 218) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030581 k( 219) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030581 k( 220) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030581 k( 221) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030581 k( 222) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 224) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030581 k( 225) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030581 k( 226) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030581 k( 227) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030581 k( 228) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030581 k( 229) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030581 k( 230) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030581 k( 231) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030581 k( 232) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030581 k( 233) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030581 k( 234) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030581 k( 235) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030581 k( 236) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030581 k( 237) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030581 k( 238) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030581 k( 239) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030581 k( 240) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030581 k( 241) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 242) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 243) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030581 k( 244) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030581 k( 245) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030581 k( 246) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030581 k( 247) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030581 k( 248) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030581 k( 249) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030581 k( 250) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030581 k( 251) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030581 k( 252) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030581 k( 253) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030581 k( 254) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030581 k( 255) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030581 k( 256) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030581 k( 257) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030581 k( 258) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030581 k( 259) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030581 k( 260) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030581 k( 261) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030581 k( 262) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030581 k( 263) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030581 k( 264) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030581 k( 265) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030581 k( 266) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030581 k( 267) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030581 k( 268) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030581 k( 269) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030581 k( 270) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030581 k( 271) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030581 k( 272) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030581 k( 273) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030581 k( 274) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030581 k( 275) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030581 k( 276) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030581 k( 277) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 279) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030581 k( 280) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030581 k( 281) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030581 k( 282) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030581 k( 283) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030581 k( 284) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030581 k( 285) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030581 k( 286) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030581 k( 287) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030581 k( 288) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030581 k( 289) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030581 k( 290) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030581 k( 291) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030581 k( 292) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030581 k( 293) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030581 k( 294) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030581 k( 295) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030581 k( 296) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030581 k( 297) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030581 k( 298) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030581 k( 299) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030581 k( 300) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030581 k( 301) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030581 k( 302) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030581 k( 303) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030581 k( 304) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030581 k( 305) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030581 k( 306) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030581 k( 307) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030581 k( 308) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 309) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 310) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030581 k( 311) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030581 k( 312) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030581 k( 313) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030581 k( 314) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030581 k( 315) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030581 k( 316) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030581 k( 317) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030581 k( 318) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030581 k( 319) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030581 k( 320) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030581 k( 321) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030581 k( 322) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030581 k( 323) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030581 k( 324) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030581 k( 325) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030581 k( 326) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030581 k( 327) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030581 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030581 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0030581 k( 5) = ( 0.0408163 0.0000000 0.0408163), wk = 0.0030581 k( 6) = ( 0.0510204 -0.0000000 0.0510204), wk = 0.0030581 k( 7) = ( 0.0612245 0.0000000 0.0612245), wk = 0.0030581 k( 8) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0030581 k( 9) = ( 0.0816327 -0.0000000 0.0816327), wk = 0.0030581 k( 10) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0030581 k( 11) = ( 0.1020408 -0.0000000 0.1020408), wk = 0.0030581 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0030581 k( 13) = ( 0.1224490 0.0000000 0.1224490), wk = 0.0030581 k( 14) = ( 0.1326531 -0.0000000 0.1326531), wk = 0.0030581 k( 15) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0030581 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030581 k( 17) = ( 0.1632653 0.0000000 0.1632653), wk = 0.0030581 k( 18) = ( 0.1734694 0.0000000 0.1734694), wk = 0.0030581 k( 19) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0030581 k( 20) = ( 0.1938776 0.0000000 0.1938775), wk = 0.0030581 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030581 k( 22) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0030581 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030581 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030581 k( 25) = ( 0.2448980 0.0000000 0.2448980), wk = 0.0030581 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030581 k( 27) = ( 0.2653061 -0.0000000 0.2653061), wk = 0.0030581 k( 28) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0030581 k( 29) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0030581 k( 30) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0030581 k( 31) = ( 0.3061224 0.0000000 0.3061224), wk = 0.0030581 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030581 k( 33) = ( 0.3265306 -0.0000000 0.3265306), wk = 0.0030581 k( 34) = ( 0.3367347 0.0000000 0.3367347), wk = 0.0030581 k( 35) = ( 0.3469388 0.0000000 0.3469388), wk = 0.0030581 k( 36) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0030581 k( 37) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0030581 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030581 k( 39) = ( 0.3877551 0.0000000 0.3877551), wk = 0.0030581 k( 40) = ( 0.3979592 0.0000000 0.3979592), wk = 0.0030581 k( 41) = ( 0.4081633 0.0000000 0.4081633), wk = 0.0030581 k( 42) = ( 0.4183674 0.0000000 0.4183674), wk = 0.0030581 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030581 k( 44) = ( 0.4387755 0.0000000 0.4387755), wk = 0.0030581 k( 45) = ( 0.4489796 0.0000000 0.4489796), wk = 0.0030581 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0030581 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030581 k( 48) = ( 0.4795918 0.0000000 0.4795918), wk = 0.0030581 k( 49) = ( 0.4897959 0.0000000 0.4897959), wk = 0.0030581 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030581 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030581 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030581 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030581 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030581 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030581 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030581 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030581 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030581 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030581 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030581 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030581 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030581 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030581 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030581 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030581 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030581 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030581 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030581 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030581 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030581 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030581 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030581 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030581 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030581 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030581 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030581 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030581 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030581 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030581 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030581 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030581 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030581 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030581 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030581 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030581 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030581 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030581 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030581 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030581 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030581 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030581 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030581 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030581 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030581 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030581 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030581 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030581 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030581 k( 105) = ( 0.3100962 0.3100961 0.6201923), wk = 0.0030581 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030581 k( 107) = ( 0.2956731 0.2956731 0.5913461), wk = 0.0030581 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030581 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030581 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030581 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030581 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030581 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030581 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030581 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030581 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030581 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030581 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030581 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030581 k( 120) = ( 0.2019231 0.2019231 0.4038461), wk = 0.0030581 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030581 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030581 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030581 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030581 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030581 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030581 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030581 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030581 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030581 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030581 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030581 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030581 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030581 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030581 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030581 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030581 k( 137) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030581 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030581 k( 139) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030581 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030581 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030581 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030581 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030581 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030581 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030581 k( 146) = ( 0.0144231 0.0144231 0.0288461), wk = 0.0030581 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 150) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0030581 k( 151) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0030581 k( 152) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0030581 k( 153) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0030581 k( 154) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0030581 k( 155) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0030581 k( 156) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0030581 k( 157) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0030581 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0030581 k( 159) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0030581 k( 160) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0030581 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0030581 k( 162) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0030581 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030581 k( 164) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0030581 k( 165) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0030581 k( 166) = ( 0.2023810 0.2023809 0.2023810), wk = 0.0030581 k( 167) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0030581 k( 168) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0030581 k( 169) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0030581 k( 170) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 171) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0030581 k( 172) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0030581 k( 173) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0030581 k( 174) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0030581 k( 175) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0030581 k( 176) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0030581 k( 177) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030581 k( 178) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0030581 k( 179) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0030581 k( 180) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0030581 k( 181) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0030581 k( 182) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0030581 k( 183) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0030581 k( 184) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0030581 k( 185) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0030581 k( 186) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0030581 k( 187) = ( 0.4523810 0.4523810 0.4523809), wk = 0.0030581 k( 188) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0030581 k( 189) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0030581 k( 190) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0030581 k( 191) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 193) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030581 k( 194) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030581 k( 195) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030581 k( 196) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030581 k( 197) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030581 k( 198) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030581 k( 199) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030581 k( 200) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030581 k( 201) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030581 k( 202) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030581 k( 203) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030581 k( 204) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030581 k( 205) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030581 k( 206) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030581 k( 207) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030581 k( 208) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030581 k( 209) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030581 k( 210) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030581 k( 211) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030581 k( 212) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030581 k( 213) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030581 k( 214) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030581 k( 215) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030581 k( 216) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030581 k( 217) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030581 k( 218) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030581 k( 219) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030581 k( 220) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030581 k( 221) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030581 k( 222) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 224) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030581 k( 225) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030581 k( 226) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030581 k( 227) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030581 k( 228) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030581 k( 229) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030581 k( 230) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030581 k( 231) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030581 k( 232) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030581 k( 233) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030581 k( 234) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030581 k( 235) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030581 k( 236) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030581 k( 237) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030581 k( 238) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030581 k( 239) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030581 k( 240) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030581 k( 241) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 243) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030581 k( 244) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030581 k( 245) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030581 k( 246) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030581 k( 247) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030581 k( 248) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030581 k( 249) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030581 k( 250) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030581 k( 251) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030581 k( 252) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030581 k( 253) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030581 k( 254) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030581 k( 255) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030581 k( 256) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030581 k( 257) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030581 k( 258) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030581 k( 259) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030581 k( 260) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030581 k( 261) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030581 k( 262) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030581 k( 263) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030581 k( 264) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030581 k( 265) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030581 k( 266) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030581 k( 267) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030581 k( 268) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030581 k( 269) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030581 k( 270) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030581 k( 271) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030581 k( 272) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030581 k( 273) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030581 k( 274) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030581 k( 275) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030581 k( 276) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030581 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 279) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030581 k( 280) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030581 k( 281) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030581 k( 282) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030581 k( 283) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030581 k( 284) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030581 k( 285) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030581 k( 286) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030581 k( 287) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030581 k( 288) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030581 k( 289) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030581 k( 290) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030581 k( 291) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030581 k( 292) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030581 k( 293) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030581 k( 294) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030581 k( 295) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030581 k( 296) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030581 k( 297) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030581 k( 298) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030581 k( 299) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030581 k( 300) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030581 k( 301) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030581 k( 302) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030581 k( 303) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030581 k( 304) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030581 k( 305) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030581 k( 306) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030581 k( 307) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030581 k( 308) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 309) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 310) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030581 k( 311) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030581 k( 312) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030581 k( 313) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030581 k( 314) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030581 k( 315) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030581 k( 316) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030581 k( 317) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030581 k( 318) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030581 k( 319) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030581 k( 320) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030581 k( 321) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030581 k( 322) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030581 k( 323) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030581 k( 324) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030581 k( 325) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030581 k( 326) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030581 k( 327) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 Dense grid: 64767 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 456, 44) NL pseudopotentials 0.33 Mb ( 228, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1802) G-vector shells 0.00 Mb ( 469) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.22 Mb ( 456, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./Li2InIr.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.4 secs Computing kpt #: 12 total cpu time spent up to now is 8.9 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.5 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.3 secs Computing kpt #: 19 total cpu time spent up to now is 12.9 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.2 secs Computing kpt #: 22 total cpu time spent up to now is 14.7 secs Computing kpt #: 23 total cpu time spent up to now is 15.4 secs Computing kpt #: 24 total cpu time spent up to now is 16.0 secs Computing kpt #: 25 total cpu time spent up to now is 16.6 secs Computing kpt #: 26 total cpu time spent up to now is 17.5 secs Computing kpt #: 27 total cpu time spent up to now is 17.9 secs Computing kpt #: 28 total cpu time spent up to now is 18.4 secs Computing kpt #: 29 total cpu time spent up to now is 18.8 secs Computing kpt #: 30 total cpu time spent up to now is 19.3 secs Computing kpt #: 31 total cpu time spent up to now is 19.7 secs Computing kpt #: 32 total cpu time spent up to now is 20.2 secs Computing kpt #: 33 total cpu time spent up to now is 20.6 secs Computing kpt #: 34 total cpu time spent up to now is 21.0 secs Computing kpt #: 35 total cpu time spent up to now is 21.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.9 secs Computing kpt #: 37 total cpu time spent up to now is 22.3 secs Computing kpt #: 38 total cpu time spent up to now is 22.7 secs Computing kpt #: 39 total cpu time spent up to now is 23.1 secs Computing kpt #: 40 total cpu time spent up to now is 23.6 secs Computing kpt #: 41 total cpu time spent up to now is 24.0 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 24.8 secs Computing kpt #: 44 total cpu time spent up to now is 25.2 secs Computing kpt #: 45 total cpu time spent up to now is 25.6 secs Computing kpt #: 46 total cpu time spent up to now is 26.0 secs Computing kpt #: 47 total cpu time spent up to now is 26.4 secs Computing kpt #: 48 total cpu time spent up to now is 26.8 secs Computing kpt #: 49 total cpu time spent up to now is 27.2 secs Computing kpt #: 50 total cpu time spent up to now is 27.6 secs Computing kpt #: 51 total cpu time spent up to now is 28.0 secs Computing kpt #: 52 total cpu time spent up to now is 28.4 secs Computing kpt #: 53 total cpu time spent up to now is 28.9 secs Computing kpt #: 54 total cpu time spent up to now is 29.3 secs Computing kpt #: 55 total cpu time spent up to now is 29.7 secs Computing kpt #: 56 total cpu time spent up to now is 30.1 secs Computing kpt #: 57 total cpu time spent up to now is 30.5 secs Computing kpt #: 58 total cpu time spent up to now is 30.9 secs Computing kpt #: 59 total cpu time spent up to now is 31.3 secs Computing kpt #: 60 total cpu time spent up to now is 31.8 secs Computing kpt #: 61 total cpu time spent up to now is 32.2 secs Computing kpt #: 62 total cpu time spent up to now is 32.6 secs Computing kpt #: 63 total cpu time spent up to now is 33.0 secs Computing kpt #: 64 total cpu time spent up to now is 33.5 secs Computing kpt #: 65 total cpu time spent up to now is 34.0 secs Computing kpt #: 66 total cpu time spent up to now is 34.4 secs Computing kpt #: 67 total cpu time spent up to now is 35.0 secs Computing kpt #: 68 total cpu time spent up to now is 35.6 secs Computing kpt #: 69 total cpu time spent up to now is 36.1 secs Computing kpt #: 70 total cpu time spent up to now is 36.6 secs Computing kpt #: 71 total cpu time spent up to now is 37.0 secs Computing kpt #: 72 total cpu time spent up to now is 37.5 secs Computing kpt #: 73 total cpu time spent up to now is 37.9 secs Computing kpt #: 74 total cpu time spent up to now is 38.4 secs Computing kpt #: 75 total cpu time spent up to now is 38.8 secs Computing kpt #: 76 total cpu time spent up to now is 39.2 secs Computing kpt #: 77 total cpu time spent up to now is 39.7 secs Computing kpt #: 78 total cpu time spent up to now is 40.1 secs Computing kpt #: 79 total cpu time spent up to now is 40.6 secs Computing kpt #: 80 total cpu time spent up to now is 41.0 secs Computing kpt #: 81 total cpu time spent up to now is 41.5 secs Computing kpt #: 82 total cpu time spent up to now is 42.0 secs Computing kpt #: 83 total cpu time spent up to now is 42.4 secs Computing kpt #: 84 total cpu time spent up to now is 42.9 secs Computing kpt #: 85 total cpu time spent up to now is 43.4 secs Computing kpt #: 86 total cpu time spent up to now is 43.8 secs Computing kpt #: 87 total cpu time spent up to now is 44.3 secs Computing kpt #: 88 total cpu time spent up to now is 44.8 secs Computing kpt #: 89 total cpu time spent up to now is 45.3 secs Computing kpt #: 90 total cpu time spent up to now is 45.7 secs Computing kpt #: 91 total cpu time spent up to now is 46.2 secs Computing kpt #: 92 total cpu time spent up to now is 46.7 secs Computing kpt #: 93 total cpu time spent up to now is 47.1 secs Computing kpt #: 94 total cpu time spent up to now is 47.6 secs Computing kpt #: 95 total cpu time spent up to now is 48.1 secs Computing kpt #: 96 total cpu time spent up to now is 48.5 secs Computing kpt #: 97 total cpu time spent up to now is 49.0 secs Computing kpt #: 98 total cpu time spent up to now is 49.5 secs Computing kpt #: 99 total cpu time spent up to now is 49.9 secs Computing kpt #: 100 total cpu time spent up to now is 50.4 secs Computing kpt #: 101 total cpu time spent up to now is 50.8 secs Computing kpt #: 102 total cpu time spent up to now is 51.3 secs Computing kpt #: 103 total cpu time spent up to now is 51.8 secs Computing kpt #: 104 total cpu time spent up to now is 52.2 secs Computing kpt #: 105 total cpu time spent up to now is 52.7 secs Computing kpt #: 106 total cpu time spent up to now is 53.1 secs Computing kpt #: 107 total cpu time spent up to now is 53.6 secs Computing kpt #: 108 total cpu time spent up to now is 54.0 secs Computing kpt #: 109 total cpu time spent up to now is 54.5 secs Computing kpt #: 110 total cpu time spent up to now is 55.0 secs Computing kpt #: 111 total cpu time spent up to now is 55.5 secs Computing kpt #: 112 total cpu time spent up to now is 56.1 secs Computing kpt #: 113 total cpu time spent up to now is 56.6 secs Computing kpt #: 114 total cpu time spent up to now is 57.2 secs Computing kpt #: 115 total cpu time spent up to now is 57.7 secs Computing kpt #: 116 total cpu time spent up to now is 58.2 secs Computing kpt #: 117 total cpu time spent up to now is 58.7 secs Computing kpt #: 118 total cpu time spent up to now is 59.2 secs Computing kpt #: 119 total cpu time spent up to now is 59.6 secs Computing kpt #: 120 total cpu time spent up to now is 60.1 secs Computing kpt #: 121 total cpu time spent up to now is 60.6 secs Computing kpt #: 122 total cpu time spent up to now is 61.1 secs Computing kpt #: 123 total cpu time spent up to now is 61.6 secs Computing kpt #: 124 total cpu time spent up to now is 62.1 secs Computing kpt #: 125 total cpu time spent up to now is 62.7 secs Computing kpt #: 126 total cpu time spent up to now is 63.2 secs Computing kpt #: 127 total cpu time spent up to now is 63.7 secs Computing kpt #: 128 total cpu time spent up to now is 64.3 secs Computing kpt #: 129 total cpu time spent up to now is 64.8 secs Computing kpt #: 130 total cpu time spent up to now is 65.3 secs Computing kpt #: 131 total cpu time spent up to now is 65.9 secs Computing kpt #: 132 total cpu time spent up to now is 66.4 secs Computing kpt #: 133 total cpu time spent up to now is 66.9 secs Computing kpt #: 134 total cpu time spent up to now is 67.5 secs Computing kpt #: 135 total cpu time spent up to now is 68.0 secs Computing kpt #: 136 total cpu time spent up to now is 68.5 secs Computing kpt #: 137 total cpu time spent up to now is 69.0 secs Computing kpt #: 138 total cpu time spent up to now is 69.5 secs Computing kpt #: 139 total cpu time spent up to now is 70.0 secs Computing kpt #: 140 total cpu time spent up to now is 70.5 secs Computing kpt #: 141 total cpu time spent up to now is 71.1 secs Computing kpt #: 142 total cpu time spent up to now is 71.6 secs Computing kpt #: 143 total cpu time spent up to now is 72.1 secs Computing kpt #: 144 total cpu time spent up to now is 72.7 secs Computing kpt #: 145 total cpu time spent up to now is 73.3 secs Computing kpt #: 146 total cpu time spent up to now is 73.9 secs Computing kpt #: 147 total cpu time spent up to now is 74.5 secs Computing kpt #: 148 total cpu time spent up to now is 75.1 secs Computing kpt #: 149 total cpu time spent up to now is 75.8 secs Computing kpt #: 150 total cpu time spent up to now is 76.4 secs Computing kpt #: 151 total cpu time spent up to now is 77.0 secs Computing kpt #: 152 total cpu time spent up to now is 77.6 secs Computing kpt #: 153 total cpu time spent up to now is 78.2 secs Computing kpt #: 154 total cpu time spent up to now is 78.7 secs Computing kpt #: 155 total cpu time spent up to now is 79.2 secs Computing kpt #: 156 total cpu time spent up to now is 79.8 secs Computing kpt #: 157 total cpu time spent up to now is 80.3 secs Computing kpt #: 158 total cpu time spent up to now is 80.8 secs Computing kpt #: 159 total cpu time spent up to now is 81.3 secs Computing kpt #: 160 total cpu time spent up to now is 81.8 secs Computing kpt #: 161 total cpu time spent up to now is 82.4 secs Computing kpt #: 162 total cpu time spent up to now is 82.9 secs Computing kpt #: 163 total cpu time spent up to now is 83.4 secs Computing kpt #: 164 total cpu time spent up to now is 83.9 secs Computing kpt #: 165 total cpu time spent up to now is 84.4 secs Computing kpt #: 166 total cpu time spent up to now is 84.9 secs Computing kpt #: 167 total cpu time spent up to now is 85.5 secs Computing kpt #: 168 total cpu time spent up to now is 86.0 secs Computing kpt #: 169 total cpu time spent up to now is 86.5 secs Computing kpt #: 170 total cpu time spent up to now is 87.0 secs Computing kpt #: 171 total cpu time spent up to now is 87.5 secs Computing kpt #: 172 total cpu time spent up to now is 88.0 secs Computing kpt #: 173 total cpu time spent up to now is 88.5 secs Computing kpt #: 174 total cpu time spent up to now is 89.1 secs Computing kpt #: 175 total cpu time spent up to now is 89.7 secs Computing kpt #: 176 total cpu time spent up to now is 90.2 secs Computing kpt #: 177 total cpu time spent up to now is 90.7 secs Computing kpt #: 178 total cpu time spent up to now is 91.2 secs Computing kpt #: 179 total cpu time spent up to now is 91.7 secs Computing kpt #: 180 total cpu time spent up to now is 92.3 secs Computing kpt #: 181 total cpu time spent up to now is 92.8 secs Computing kpt #: 182 total cpu time spent up to now is 93.3 secs Computing kpt #: 183 total cpu time spent up to now is 93.9 secs Computing kpt #: 184 total cpu time spent up to now is 94.4 secs Computing kpt #: 185 total cpu time spent up to now is 94.9 secs Computing kpt #: 186 total cpu time spent up to now is 95.4 secs Computing kpt #: 187 total cpu time spent up to now is 95.9 secs Computing kpt #: 188 total cpu time spent up to now is 96.4 secs Computing kpt #: 189 total cpu time spent up to now is 96.9 secs Computing kpt #: 190 total cpu time spent up to now is 97.4 secs Computing kpt #: 191 total cpu time spent up to now is 97.8 secs Computing kpt #: 192 total cpu time spent up to now is 98.3 secs Computing kpt #: 193 total cpu time spent up to now is 98.8 secs Computing kpt #: 194 total cpu time spent up to now is 99.3 secs Computing kpt #: 195 total cpu time spent up to now is 99.8 secs Computing kpt #: 196 total cpu time spent up to now is 100.3 secs Computing kpt #: 197 total cpu time spent up to now is 100.8 secs Computing kpt #: 198 total cpu time spent up to now is 101.3 secs Computing kpt #: 199 total cpu time spent up to now is 101.8 secs Computing kpt #: 200 total cpu time spent up to now is 102.3 secs Computing kpt #: 201 total cpu time spent up to now is 102.8 secs Computing kpt #: 202 total cpu time spent up to now is 103.3 secs Computing kpt #: 203 total cpu time spent up to now is 103.8 secs Computing kpt #: 204 total cpu time spent up to now is 104.2 secs Computing kpt #: 205 total cpu time spent up to now is 104.7 secs Computing kpt #: 206 total cpu time spent up to now is 105.2 secs Computing kpt #: 207 total cpu time spent up to now is 105.7 secs Computing kpt #: 208 total cpu time spent up to now is 106.2 secs Computing kpt #: 209 total cpu time spent up to now is 106.7 secs Computing kpt #: 210 total cpu time spent up to now is 107.2 secs Computing kpt #: 211 total cpu time spent up to now is 107.7 secs Computing kpt #: 212 total cpu time spent up to now is 108.3 secs Computing kpt #: 213 total cpu time spent up to now is 108.9 secs Computing kpt #: 214 total cpu time spent up to now is 109.4 secs Computing kpt #: 215 total cpu time spent up to now is 109.9 secs Computing kpt #: 216 total cpu time spent up to now is 110.3 secs Computing kpt #: 217 total cpu time spent up to now is 110.8 secs Computing kpt #: 218 total cpu time spent up to now is 111.3 secs Computing kpt #: 219 total cpu time spent up to now is 111.7 secs Computing kpt #: 220 total cpu time spent up to now is 112.2 secs Computing kpt #: 221 total cpu time spent up to now is 112.7 secs Computing kpt #: 222 total cpu time spent up to now is 113.2 secs Computing kpt #: 223 total cpu time spent up to now is 113.6 secs Computing kpt #: 224 total cpu time spent up to now is 114.1 secs Computing kpt #: 225 total cpu time spent up to now is 114.5 secs Computing kpt #: 226 total cpu time spent up to now is 115.0 secs Computing kpt #: 227 total cpu time spent up to now is 115.5 secs Computing kpt #: 228 total cpu time spent up to now is 115.9 secs Computing kpt #: 229 total cpu time spent up to now is 116.4 secs Computing kpt #: 230 total cpu time spent up to now is 116.9 secs Computing kpt #: 231 total cpu time spent up to now is 117.4 secs Computing kpt #: 232 total cpu time spent up to now is 117.8 secs Computing kpt #: 233 total cpu time spent up to now is 118.3 secs Computing kpt #: 234 total cpu time spent up to now is 118.8 secs Computing kpt #: 235 total cpu time spent up to now is 119.3 secs Computing kpt #: 236 total cpu time spent up to now is 119.7 secs Computing kpt #: 237 total cpu time spent up to now is 120.2 secs Computing kpt #: 238 total cpu time spent up to now is 120.7 secs Computing kpt #: 239 total cpu time spent up to now is 121.1 secs Computing kpt #: 240 total cpu time spent up to now is 121.5 secs Computing kpt #: 241 total cpu time spent up to now is 122.0 secs Computing kpt #: 242 total cpu time spent up to now is 122.4 secs Computing kpt #: 243 total cpu time spent up to now is 122.9 secs Computing kpt #: 244 total cpu time spent up to now is 123.3 secs Computing kpt #: 245 total cpu time spent up to now is 123.7 secs Computing kpt #: 246 total cpu time spent up to now is 124.2 secs Computing kpt #: 247 total cpu time spent up to now is 124.6 secs Computing kpt #: 248 total cpu time spent up to now is 125.1 secs Computing kpt #: 249 total cpu time spent up to now is 125.5 secs Computing kpt #: 250 total cpu time spent up to now is 126.0 secs Computing kpt #: 251 total cpu time spent up to now is 126.4 secs Computing kpt #: 252 total cpu time spent up to now is 126.9 secs Computing kpt #: 253 total cpu time spent up to now is 127.3 secs Computing kpt #: 254 total cpu time spent up to now is 127.7 secs Computing kpt #: 255 total cpu time spent up to now is 128.2 secs Computing kpt #: 256 total cpu time spent up to now is 128.6 secs Computing kpt #: 257 total cpu time spent up to now is 129.1 secs Computing kpt #: 258 total cpu time spent up to now is 129.5 secs Computing kpt #: 259 total cpu time spent up to now is 130.0 secs Computing kpt #: 260 total cpu time spent up to now is 130.4 secs Computing kpt #: 261 total cpu time spent up to now is 130.9 secs Computing kpt #: 262 total cpu time spent up to now is 131.3 secs Computing kpt #: 263 total cpu time spent up to now is 131.8 secs Computing kpt #: 264 total cpu time spent up to now is 132.3 secs Computing kpt #: 265 total cpu time spent up to now is 132.7 secs Computing kpt #: 266 total cpu time spent up to now is 133.2 secs Computing kpt #: 267 total cpu time spent up to now is 133.7 secs Computing kpt #: 268 total cpu time spent up to now is 134.1 secs Computing kpt #: 269 total cpu time spent up to now is 134.6 secs Computing kpt #: 270 total cpu time spent up to now is 135.1 secs Computing kpt #: 271 total cpu time spent up to now is 135.6 secs Computing kpt #: 272 total cpu time spent up to now is 136.1 secs Computing kpt #: 273 total cpu time spent up to now is 136.6 secs Computing kpt #: 274 total cpu time spent up to now is 137.1 secs Computing kpt #: 275 total cpu time spent up to now is 137.6 secs Computing kpt #: 276 total cpu time spent up to now is 138.1 secs Computing kpt #: 277 total cpu time spent up to now is 138.6 secs Computing kpt #: 278 total cpu time spent up to now is 139.1 secs Computing kpt #: 279 total cpu time spent up to now is 139.6 secs Computing kpt #: 280 total cpu time spent up to now is 140.1 secs Computing kpt #: 281 total cpu time spent up to now is 140.6 secs Computing kpt #: 282 total cpu time spent up to now is 141.1 secs Computing kpt #: 283 total cpu time spent up to now is 141.6 secs Computing kpt #: 284 total cpu time spent up to now is 142.1 secs Computing kpt #: 285 total cpu time spent up to now is 142.6 secs Computing kpt #: 286 total cpu time spent up to now is 143.1 secs Computing kpt #: 287 total cpu time spent up to now is 143.6 secs Computing kpt #: 288 total cpu time spent up to now is 144.1 secs Computing kpt #: 289 total cpu time spent up to now is 144.6 secs Computing kpt #: 290 total cpu time spent up to now is 145.0 secs Computing kpt #: 291 total cpu time spent up to now is 145.5 secs Computing kpt #: 292 total cpu time spent up to now is 146.0 secs Computing kpt #: 293 total cpu time spent up to now is 146.5 secs Computing kpt #: 294 total cpu time spent up to now is 147.0 secs Computing kpt #: 295 total cpu time spent up to now is 147.4 secs Computing kpt #: 296 total cpu time spent up to now is 148.0 secs Computing kpt #: 297 total cpu time spent up to now is 148.6 secs Computing kpt #: 298 total cpu time spent up to now is 149.2 secs Computing kpt #: 299 total cpu time spent up to now is 149.7 secs Computing kpt #: 300 total cpu time spent up to now is 150.3 secs Computing kpt #: 301 total cpu time spent up to now is 150.8 secs Computing kpt #: 302 total cpu time spent up to now is 151.4 secs Computing kpt #: 303 total cpu time spent up to now is 151.8 secs Computing kpt #: 304 total cpu time spent up to now is 152.3 secs Computing kpt #: 305 total cpu time spent up to now is 152.8 secs Computing kpt #: 306 total cpu time spent up to now is 153.2 secs Computing kpt #: 307 total cpu time spent up to now is 153.7 secs Computing kpt #: 308 total cpu time spent up to now is 154.2 secs Computing kpt #: 309 total cpu time spent up to now is 154.6 secs Computing kpt #: 310 total cpu time spent up to now is 155.1 secs Computing kpt #: 311 total cpu time spent up to now is 155.5 secs Computing kpt #: 312 total cpu time spent up to now is 156.0 secs Computing kpt #: 313 total cpu time spent up to now is 156.4 secs Computing kpt #: 314 total cpu time spent up to now is 156.9 secs Computing kpt #: 315 total cpu time spent up to now is 157.3 secs Computing kpt #: 316 total cpu time spent up to now is 157.7 secs Computing kpt #: 317 total cpu time spent up to now is 158.2 secs Computing kpt #: 318 total cpu time spent up to now is 158.6 secs Computing kpt #: 319 total cpu time spent up to now is 159.0 secs Computing kpt #: 320 total cpu time spent up to now is 159.4 secs Computing kpt #: 321 total cpu time spent up to now is 159.9 secs Computing kpt #: 322 total cpu time spent up to now is 160.3 secs Computing kpt #: 323 total cpu time spent up to now is 160.7 secs Computing kpt #: 324 total cpu time spent up to now is 161.1 secs Computing kpt #: 325 total cpu time spent up to now is 161.5 secs Computing kpt #: 326 total cpu time spent up to now is 161.9 secs Computing kpt #: 327 total cpu time spent up to now is 162.3 secs ethr = 2.78E-08, avg # of iterations = 16.8 total cpu time spent up to now is 162.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2894 -5.2894 -5.2894 -5.2894 -4.4521 -4.4521 -4.4298 -4.4298 -4.4298 -4.4298 2.0728 2.0728 7.2744 7.2744 7.2744 7.2744 8.0392 8.0392 8.4838 8.4838 8.4838 8.4838 11.4855 11.4855 12.2398 12.2398 12.2398 12.2398 12.9683 12.9683 15.2551 15.2551 k = 0.0102-0.0059 0.0083 ( 7999 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2894 -5.2894 -5.2894 -5.2894 -4.4521 -4.4521 -4.4298 -4.4298 -4.4298 -4.4298 2.0742 2.0742 7.2741 7.2741 7.2744 7.2744 8.0391 8.0391 8.4812 8.4812 8.4840 8.4840 11.4808 11.4808 12.2172 12.2172 12.2373 12.2373 12.9987 12.9987 15.2462 15.2462 k = 0.0204-0.0118 0.0167 ( 8019 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2894 -5.2894 -5.2893 -5.2893 -4.4520 -4.4520 -4.4298 -4.4298 -4.4297 -4.4297 2.0784 2.0784 7.2732 7.2732 7.2746 7.2746 8.0389 8.0389 8.4735 8.4735 8.4845 8.4845 11.4665 11.4665 12.1588 12.1588 12.2298 12.2298 13.0805 13.0805 15.2215 15.2215 k = 0.0306-0.0177 0.0250 ( 8035 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2893 -5.2893 -5.2892 -5.2892 -4.4519 -4.4519 -4.4297 -4.4297 -4.4296 -4.4296 2.0853 2.0853 7.2717 7.2717 7.2748 7.2748 8.0385 8.0385 8.4606 8.4606 8.4854 8.4854 11.4429 11.4429 12.0816 12.0816 12.2172 12.2172 13.1962 13.1962 15.1851 15.1851 k = 0.0408-0.0236 0.0333 ( 8035 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2893 -5.2893 -5.2890 -5.2890 -4.4517 -4.4517 -4.4296 -4.4296 -4.4294 -4.4294 2.0950 2.0950 7.2696 7.2696 7.2752 7.2752 8.0379 8.0379 8.4428 8.4428 8.4867 8.4867 11.4102 11.4102 11.9980 11.9980 12.1996 12.1996 13.3326 13.3326 15.1416 15.1416 k = 0.0510-0.0295 0.0417 ( 8039 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7847 -35.7847 -34.5934 -34.5934 -34.5933 -34.5933 -5.2892 -5.2892 -5.2888 -5.2888 -4.4514 -4.4514 -4.4294 -4.4294 -4.4292 -4.4292 2.1074 2.1074 7.2670 7.2670 7.2756 7.2756 8.0373 8.0373 8.4201 8.4201 8.4883 8.4883 11.3691 11.3691 11.9142 11.9142 12.1767 12.1767 13.4815 13.4815 15.0943 15.0943 k = 0.0612-0.0353 0.0500 ( 8055 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7847 -35.7847 -34.5934 -34.5934 -34.5933 -34.5933 -5.2890 -5.2890 -5.2885 -5.2885 -4.4511 -4.4511 -4.4293 -4.4293 -4.4290 -4.4290 2.1225 2.1225 7.2636 7.2636 7.2762 7.2762 8.0366 8.0366 8.3929 8.3929 8.4903 8.4903 11.3207 11.3207 11.8332 11.8332 12.1487 12.1487 13.6371 13.6371 15.0456 15.0456 k = 0.0714-0.0412 0.0583 ( 8055 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7848 -35.7848 -34.5934 -34.5934 -34.5933 -34.5933 -5.2889 -5.2889 -5.2882 -5.2882 -4.4508 -4.4508 -4.4291 -4.4291 -4.4287 -4.4287 2.1404 2.1404 7.2597 7.2597 7.2768 7.2768 8.0358 8.0358 8.3615 8.3615 8.4926 8.4926 11.2667 11.2667 11.7554 11.7554 12.1155 12.1155 13.7937 13.7937 14.9977 14.9977 k = 0.0816-0.0471 0.0667 ( 8051 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7848 -35.7848 -34.5934 -34.5934 -34.5933 -34.5933 -5.2887 -5.2887 -5.2878 -5.2878 -4.4504 -4.4504 -4.4289 -4.4289 -4.4284 -4.4284 2.1609 2.1609 7.2550 7.2550 7.2777 7.2777 8.0350 8.0350 8.3261 8.3261 8.4953 8.4953 11.2087 11.2087 11.6804 11.6804 12.0770 12.0770 13.9436 13.9436 14.9544 14.9544 k = 0.0918-0.0530 0.0750 ( 8067 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7849 -35.7849 -34.5934 -34.5934 -34.5933 -34.5933 -5.2885 -5.2885 -5.2874 -5.2874 -4.4500 -4.4500 -4.4286 -4.4286 -4.4280 -4.4280 2.1841 2.1841 7.2497 7.2497 7.2786 7.2786 8.0344 8.0344 8.2872 8.2872 8.4984 8.4984 11.1489 11.1489 11.6070 11.6070 12.0334 12.0334 14.0733 14.0733 14.9251 14.9251 k = 0.1020-0.0589 0.0833 ( 8067 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7953 -35.7953 -35.7849 -35.7849 -34.5934 -34.5934 -34.5932 -34.5932 -5.2883 -5.2883 -5.2870 -5.2870 -4.4495 -4.4495 -4.4283 -4.4283 -4.4276 -4.4276 2.2099 2.2099 7.2436 7.2436 7.2797 7.2797 8.0338 8.0338 8.2454 8.2454 8.5017 8.5017 11.0887 11.0887 11.5343 11.5343 11.9847 11.9847 14.1605 14.1605 14.9282 14.9282 k = 0.1122-0.0648 0.0916 ( 8072 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7953 -35.7953 -35.7850 -35.7850 -34.5935 -34.5935 -34.5932 -34.5932 -5.2881 -5.2881 -5.2866 -5.2866 -4.4490 -4.4490 -4.4280 -4.4280 -4.4273 -4.4273 2.2383 2.2383 7.2366 7.2366 7.2810 7.2810 8.0334 8.0334 8.2012 8.2012 8.5055 8.5055 11.0295 11.0295 11.4612 11.4612 11.9311 11.9311 14.1820 14.1820 14.9831 14.9831 k = 0.1224-0.0707 0.1000 ( 8068 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7953 -35.7953 -35.7851 -35.7851 -34.5935 -34.5935 -34.5932 -34.5932 -5.2879 -5.2879 -5.2861 -5.2861 -4.4485 -4.4485 -4.4277 -4.4277 -4.4269 -4.4269 2.2693 2.2693 7.2286 7.2286 7.2825 7.2825 8.0332 8.0332 8.1552 8.1552 8.5095 8.5095 10.9722 10.9722 11.3869 11.3869 11.8728 11.8728 14.1364 14.1364 15.0857 15.0857 k = 0.1327-0.0766 0.1083 ( 8068 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7952 -35.7952 -35.7852 -35.7852 -34.5935 -34.5935 -34.5932 -34.5932 -5.2876 -5.2876 -5.2856 -5.2856 -4.4480 -4.4480 -4.4273 -4.4273 -4.4265 -4.4265 2.3027 2.3027 7.2195 7.2195 7.2842 7.2842 8.0333 8.0333 8.1082 8.1082 8.5139 8.5139 10.9175 10.9175 11.3112 11.3112 11.8102 11.8102 14.0426 14.0426 15.2052 15.2052 k = 0.1429-0.0825 0.1166 ( 8080 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7952 -35.7952 -35.7853 -35.7853 -34.5935 -34.5935 -34.5931 -34.5931 -5.2873 -5.2873 -5.2851 -5.2851 -4.4474 -4.4474 -4.4269 -4.4269 -4.4260 -4.4260 2.3385 2.3385 7.2092 7.2092 7.2860 7.2860 8.0338 8.0338 8.0610 8.0610 8.5185 8.5185 10.8657 10.8657 11.2336 11.2336 11.7434 11.7434 13.9187 13.9187 15.3054 15.3054 k = 0.1531-0.0884 0.1250 ( 8068 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7951 -35.7951 -35.7854 -35.7854 -34.5935 -34.5935 -34.5931 -34.5931 -5.2870 -5.2870 -5.2845 -5.2845 -4.4468 -4.4468 -4.4265 -4.4265 -4.4256 -4.4256 2.3767 2.3767 7.1974 7.1974 7.2881 7.2881 8.0142 8.0142 8.0347 8.0347 8.5235 8.5235 10.8169 10.8169 11.1542 11.1542 11.6728 11.6728 13.7760 13.7760 15.3758 15.3758 k = 0.1633-0.0943 0.1333 ( 8068 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7951 -35.7951 -35.7854 -35.7854 -34.5935 -34.5935 -34.5931 -34.5931 -5.2867 -5.2867 -5.2840 -5.2840 -4.4462 -4.4462 -4.4260 -4.4260 -4.4253 -4.4253 2.4171 2.4171 7.1840 7.1840 7.2904 7.2904 7.9687 7.9687 8.0361 8.0361 8.5287 8.5287 10.7711 10.7711 11.0729 11.0729 11.5989 11.5989 13.6210 13.6210 15.4320 15.4320 k = 0.1735-0.1002 0.1416 ( 8068 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7950 -35.7950 -35.7855 -35.7855 -34.5935 -34.5935 -34.5930 -34.5930 -5.2864 -5.2864 -5.2834 -5.2834 -4.4456 -4.4456 -4.4255 -4.4255 -4.4249 -4.4249 2.4597 2.4597 7.1687 7.1687 7.2930 7.2930 7.9254 7.9254 8.0382 8.0382 8.5342 8.5342 10.7281 10.7281 10.9898 10.9898 11.5219 11.5219 13.4579 13.4579 15.4866 15.4866 k = 0.1837-0.1060 0.1500 ( 8072 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7950 -35.7950 -35.7856 -35.7856 -34.5936 -34.5936 -34.5930 -34.5930 -5.2861 -5.2861 -5.2829 -5.2829 -4.4449 -4.4449 -4.4250 -4.4250 -4.4245 -4.4245 2.5045 2.5045 7.1515 7.1515 7.2957 7.2957 7.8850 7.8850 8.0408 8.0408 8.5400 8.5400 10.6877 10.6877 10.9051 10.9051 11.4422 11.4422 13.2894 13.2894 15.5448 15.5448 k = 0.1939-0.1119 0.1583 ( 8088 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7949 -35.7949 -35.7858 -35.7858 -34.5936 -34.5936 -34.5929 -34.5929 -5.2858 -5.2858 -5.2824 -5.2824 -4.4443 -4.4443 -4.4244 -4.4244 -4.4242 -4.4242 2.5512 2.5512 7.1321 7.1321 7.2988 7.2988 7.8482 7.8482 8.0442 8.0442 8.5460 8.5460 10.6496 10.6496 10.8189 10.8189 11.3602 11.3602 13.1173 13.1173 15.6085 15.6085 k = 0.2041-0.1178 0.1666 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7949 -35.7949 -35.7859 -35.7859 -34.5936 -34.5936 -34.5929 -34.5929 -5.2855 -5.2855 -5.2819 -5.2819 -4.4437 -4.4437 -4.4239 -4.4239 -4.4239 -4.4239 2.5997 2.5997 7.1106 7.1106 7.3020 7.3020 7.8155 7.8155 8.0484 8.0484 8.5522 8.5522 10.6134 10.6134 10.7316 10.7316 11.2762 11.2762 12.9433 12.9433 15.6780 15.6780 k = 0.2143-0.1237 0.1750 ( 8100 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7949 -35.7949 -35.7860 -35.7860 -34.5936 -34.5936 -34.5929 -34.5929 -5.2851 -5.2851 -5.2813 -5.2813 -4.4431 -4.4431 -4.4237 -4.4237 -4.4233 -4.4233 2.6500 2.6500 7.0871 7.0871 7.3055 7.3055 7.7874 7.7874 8.0535 8.0535 8.5587 8.5587 10.5787 10.5787 10.6432 10.6432 11.1906 11.1906 12.7685 12.7685 15.7536 15.7536 k = 0.2245-0.1296 0.1833 ( 8092 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7948 -35.7948 -35.7861 -35.7861 -34.5936 -34.5936 -34.5928 -34.5928 -5.2848 -5.2848 -5.2809 -5.2809 -4.4425 -4.4425 -4.4234 -4.4234 -4.4226 -4.4226 2.7018 2.7018 7.0620 7.0620 7.3093 7.3093 7.7642 7.7642 8.0595 8.0595 8.5653 8.5653 10.5441 10.5441 10.5548 10.5548 11.1037 11.1037 12.5939 12.5939 15.8350 15.8350 k = 0.2347-0.1355 0.1916 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7947 -35.7947 -35.7862 -35.7862 -34.5937 -34.5937 -34.5928 -34.5928 -5.2844 -5.2844 -5.2804 -5.2804 -4.4419 -4.4419 -4.4233 -4.4233 -4.4220 -4.4220 2.7550 2.7550 7.0355 7.0355 7.3132 7.3132 7.7458 7.7458 8.0666 8.0666 8.5721 8.5721 10.4637 10.4637 10.5121 10.5121 11.0158 11.0158 12.4206 12.4206 15.9220 15.9220 k = 0.2449-0.1414 0.2000 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7947 -35.7947 -35.7863 -35.7863 -34.5937 -34.5937 -34.5927 -34.5927 -5.2841 -5.2841 -5.2799 -5.2799 -4.4413 -4.4413 -4.4231 -4.4231 -4.4213 -4.4213 2.8095 2.8095 7.0084 7.0084 7.3174 7.3174 7.7323 7.7323 8.0748 8.0748 8.5790 8.5790 10.3734 10.3734 10.4786 10.4786 10.9271 10.9271 12.2497 12.2497 16.0145 16.0145 k = 0.2551-0.1473 0.2083 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7946 -35.7946 -35.7865 -35.7865 -34.5937 -34.5937 -34.5927 -34.5927 -5.2837 -5.2837 -5.2795 -5.2795 -4.4407 -4.4407 -4.4230 -4.4230 -4.4206 -4.4206 2.8649 2.8649 6.9813 6.9813 7.3218 7.3218 7.7233 7.7233 8.0841 8.0841 8.5861 8.5861 10.2828 10.2828 10.4440 10.4440 10.8380 10.8380 12.0821 12.0821 16.1120 16.1120 k = 0.2653-0.1532 0.2166 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7946 -35.7946 -35.7866 -35.7866 -34.5937 -34.5937 -34.5927 -34.5927 -5.2834 -5.2834 -5.2791 -5.2791 -4.4402 -4.4402 -4.4229 -4.4229 -4.4199 -4.4199 2.9212 2.9212 6.9548 6.9548 7.3263 7.3263 7.7187 7.7187 8.0947 8.0947 8.5933 8.5933 10.1920 10.1920 10.4075 10.4075 10.7485 10.7485 11.9190 11.9190 16.2126 16.2126 k = 0.2755-0.1591 0.2250 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7945 -35.7945 -35.7867 -35.7867 -34.5937 -34.5937 -34.5926 -34.5926 -5.2831 -5.2831 -5.2788 -5.2788 -4.4397 -4.4397 -4.4229 -4.4229 -4.4192 -4.4192 2.9780 2.9780 6.9297 6.9297 7.3309 7.3309 7.7182 7.7182 8.1066 8.1066 8.6006 8.6006 10.1012 10.1012 10.3679 10.3679 10.6591 10.6591 11.7619 11.7619 16.2228 16.2228 k = 0.2857-0.1650 0.2333 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7945 -35.7945 -35.7868 -35.7868 -34.5938 -34.5938 -34.5926 -34.5926 -5.2827 -5.2827 -5.2784 -5.2784 -4.4392 -4.4392 -4.4229 -4.4229 -4.4185 -4.4185 3.0350 3.0350 6.9067 6.9067 7.3356 7.3356 7.7214 7.7214 8.1199 8.1199 8.6080 8.6080 10.0105 10.0105 10.3237 10.3237 10.5698 10.5698 11.6123 11.6123 16.2327 16.2327 k = 0.2959-0.1708 0.2416 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7944 -35.7944 -35.7869 -35.7869 -34.5938 -34.5938 -34.5925 -34.5925 -5.2824 -5.2824 -5.2781 -5.2781 -4.4387 -4.4387 -4.4230 -4.4230 -4.4178 -4.4178 3.0921 3.0921 6.8865 6.8865 7.3404 7.3404 7.7281 7.7281 8.1347 8.1347 8.6155 8.6155 9.9199 9.9199 10.2733 10.2733 10.4809 10.4809 11.4722 11.4722 16.2423 16.2423 k = 0.3061-0.1767 0.2499 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7944 -35.7944 -35.7870 -35.7870 -34.5938 -34.5938 -34.5925 -34.5925 -5.2821 -5.2821 -5.2779 -5.2779 -4.4382 -4.4382 -4.4230 -4.4230 -4.4171 -4.4171 3.1489 3.1489 6.8696 6.8696 7.3453 7.3453 7.7380 7.7380 8.1509 8.1509 8.6230 8.6230 9.8294 9.8294 10.2151 10.2151 10.3925 10.3925 11.3434 11.3434 16.2516 16.2516 k = 0.3163-0.1826 0.2583 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7943 -35.7943 -35.7871 -35.7871 -34.5938 -34.5938 -34.5924 -34.5924 -5.2818 -5.2818 -5.2776 -5.2776 -4.4378 -4.4378 -4.4232 -4.4232 -4.4164 -4.4164 3.2051 3.2051 6.8567 6.8567 7.3501 7.3501 7.7509 7.7509 8.1686 8.1686 8.6307 8.6307 9.7392 9.7392 10.1474 10.1474 10.3048 10.3048 11.2277 11.2277 16.2607 16.2607 k = 0.3265-0.1885 0.2666 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7943 -35.7943 -35.7872 -35.7872 -34.5938 -34.5938 -34.5924 -34.5924 -5.2815 -5.2815 -5.2774 -5.2774 -4.4374 -4.4374 -4.4233 -4.4233 -4.4157 -4.4157 3.2604 3.2604 6.8482 6.8482 7.3549 7.3549 7.7666 7.7666 8.1879 8.1879 8.6385 8.6385 9.6492 9.6492 10.0693 10.0693 10.2180 10.2180 11.1266 11.1266 16.2696 16.2696 k = 0.3367-0.1944 0.2749 ( 8100 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7942 -35.7942 -35.7873 -35.7873 -34.5939 -34.5939 -34.5924 -34.5924 -5.2812 -5.2812 -5.2772 -5.2772 -4.4370 -4.4370 -4.4235 -4.4235 -4.4150 -4.4150 3.3145 3.3145 6.8447 6.8447 7.3596 7.3596 7.7849 7.7849 8.2087 8.2087 8.6464 8.6464 9.5592 9.5592 9.9807 9.9807 10.1321 10.1321 11.0405 11.0405 16.2781 16.2781 k = 0.3469-0.2003 0.2833 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7942 -35.7942 -35.7874 -35.7874 -34.5939 -34.5939 -34.5923 -34.5923 -5.2809 -5.2809 -5.2771 -5.2771 -4.4367 -4.4367 -4.4237 -4.4237 -4.4144 -4.4144 3.3669 3.3669 6.8465 6.8465 7.3642 7.3642 7.8056 7.8056 8.2310 8.2310 8.6545 8.6545 9.4690 9.4690 9.8827 9.8827 10.0473 10.0473 10.9689 10.9689 16.2863 16.2863 k = 0.3571-0.2062 0.2916 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7941 -35.7941 -35.7875 -35.7875 -34.5939 -34.5939 -34.5923 -34.5923 -5.2806 -5.2806 -5.2769 -5.2769 -4.4363 -4.4363 -4.4239 -4.4239 -4.4138 -4.4138 3.4175 3.4175 6.8540 6.8540 7.3686 7.3686 7.8284 7.8284 8.2547 8.2547 8.6628 8.6628 9.3785 9.3785 9.7772 9.7772 9.9638 9.9638 10.9103 10.9103 16.2941 16.2941 k = 0.3673-0.2121 0.2999 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7941 -35.7941 -35.7876 -35.7876 -34.5939 -34.5939 -34.5922 -34.5922 -5.2804 -5.2804 -5.2768 -5.2768 -4.4360 -4.4360 -4.4241 -4.4241 -4.4132 -4.4132 3.4658 3.4658 6.8674 6.8674 7.3729 7.3729 7.8533 7.8533 8.2799 8.2799 8.6715 8.6715 9.2871 9.2871 9.6669 9.6669 9.8816 9.8816 10.8629 10.8629 16.3015 16.3015 k = 0.3776-0.2180 0.3083 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7940 -35.7940 -35.7877 -35.7877 -34.5939 -34.5939 -34.5922 -34.5922 -5.2801 -5.2801 -5.2767 -5.2767 -4.4357 -4.4357 -4.4243 -4.4243 -4.4126 -4.4126 3.5116 3.5116 6.8871 6.8871 7.3769 7.3769 7.8799 7.8799 8.3062 8.3062 8.6808 8.6808 9.1946 9.1946 9.5549 9.5549 9.8009 9.8009 10.8247 10.8247 16.3085 16.3085 k = 0.3878-0.2239 0.3166 ( 8104 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7940 -35.7940 -35.7878 -35.7878 -34.5939 -34.5939 -34.5922 -34.5922 -5.2799 -5.2799 -5.2767 -5.2767 -4.4354 -4.4354 -4.4245 -4.4245 -4.4121 -4.4121 3.5545 3.5545 6.9130 6.9130 7.3807 7.3807 7.9079 7.9079 8.3334 8.3334 8.6908 8.6908 9.1006 9.1006 9.4437 9.4437 9.7218 9.7218 10.7939 10.7939 16.3150 16.3150 k = 0.3980-0.2298 0.3249 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7940 -35.7940 -35.7878 -35.7878 -34.5939 -34.5939 -34.5921 -34.5921 -5.2797 -5.2797 -5.2766 -5.2766 -4.4352 -4.4352 -4.4248 -4.4248 -4.4116 -4.4116 3.5944 3.5944 6.9454 6.9454 7.3842 7.3842 7.9368 7.9368 8.3613 8.3613 8.7018 8.7018 9.0048 9.0048 9.3359 9.3359 9.6444 9.6444 10.7690 10.7690 16.3211 16.3211 k = 0.4082-0.2357 0.3333 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7939 -35.7939 -35.7879 -35.7879 -34.5940 -34.5940 -34.5921 -34.5921 -5.2795 -5.2795 -5.2766 -5.2766 -4.4350 -4.4350 -4.4250 -4.4250 -4.4111 -4.4111 3.6309 3.6309 6.9839 6.9839 7.3875 7.3875 7.9658 7.9658 8.3894 8.3894 8.7143 8.7143 8.9078 8.9078 9.2334 9.2334 9.5688 9.5688 10.7489 10.7489 16.3267 16.3267 k = 0.4184-0.2415 0.3416 ( 8140 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7939 -35.7939 -35.7880 -35.7880 -34.5940 -34.5940 -34.5921 -34.5921 -5.2793 -5.2793 -5.2766 -5.2766 -4.4348 -4.4348 -4.4252 -4.4252 -4.4107 -4.4107 3.6640 3.6640 7.0284 7.0284 7.3904 7.3904 7.9938 7.9938 8.4171 8.4171 8.7288 8.7288 8.8113 8.8113 9.1370 9.1370 9.4951 9.4951 10.7326 10.7326 16.3317 16.3317 k = 0.4286-0.2474 0.3499 ( 8136 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7939 -35.7939 -35.7880 -35.7880 -34.5940 -34.5940 -34.5921 -34.5921 -5.2792 -5.2792 -5.2765 -5.2765 -4.4346 -4.4346 -4.4254 -4.4254 -4.4103 -4.4103 3.6934 3.6934 7.0785 7.0785 7.3930 7.3930 8.0189 8.0189 8.4437 8.4437 8.7181 8.7181 8.7460 8.7460 9.0473 9.0473 9.4235 9.4235 10.7195 10.7195 16.3362 16.3362 k = 0.4388-0.2533 0.3583 ( 8136 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7939 -35.7939 -35.7881 -35.7881 -34.5940 -34.5940 -34.5921 -34.5921 -5.2791 -5.2791 -5.2765 -5.2765 -4.4345 -4.4345 -4.4256 -4.4256 -4.4100 -4.4100 3.7190 3.7190 7.1335 7.1335 7.3953 7.3953 8.0379 8.0379 8.4682 8.4682 8.6331 8.6331 8.7665 8.7665 8.9639 8.9639 9.3541 9.3541 10.7089 10.7089 16.3401 16.3401 k = 0.4490-0.2592 0.3666 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7881 -35.7881 -34.5940 -34.5940 -34.5920 -34.5920 -5.2789 -5.2789 -5.2765 -5.2765 -4.4343 -4.4343 -4.4257 -4.4257 -4.4097 -4.4097 3.7408 3.7408 7.1921 7.1921 7.3972 7.3972 8.0459 8.0459 8.4899 8.4899 8.5632 8.5632 8.7912 8.7912 8.8865 8.8865 9.2871 9.2871 10.7005 10.7005 16.3435 16.3435 k = 0.4592-0.2651 0.3749 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7881 -35.7881 -34.5940 -34.5940 -34.5920 -34.5920 -5.2789 -5.2789 -5.2765 -5.2765 -4.4342 -4.4342 -4.4258 -4.4258 -4.4095 -4.4095 3.7587 3.7587 7.2525 7.2525 7.3989 7.3989 8.0376 8.0376 8.5081 8.5081 8.5163 8.5163 8.8147 8.8147 8.8206 8.8206 9.2227 9.2227 10.6940 10.6940 16.3462 16.3462 k = 0.4694-0.2710 0.3833 ( 8148 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2788 -5.2788 -5.2765 -5.2765 -4.4341 -4.4341 -4.4260 -4.4260 -4.4093 -4.4093 3.7726 3.7726 7.3117 7.3117 7.4001 7.4001 8.0118 8.0118 8.4969 8.4969 8.5224 8.5224 8.7487 8.7487 8.8547 8.8547 9.1612 9.1612 10.6892 10.6892 16.3484 16.3484 k = 0.4796-0.2769 0.3916 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2787 -5.2787 -5.2765 -5.2765 -4.4341 -4.4341 -4.4260 -4.4260 -4.4092 -4.4092 3.7825 3.7825 7.3646 7.3646 7.4010 7.4010 7.9760 7.9760 8.5022 8.5022 8.5325 8.5325 8.6891 8.6891 8.8932 8.8932 9.1032 9.1032 10.6859 10.6859 16.3499 16.3499 k = 0.4898-0.2828 0.3999 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2787 -5.2787 -5.2765 -5.2765 -4.4340 -4.4340 -4.4261 -4.4261 -4.4091 -4.4091 3.7885 3.7885 7.4015 7.4015 7.4032 7.4032 7.9444 7.9444 8.5229 8.5229 8.5385 8.5385 8.6390 8.6390 8.9341 8.9341 9.0506 9.0506 10.6839 10.6839 16.3509 16.3509 k = 0.5000-0.2887 0.4082 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2787 -5.2787 -5.2765 -5.2765 -4.4340 -4.4340 -4.4261 -4.4261 -4.4091 -4.4091 3.7905 3.7905 7.4017 7.4017 7.4177 7.4177 7.9316 7.9316 8.5389 8.5389 8.5404 8.5404 8.6138 8.6138 8.9618 8.9618 9.0190 9.0190 10.6832 10.6832 16.3512 16.3512 k = 0.5000-0.2887 0.4082 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2787 -5.2787 -5.2765 -5.2765 -4.4340 -4.4340 -4.4261 -4.4261 -4.4091 -4.4091 3.7905 3.7905 7.4017 7.4017 7.4177 7.4177 7.9316 7.9316 8.5389 8.5389 8.5404 8.5404 8.6138 8.6138 8.9618 8.9618 9.0190 9.0190 10.6832 10.6832 16.3512 16.3512 k = 0.5000-0.2771 0.4164 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2787 -5.2787 -5.2765 -5.2765 -4.4340 -4.4340 -4.4261 -4.4261 -4.4091 -4.4091 3.7917 3.7917 7.3988 7.3988 7.4194 7.4194 7.9291 7.9291 8.4809 8.4809 8.5386 8.5386 8.6611 8.6611 8.9532 8.9532 9.0399 9.0399 10.6910 10.6910 16.3518 16.3518 k = 0.5000-0.2656 0.4246 ( 8136 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2786 -5.2786 -5.2765 -5.2765 -4.4340 -4.4340 -4.4260 -4.4260 -4.4091 -4.4091 3.7952 3.7952 7.3921 7.3921 7.4226 7.4226 7.9206 7.9206 8.3925 8.3925 8.5348 8.5348 8.7189 8.7189 8.9411 8.9411 9.0870 9.0870 10.7143 10.7143 16.3538 16.3538 k = 0.5000-0.2540 0.4327 ( 8136 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2786 -5.2786 -5.2765 -5.2765 -4.4339 -4.4339 -4.4260 -4.4260 -4.4091 -4.4091 3.8011 3.8011 7.3833 7.3833 7.4252 7.4252 7.9027 7.9027 8.3047 8.3047 8.5288 8.5288 8.7644 8.7644 8.9325 8.9325 9.1480 9.1480 10.7536 10.7536 16.3571 16.3571 k = 0.5000-0.2425 0.4409 ( 8124 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7937 -35.7937 -35.7883 -35.7883 -34.5940 -34.5940 -34.5920 -34.5920 -5.2785 -5.2785 -5.2765 -5.2765 -4.4338 -4.4338 -4.4259 -4.4259 -4.4092 -4.4092 3.8093 3.8093 7.3731 7.3731 7.4267 7.4267 7.8699 7.8699 8.2288 8.2288 8.5209 8.5209 8.7993 8.7993 8.9274 8.9274 9.2153 9.2153 10.8092 10.8092 16.3619 16.3619 k = 0.5000-0.2309 0.4491 ( 8126 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7937 -35.7937 -35.7883 -35.7883 -34.5940 -34.5940 -34.5920 -34.5920 -5.2784 -5.2784 -5.2764 -5.2764 -4.4336 -4.4336 -4.4258 -4.4258 -4.4093 -4.4093 3.8197 3.8197 7.3613 7.3613 7.4267 7.4267 7.8166 7.8166 8.1733 8.1733 8.5114 8.5114 8.8272 8.8272 8.9250 8.9250 9.2829 9.2829 10.8813 10.8813 16.3681 16.3681 k = 0.5000-0.2194 0.4572 ( 8126 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7936 -35.7936 -35.7884 -35.7884 -34.5940 -34.5940 -34.5921 -34.5921 -5.2783 -5.2783 -5.2764 -5.2764 -4.4334 -4.4334 -4.4256 -4.4256 -4.4094 -4.4094 3.8323 3.8323 7.3474 7.3474 7.4247 7.4247 7.7438 7.7438 8.1400 8.1400 8.5009 8.5009 8.8508 8.8508 8.9247 8.9247 9.3465 9.3465 10.9700 10.9700 16.3760 16.3760 k = 0.5000-0.2078 0.4654 ( 8118 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7935 -35.7935 -35.7884 -35.7884 -34.5939 -34.5939 -34.5921 -34.5921 -5.2782 -5.2782 -5.2764 -5.2764 -4.4333 -4.4333 -4.4254 -4.4254 -4.4095 -4.4095 3.8470 3.8470 7.3300 7.3300 7.4198 7.4198 7.6606 7.6606 8.1235 8.1235 8.4894 8.4894 8.8717 8.8717 8.9259 8.9259 9.4038 9.4038 11.0748 11.0748 16.3857 16.3857 k = 0.5000-0.1963 0.4736 ( 8104 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7934 -35.7934 -35.7885 -35.7885 -34.5939 -34.5939 -34.5921 -34.5921 -5.2780 -5.2780 -5.2763 -5.2763 -4.4331 -4.4331 -4.4252 -4.4252 -4.4096 -4.4096 3.8636 3.8636 7.3059 7.3059 7.4104 7.4104 7.5793 7.5793 8.1176 8.1176 8.4775 8.4775 8.8908 8.8908 8.9283 8.9283 9.4538 9.4538 11.1946 11.1946 16.3973 16.3973 k = 0.5000-0.1848 0.4817 ( 8104 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7934 -35.7934 -35.7886 -35.7886 -34.5939 -34.5939 -34.5921 -34.5921 -5.2779 -5.2779 -5.2763 -5.2763 -4.4328 -4.4328 -4.4250 -4.4250 -4.4098 -4.4098 3.8822 3.8822 7.2678 7.2678 7.3937 7.3937 7.5149 7.5149 8.1181 8.1181 8.4653 8.4653 8.9084 8.9084 8.9317 8.9317 9.4966 9.4966 11.3282 11.3282 16.4109 16.4109 k = 0.5000-0.1732 0.4899 ( 8104 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7933 -35.7933 -35.7887 -35.7887 -34.5939 -34.5939 -34.5921 -34.5921 -5.2778 -5.2778 -5.2762 -5.2762 -4.4326 -4.4326 -4.4247 -4.4247 -4.4100 -4.4100 3.9024 3.9024 7.2076 7.2076 7.3715 7.3715 7.4770 7.4770 8.1225 8.1225 8.4529 8.4529 8.9247 8.9247 8.9362 8.9362 9.5327 9.5327 11.4742 11.4742 16.4267 16.4267 k = 0.5000-0.1617 0.4981 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7932 -35.7932 -35.7888 -35.7888 -34.5939 -34.5939 -34.5922 -34.5922 -5.2776 -5.2776 -5.2761 -5.2761 -4.4324 -4.4324 -4.4244 -4.4244 -4.4102 -4.4102 3.9241 3.9241 7.1279 7.1279 7.3512 7.3512 7.4578 7.4578 8.1294 8.1294 8.4405 8.4405 8.9379 8.9379 8.9433 8.9433 9.5628 9.5628 11.6312 11.6312 16.4447 16.4447 k = 0.5000-0.1501 0.5062 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7931 -35.7931 -35.7889 -35.7889 -34.5938 -34.5938 -34.5922 -34.5922 -5.2775 -5.2775 -5.2760 -5.2760 -4.4322 -4.4322 -4.4240 -4.4240 -4.4104 -4.4104 3.9472 3.9472 7.0385 7.0385 7.3349 7.3349 7.4465 7.4465 8.1380 8.1380 8.4282 8.4282 8.9448 8.9448 8.9562 8.9562 9.5877 9.5877 11.7978 11.7978 16.4649 16.4649 k = 0.5000-0.1386 0.5144 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7929 -35.7929 -35.7890 -35.7890 -34.5938 -34.5938 -34.5922 -34.5922 -5.2774 -5.2774 -5.2759 -5.2759 -4.4320 -4.4320 -4.4237 -4.4237 -4.4106 -4.4106 3.9712 3.9712 6.9464 6.9464 7.3218 7.3218 7.4385 7.4385 8.1477 8.1477 8.4161 8.4161 8.9507 8.9507 8.9694 8.9694 9.6084 9.6084 11.9727 11.9727 16.4869 16.4869 k = 0.5000-0.1270 0.5226 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7928 -35.7928 -35.7892 -35.7892 -34.5938 -34.5938 -34.5923 -34.5923 -5.2772 -5.2772 -5.2758 -5.2758 -4.4319 -4.4319 -4.4233 -4.4233 -4.4109 -4.4109 3.9960 3.9960 6.8555 6.8555 7.3106 7.3106 7.4319 7.4319 8.1581 8.1581 8.4042 8.4042 8.9568 8.9568 8.9817 8.9817 9.6255 9.6255 12.1550 12.1550 16.5091 16.5091 k = 0.5000-0.1155 0.5307 ( 8106 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7927 -35.7927 -35.7893 -35.7893 -34.5937 -34.5937 -34.5923 -34.5923 -5.2772 -5.2772 -5.2757 -5.2757 -4.4317 -4.4317 -4.4228 -4.4228 -4.4111 -4.4111 4.0211 4.0211 6.7679 6.7679 7.3009 7.3009 7.4260 7.4260 8.1691 8.1691 8.3925 8.3925 8.9629 8.9629 8.9928 8.9928 9.6396 9.6396 12.3437 12.3437 16.5242 16.5242 k = 0.5000-0.1039 0.5389 ( 8118 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7926 -35.7926 -35.7894 -35.7894 -34.5937 -34.5937 -34.5923 -34.5923 -5.2771 -5.2771 -5.2756 -5.2756 -4.4316 -4.4316 -4.4224 -4.4224 -4.4114 -4.4114 4.0462 4.0462 6.6849 6.6849 7.2924 7.2924 7.4207 7.4207 8.1803 8.1803 8.3811 8.3811 8.9691 8.9691 9.0028 9.0028 9.6512 9.6512 12.5380 12.5380 16.4811 16.4811 k = 0.5000-0.0924 0.5471 ( 8110 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7924 -35.7924 -35.7896 -35.7896 -34.5937 -34.5937 -34.5924 -34.5924 -5.2770 -5.2770 -5.2754 -5.2754 -4.4314 -4.4314 -4.4219 -4.4219 -4.4117 -4.4117 4.0709 4.0709 6.6076 6.6076 7.2848 7.2848 7.4159 7.4159 8.1916 8.1916 8.3699 8.3699 8.9752 8.9752 9.0116 9.0116 9.6607 9.6607 12.7374 12.7374 16.3023 16.3023 k = 0.5000-0.0808 0.5552 ( 8118 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5936 -34.5936 -34.5924 -34.5924 -5.2769 -5.2769 -5.2753 -5.2753 -4.4313 -4.4313 -4.4215 -4.4215 -4.4120 -4.4120 4.0946 4.0946 6.5368 6.5368 7.2783 7.2783 7.4114 7.4114 8.2029 8.2029 8.3589 8.3589 8.9811 8.9811 9.0192 9.0192 9.6685 9.6685 12.9413 12.9413 16.0805 16.0805 k = 0.5000-0.0693 0.5634 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7921 -35.7921 -35.7898 -35.7898 -34.5936 -34.5936 -34.5924 -34.5924 -5.2769 -5.2769 -5.2752 -5.2752 -4.4312 -4.4312 -4.4210 -4.4210 -4.4123 -4.4123 4.1167 4.1167 6.4735 6.4735 7.2726 7.2726 7.4075 7.4075 8.2142 8.2142 8.3481 8.3481 8.9866 8.9866 9.0256 9.0256 9.6748 9.6748 13.1492 13.1492 15.8511 15.8511 k = 0.5000-0.0577 0.5715 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7900 -35.7900 -34.5936 -34.5936 -34.5924 -34.5924 -5.2769 -5.2769 -5.2751 -5.2751 -4.4311 -4.4311 -4.4206 -4.4206 -4.4126 -4.4126 4.1368 4.1368 6.4183 6.4183 7.2679 7.2679 7.4040 7.4040 8.2253 8.2253 8.3375 8.3375 8.9916 8.9916 9.0309 9.0309 9.6799 9.6799 13.3607 13.3607 15.6199 15.6199 k = 0.5000-0.0462 0.5797 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7919 -35.7919 -35.7901 -35.7901 -34.5936 -34.5936 -34.5925 -34.5925 -5.2768 -5.2768 -5.2750 -5.2750 -4.4311 -4.4311 -4.4202 -4.4202 -4.4128 -4.4128 4.1543 4.1543 6.3720 6.3720 7.2640 7.2640 7.4011 7.4011 8.2362 8.2362 8.3271 8.3271 8.9960 8.9960 9.0350 9.0350 9.6838 9.6838 13.5753 13.5753 15.3885 15.3885 k = 0.5000-0.0346 0.5879 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7918 -35.7918 -35.7902 -35.7902 -34.5936 -34.5936 -34.5925 -34.5925 -5.2768 -5.2768 -5.2749 -5.2749 -4.4310 -4.4310 -4.4199 -4.4199 -4.4131 -4.4131 4.1685 4.1685 6.3352 6.3352 7.2609 7.2609 7.3988 7.3988 8.2467 8.2467 8.3171 8.3171 8.9996 8.9996 9.0382 9.0382 9.6867 9.6867 13.7925 13.7925 15.1580 15.1580 k = 0.5000-0.0231 0.5960 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7903 -35.7903 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2749 -5.2749 -4.4310 -4.4310 -4.4196 -4.4196 -4.4133 -4.4133 4.1791 4.1791 6.3085 6.3085 7.2588 7.2588 7.3971 7.3971 8.2566 8.2566 8.3076 8.3076 9.0024 9.0024 9.0403 9.0403 9.6888 9.6888 14.0114 14.0114 14.9295 14.9295 k = 0.5000-0.0115 0.6042 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4194 -4.4194 -4.4134 -4.4134 4.1856 4.1856 6.2923 6.2923 7.2575 7.2575 7.3961 7.3961 8.2648 8.2648 8.2996 8.2996 9.0040 9.0040 9.0416 9.0416 9.6900 9.6900 14.2289 14.2289 14.7062 14.7062 k = 0.5000 0.0000 0.6124 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4194 -4.4194 -4.4134 -4.4134 4.1878 4.1878 6.2868 6.2868 7.2571 7.2571 7.3958 7.3958 8.2686 8.2686 8.2959 8.2959 9.0046 9.0046 9.0420 9.0420 9.6903 9.6903 14.3917 14.3917 14.5415 14.5415 k = 0.5000 0.0000 0.6124 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4194 -4.4194 -4.4134 -4.4134 4.1878 4.1878 6.2868 6.2868 7.2571 7.2571 7.3958 7.3958 8.2686 8.2686 8.2959 8.2959 9.0046 9.0046 9.0420 9.0420 9.6903 9.6903 14.3917 14.3917 14.5415 14.5415 k = 0.4931 0.0120 0.6124 ( 8113 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4194 -4.4194 -4.4134 -4.4134 4.1867 4.1867 6.2874 6.2874 7.2570 7.2570 7.3964 7.3964 8.2589 8.2589 8.3051 8.3051 8.9965 8.9965 9.0518 9.0518 9.6927 9.6927 14.2910 14.2910 14.6422 14.6422 k = 0.4861 0.0241 0.6124 ( 8113 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4195 -4.4195 -4.4133 -4.4133 4.1837 4.1837 6.2889 6.2889 7.2567 7.2567 7.3983 7.3983 8.2424 8.2424 8.3197 8.3197 8.9819 8.9819 9.0722 9.0722 9.6996 9.6996 14.1389 14.1389 14.7951 14.7951 k = 0.4792 0.0361 0.6124 ( 8103 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7903 -35.7903 -34.5935 -34.5935 -34.5925 -34.5925 -5.2769 -5.2769 -5.2748 -5.2748 -4.4310 -4.4310 -4.4196 -4.4196 -4.4132 -4.4132 4.1791 4.1791 6.2911 6.2911 7.2564 7.2564 7.4012 7.4012 8.2253 8.2253 8.3327 8.3327 8.9676 8.9676 9.0966 9.0966 9.7111 9.7111 13.9811 13.9811 14.9550 14.9550 k = 0.4722 0.0481 0.6124 ( 8101 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7903 -35.7903 -34.5935 -34.5935 -34.5925 -34.5925 -5.2769 -5.2769 -5.2748 -5.2748 -4.4310 -4.4310 -4.4198 -4.4198 -4.4131 -4.4131 4.1732 4.1732 6.2939 6.2939 7.2561 7.2561 7.4048 7.4048 8.2088 8.2088 8.3427 8.3427 8.9553 8.9553 9.1235 9.1235 9.7274 9.7274 13.8224 13.8224 15.1177 15.1177 k = 0.4653 0.0601 0.6124 ( 8103 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7918 -35.7918 -35.7902 -35.7902 -34.5936 -34.5936 -34.5925 -34.5925 -5.2770 -5.2770 -5.2747 -5.2747 -4.4311 -4.4311 -4.4200 -4.4200 -4.4129 -4.4129 4.1663 4.1663 6.2970 6.2970 7.2558 7.2558 7.4090 7.4090 8.1930 8.1930 8.3490 8.3490 8.9456 8.9456 9.1519 9.1519 9.7487 9.7487 13.6644 13.6644 15.2819 15.2819 k = 0.4583 0.0722 0.6124 ( 8107 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7918 -35.7918 -35.7901 -35.7901 -34.5936 -34.5936 -34.5925 -34.5925 -5.2771 -5.2771 -5.2747 -5.2747 -4.4311 -4.4311 -4.4202 -4.4202 -4.4127 -4.4127 4.1587 4.1587 6.3004 6.3004 7.2556 7.2556 7.4136 7.4136 8.1783 8.1783 8.3514 8.3514 8.9385 8.9385 9.1811 9.1811 9.7752 9.7752 13.5084 13.5084 15.4466 15.4466 k = 0.4514 0.0842 0.6124 ( 8111 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7919 -35.7919 -35.7901 -35.7901 -34.5936 -34.5936 -34.5925 -34.5925 -5.2772 -5.2772 -5.2746 -5.2746 -4.4311 -4.4311 -4.4205 -4.4205 -4.4125 -4.4125 4.1508 4.1508 6.3039 6.3039 7.2555 7.2555 7.4184 7.4184 8.1648 8.1648 8.3499 8.3499 8.9340 8.9340 9.2101 9.2101 9.8072 9.8072 13.3555 13.3555 15.6106 15.6106 k = 0.4444 0.0962 0.6124 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7900 -35.7900 -34.5936 -34.5936 -34.5925 -34.5925 -5.2773 -5.2773 -5.2746 -5.2746 -4.4311 -4.4311 -4.4207 -4.4207 -4.4124 -4.4124 4.1427 4.1427 6.3074 6.3074 7.2555 7.2555 7.4233 7.4233 8.1525 8.1525 8.3451 8.3451 8.9317 8.9317 9.2381 9.2381 9.8446 9.8446 13.2066 13.2066 15.7721 15.7721 k = 0.4375 0.1083 0.6124 ( 8115 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7899 -35.7899 -34.5936 -34.5936 -34.5924 -34.5924 -5.2774 -5.2774 -5.2745 -5.2745 -4.4312 -4.4312 -4.4209 -4.4209 -4.4122 -4.4122 4.1347 4.1347 6.3107 6.3107 7.2556 7.2556 7.4281 7.4281 8.1415 8.1415 8.3377 8.3377 8.9311 8.9311 9.2642 9.2642 9.8873 9.8873 13.0630 13.0630 15.9286 15.9286 k = 0.4306 0.1203 0.6124 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7921 -35.7921 -35.7899 -35.7899 -34.5936 -34.5936 -34.5924 -34.5924 -5.2775 -5.2775 -5.2745 -5.2745 -4.4312 -4.4312 -4.4211 -4.4211 -4.4120 -4.4120 4.1270 4.1270 6.3139 6.3139 7.2559 7.2559 7.4329 7.4329 8.1318 8.1318 8.3283 8.3283 8.9318 8.9318 9.2878 9.2878 9.9345 9.9345 12.9259 12.9259 16.0760 16.0760 k = 0.4236 0.1323 0.6124 ( 8101 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7921 -35.7921 -35.7898 -35.7898 -34.5936 -34.5936 -34.5924 -34.5924 -5.2776 -5.2776 -5.2744 -5.2744 -4.4312 -4.4312 -4.4213 -4.4213 -4.4118 -4.4118 4.1198 4.1198 6.3168 6.3168 7.2562 7.2562 7.4374 7.4374 8.1236 8.1236 8.3179 8.3179 8.9333 8.9333 9.3086 9.3086 9.9849 9.9849 12.7968 12.7968 16.2082 16.2082 k = 0.4167 0.1443 0.6124 ( 8113 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7922 -35.7922 -35.7898 -35.7898 -34.5936 -34.5936 -34.5924 -34.5924 -5.2777 -5.2777 -5.2744 -5.2744 -4.4312 -4.4312 -4.4215 -4.4215 -4.4117 -4.4117 4.1132 4.1132 6.3194 6.3194 7.2566 7.2566 7.4415 7.4415 8.1166 8.1166 8.3071 8.3071 8.9352 8.9352 9.3263 9.3263 10.0369 10.0369 12.6775 12.6775 16.3179 16.3179 k = 0.4097 0.1564 0.6124 ( 8107 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7922 -35.7922 -35.7897 -35.7897 -34.5936 -34.5936 -34.5924 -34.5924 -5.2777 -5.2777 -5.2744 -5.2744 -4.4313 -4.4313 -4.4217 -4.4217 -4.4116 -4.4116 4.1074 4.1074 6.3216 6.3216 7.2569 7.2569 7.4452 7.4452 8.1109 8.1109 8.2966 8.2966 8.9373 8.9373 9.3409 9.3409 10.0881 10.0881 12.5699 12.5699 16.3997 16.3997 k = 0.4028 0.1684 0.6124 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7922 -35.7922 -35.7897 -35.7897 -34.5936 -34.5936 -34.5924 -34.5924 -5.2778 -5.2778 -5.2744 -5.2744 -4.4313 -4.4313 -4.4218 -4.4218 -4.4115 -4.4115 4.1026 4.1026 6.3235 6.3235 7.2573 7.2573 7.4484 7.4484 8.1064 8.1064 8.2871 8.2871 8.9392 8.9392 9.3526 9.3526 10.1361 10.1361 12.4764 12.4764 16.4548 16.4548 k = 0.3958 0.1804 0.6124 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2778 -5.2778 -5.2743 -5.2743 -4.4313 -4.4313 -4.4219 -4.4219 -4.4114 -4.4114 4.0987 4.0987 6.3250 6.3250 7.2576 7.2576 7.4510 7.4510 8.1031 8.1031 8.2791 8.2791 8.9409 8.9409 9.3615 9.3615 10.1778 10.1778 12.3996 12.3996 16.4890 16.4890 k = 0.3889 0.1925 0.6124 ( 8118 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0958 4.0958 6.3261 6.3261 7.2578 7.2578 7.4529 7.4529 8.1008 8.1008 8.2730 8.2730 8.9422 8.9422 9.3677 9.3677 10.2103 10.2103 12.3423 12.3423 16.5089 16.5089 k = 0.3819 0.2045 0.6124 ( 8118 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0941 4.0941 6.3267 6.3267 7.2580 7.2580 7.4540 7.4540 8.0995 8.0995 8.2692 8.2692 8.9430 8.9430 9.3714 9.3714 10.2310 10.2310 12.3067 12.3067 16.5193 16.5193 k = 0.3750 0.2165 0.6124 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0935 4.0935 6.3269 6.3269 7.2580 7.2580 7.4544 7.4544 8.0991 8.0991 8.2680 8.2680 8.9433 8.9433 9.3726 9.3726 10.2382 10.2382 12.2947 12.2947 16.5224 16.5224 k = 0.3750 0.2165 0.6124 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0935 4.0935 6.3269 6.3269 7.2580 7.2580 7.4544 7.4544 8.0991 8.0991 8.2680 8.2680 8.9433 8.9433 9.3726 9.3726 10.2382 10.2382 12.2947 12.2947 16.5224 16.5224 k = 0.3678 0.2123 0.6006 ( 8124 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7921 -35.7921 -35.7898 -35.7898 -34.5936 -34.5936 -34.5924 -34.5924 -5.2779 -5.2779 -5.2741 -5.2741 -4.4312 -4.4312 -4.4217 -4.4217 -4.4114 -4.4114 4.1170 4.1170 6.2277 6.2277 7.2465 7.2465 7.4455 7.4455 8.0990 8.0990 8.2767 8.2767 8.9624 8.9624 9.3783 9.3783 10.3378 10.3378 12.4116 12.4116 16.5176 16.5176 k = 0.3606 0.2082 0.5888 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7899 -35.7899 -34.5936 -34.5936 -34.5925 -34.5925 -5.2780 -5.2780 -5.2738 -5.2738 -4.4312 -4.4312 -4.4213 -4.4213 -4.4116 -4.4116 4.1376 4.1376 6.1351 6.1351 7.2355 7.2355 7.4367 7.4367 8.1007 8.1007 8.2858 8.2858 8.9820 8.9820 9.3848 9.3848 10.4391 10.4391 12.5240 12.5240 16.5014 16.5014 k = 0.3534 0.2040 0.5770 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7918 -35.7918 -35.7901 -35.7901 -34.5936 -34.5936 -34.5925 -34.5925 -5.2781 -5.2781 -5.2736 -5.2736 -4.4312 -4.4312 -4.4211 -4.4211 -4.4117 -4.4117 4.1544 4.1544 6.0505 6.0505 7.2249 7.2249 7.4280 7.4280 8.1036 8.1036 8.2951 8.2951 9.0014 9.0014 9.3931 9.3931 10.5420 10.5420 12.6314 12.6314 16.4730 16.4730 k = 0.3462 0.1999 0.5653 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7902 -35.7902 -34.5935 -34.5935 -34.5925 -34.5925 -5.2782 -5.2782 -5.2733 -5.2733 -4.4312 -4.4312 -4.4208 -4.4208 -4.4117 -4.4117 4.1662 4.1662 5.9751 5.9751 7.2148 7.2148 7.4198 7.4198 8.1074 8.1074 8.3047 8.3047 9.0199 9.0199 9.4040 9.4040 10.6465 10.6465 12.7331 12.7331 16.4328 16.4328 k = 0.3389 0.1957 0.5535 ( 8124 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7903 -35.7903 -34.5935 -34.5935 -34.5926 -34.5926 -5.2784 -5.2784 -5.2731 -5.2731 -4.4312 -4.4312 -4.4207 -4.4207 -4.4118 -4.4118 4.1716 4.1716 5.9104 5.9104 7.2053 7.2053 7.4121 7.4121 8.1117 8.1117 8.3149 8.3149 9.0366 9.0366 9.4185 9.4185 10.7525 10.7525 12.8289 12.8289 16.3829 16.3829 k = 0.3317 0.1915 0.5417 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5926 -34.5926 -5.2785 -5.2785 -5.2730 -5.2730 -4.4313 -4.4313 -4.4205 -4.4205 -4.4118 -4.4118 4.1694 4.1694 5.8577 5.8577 7.1965 7.1965 7.4051 7.4051 8.1159 8.1159 8.3258 8.3258 9.0509 9.0509 9.4375 9.4375 10.8599 10.8599 12.9186 12.9186 16.3259 16.3259 k = 0.3245 0.1874 0.5299 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5926 -34.5926 -5.2786 -5.2786 -5.2728 -5.2728 -4.4314 -4.4314 -4.4205 -4.4205 -4.4117 -4.4117 4.1587 4.1587 5.8180 5.8180 7.1884 7.1884 7.3989 7.3989 8.1197 8.1197 8.3377 8.3377 9.0622 9.0622 9.4615 9.4615 10.9686 10.9686 13.0021 13.0021 16.2642 16.2642 k = 0.3173 0.1832 0.5182 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7903 -35.7903 -34.5935 -34.5935 -34.5927 -34.5927 -5.2788 -5.2788 -5.2727 -5.2727 -4.4315 -4.4315 -4.4205 -4.4205 -4.4117 -4.4117 4.1387 4.1387 5.7920 5.7920 7.1811 7.1811 7.3936 7.3936 8.1228 8.1228 8.3506 8.3506 9.0704 9.0704 9.4908 9.4908 11.0786 11.0786 13.0794 13.0794 16.1998 16.1998 k = 0.3101 0.1790 0.5064 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7902 -35.7902 -34.5934 -34.5934 -34.5927 -34.5927 -5.2790 -5.2790 -5.2726 -5.2726 -4.4316 -4.4316 -4.4206 -4.4206 -4.4116 -4.4116 4.1092 4.1092 5.7800 5.7800 7.1746 7.1746 7.3893 7.3893 8.1249 8.1249 8.3646 8.3646 9.0754 9.0754 9.5256 9.5256 11.1899 11.1899 13.1508 13.1508 16.1344 16.1344 k = 0.3029 0.1749 0.4946 ( 8124 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7901 -35.7901 -34.5934 -34.5934 -34.5927 -34.5927 -5.2792 -5.2792 -5.2726 -5.2726 -4.4318 -4.4318 -4.4208 -4.4208 -4.4115 -4.4115 4.0706 4.0706 5.7814 5.7814 7.1691 7.1691 7.3860 7.3860 8.1258 8.1258 8.3798 8.3798 9.0779 9.0779 9.5653 9.5653 11.3022 11.3022 13.2167 13.2167 16.0689 16.0689 k = 0.2957 0.1707 0.4828 ( 8122 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7919 -35.7919 -35.7899 -35.7899 -34.5934 -34.5934 -34.5927 -34.5927 -5.2794 -5.2794 -5.2726 -5.2726 -4.4321 -4.4321 -4.4209 -4.4209 -4.4115 -4.4115 4.0237 4.0237 5.7957 5.7957 7.1645 7.1645 7.3839 7.3839 8.1256 8.1256 8.3959 8.3959 9.0782 9.0782 9.6097 9.6097 11.4157 11.4157 13.2774 13.2774 16.0039 16.0039 k = 0.2885 0.1665 0.4711 ( 8122 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7897 -35.7897 -34.5934 -34.5934 -34.5927 -34.5927 -5.2796 -5.2796 -5.2726 -5.2726 -4.4323 -4.4323 -4.4212 -4.4212 -4.4114 -4.4114 3.9694 3.9694 5.8215 5.8215 7.1609 7.1609 7.3829 7.3829 8.1243 8.1243 8.4127 8.4127 9.0771 9.0771 9.6583 9.6583 11.5301 11.5301 13.3334 13.3334 15.9397 15.9397 k = 0.2812 0.1624 0.4593 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7922 -35.7922 -35.7895 -35.7895 -34.5934 -34.5934 -34.5928 -34.5928 -5.2798 -5.2798 -5.2727 -5.2727 -4.4326 -4.4326 -4.4214 -4.4214 -4.4114 -4.4114 3.9091 3.9091 5.8576 5.8576 7.1584 7.1584 7.3831 7.3831 8.1219 8.1219 8.4298 8.4298 9.0753 9.0753 9.7105 9.7105 11.6454 11.6454 13.3854 13.3854 15.8758 15.8758 k = 0.2740 0.1582 0.4475 ( 8122 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7893 -35.7893 -34.5934 -34.5934 -34.5928 -34.5928 -5.2800 -5.2800 -5.2728 -5.2728 -4.4329 -4.4329 -4.4217 -4.4217 -4.4114 -4.4114 3.8439 3.8439 5.9026 5.9026 7.1569 7.1569 7.3845 7.3845 8.1186 8.1186 8.4470 8.4470 9.0735 9.0735 9.7661 9.7661 11.7614 11.7614 13.4340 13.4340 15.8108 15.8108 k = 0.2668 0.1541 0.4357 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7925 -35.7925 -35.7891 -35.7891 -34.5934 -34.5934 -34.5928 -34.5928 -5.2803 -5.2803 -5.2729 -5.2729 -4.4333 -4.4333 -4.4220 -4.4220 -4.4114 -4.4114 3.7751 3.7751 5.9552 5.9552 7.1564 7.1564 7.3873 7.3873 8.1145 8.1145 8.4638 8.4638 9.0723 9.0723 9.8247 9.8247 11.8781 11.8781 13.4797 13.4797 15.7412 15.7412 k = 0.2596 0.1499 0.4240 ( 8104 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7927 -35.7927 -35.7889 -35.7889 -34.5934 -34.5934 -34.5928 -34.5928 -5.2806 -5.2806 -5.2731 -5.2731 -4.4337 -4.4337 -4.4223 -4.4223 -4.4115 -4.4115 3.7036 3.7036 6.0142 6.0142 7.1569 7.1569 7.3915 7.3915 8.1099 8.1099 8.4797 8.4797 9.0725 9.0725 9.8859 9.8859 11.9953 11.9953 13.5233 13.5233 15.6582 15.6582 k = 0.2524 0.1457 0.4122 ( 8100 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7928 -35.7928 -35.7887 -35.7887 -34.5934 -34.5934 -34.5928 -34.5928 -5.2808 -5.2808 -5.2733 -5.2733 -4.4341 -4.4341 -4.4226 -4.4226 -4.4117 -4.4117 3.6303 3.6303 6.0785 6.0785 7.1585 7.1585 7.3973 7.3973 8.1047 8.1047 8.4942 8.4942 9.0748 9.0748 9.9495 9.9495 12.1128 12.1128 13.5652 13.5652 15.5520 15.5520 k = 0.2452 0.1416 0.4004 ( 8104 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7930 -35.7930 -35.7885 -35.7885 -34.5934 -34.5934 -34.5928 -34.5928 -5.2811 -5.2811 -5.2736 -5.2736 -4.4346 -4.4346 -4.4229 -4.4229 -4.4119 -4.4119 3.5559 3.5559 6.1470 6.1470 7.1609 7.1609 7.4046 7.4046 8.0993 8.0993 8.5070 8.5070 9.0798 9.0798 10.0152 10.0152 12.2304 12.2304 13.6062 13.6062 15.4266 15.4266 k = 0.2380 0.1374 0.3886 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7931 -35.7931 -35.7883 -35.7883 -34.5935 -34.5935 -34.5928 -34.5928 -5.2814 -5.2814 -5.2739 -5.2739 -4.4351 -4.4351 -4.4232 -4.4232 -4.4121 -4.4121 3.4811 3.4811 6.2188 6.2188 7.1642 7.1642 7.4137 7.4137 8.0937 8.0937 8.5176 8.5176 9.0882 9.0882 10.0829 10.0829 12.3479 12.3479 13.6466 13.6466 15.2930 15.2930 k = 0.2308 0.1332 0.3768 ( 8092 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7933 -35.7933 -35.7881 -35.7881 -34.5935 -34.5935 -34.5928 -34.5928 -5.2817 -5.2817 -5.2743 -5.2743 -4.4356 -4.4356 -4.4235 -4.4235 -4.4124 -4.4124 3.4064 3.4064 6.2929 6.2929 7.1683 7.1683 7.4247 7.4247 8.0881 8.0881 8.5257 8.5257 9.1006 9.1006 10.1524 10.1524 12.4650 12.4650 13.6868 13.6868 15.1576 15.1576 k = 0.2236 0.1291 0.3651 ( 8094 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7934 -35.7934 -35.7879 -35.7879 -34.5935 -34.5935 -34.5928 -34.5928 -5.2820 -5.2820 -5.2747 -5.2747 -4.4362 -4.4362 -4.4238 -4.4238 -4.4128 -4.4128 3.3322 3.3322 6.3686 6.3686 7.1730 7.1730 7.4378 7.4378 8.0826 8.0826 8.5312 8.5312 9.1175 9.1175 10.2235 10.2235 12.5811 12.5811 13.7272 13.7272 15.0233 15.0233 k = 0.2163 0.1249 0.3533 ( 8098 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7936 -35.7936 -35.7877 -35.7877 -34.5935 -34.5935 -34.5929 -34.5929 -5.2823 -5.2823 -5.2751 -5.2751 -4.4367 -4.4367 -4.4241 -4.4241 -4.4132 -4.4132 3.2589 3.2589 6.4449 6.4449 7.1784 7.1784 7.4532 7.4532 8.0773 8.0773 8.5340 8.5340 9.1392 9.1392 10.2959 10.2959 12.6959 12.6959 13.7679 13.7679 14.8922 14.8922 k = 0.2091 0.1207 0.3415 ( 8102 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7937 -35.7937 -35.7875 -35.7875 -34.5935 -34.5935 -34.5929 -34.5929 -5.2826 -5.2826 -5.2756 -5.2756 -4.4373 -4.4373 -4.4244 -4.4244 -4.4137 -4.4137 3.1866 3.1866 6.5209 6.5209 7.1842 7.1842 7.4713 7.4713 8.0723 8.0723 8.5342 8.5342 9.1660 9.1660 10.3697 10.3697 12.8085 12.8085 13.8085 13.8085 14.7660 14.7660 k = 0.2019 0.1166 0.3297 ( 8102 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7938 -35.7938 -35.7873 -35.7873 -34.5935 -34.5935 -34.5929 -34.5929 -5.2830 -5.2830 -5.2761 -5.2761 -4.4380 -4.4380 -4.4247 -4.4247 -4.4142 -4.4142 3.1158 3.1158 6.5957 6.5957 7.1904 7.1904 7.4923 7.4923 8.0677 8.0677 8.5321 8.5321 9.1980 9.1980 10.4445 10.4445 12.9178 12.9178 13.8483 13.8483 14.6471 14.6471 k = 0.1947 0.1124 0.3180 ( 8102 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7940 -35.7940 -35.7872 -35.7872 -34.5935 -34.5935 -34.5929 -34.5929 -5.2833 -5.2833 -5.2766 -5.2766 -4.4386 -4.4386 -4.4250 -4.4250 -4.4148 -4.4148 3.0466 3.0466 6.6684 6.6684 7.1968 7.1968 7.5166 7.5166 8.0636 8.0636 8.5282 8.5282 9.2353 9.2353 10.5201 10.5201 13.0224 13.0224 13.8857 13.8857 14.5393 14.5393 k = 0.1875 0.1083 0.3062 ( 8110 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7941 -35.7941 -35.7870 -35.7870 -34.5935 -34.5935 -34.5929 -34.5929 -5.2836 -5.2836 -5.2772 -5.2772 -4.4393 -4.4393 -4.4253 -4.4253 -4.4154 -4.4154 2.9791 2.9791 6.7380 6.7380 7.2034 7.2034 7.5443 7.5443 8.0601 8.0601 8.5227 8.5227 9.2781 9.2781 10.5965 10.5965 13.1197 13.1197 13.9172 13.9172 14.4486 14.4486 k = 0.1803 0.1041 0.2944 ( 8106 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7942 -35.7942 -35.7868 -35.7868 -34.5935 -34.5935 -34.5929 -34.5929 -5.2840 -5.2840 -5.2778 -5.2778 -4.4399 -4.4399 -4.4256 -4.4256 -4.4160 -4.4160 2.9135 2.9135 6.8037 6.8037 7.2100 7.2100 7.5759 7.5759 8.0573 8.0573 8.5161 8.5161 9.3263 9.3263 10.6734 10.6734 13.2058 13.2058 13.9377 13.9377 14.3843 14.3843 k = 0.1731 0.0999 0.2826 ( 8096 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7943 -35.7943 -35.7867 -35.7867 -34.5935 -34.5935 -34.5930 -34.5930 -5.2843 -5.2843 -5.2784 -5.2784 -4.4406 -4.4406 -4.4259 -4.4259 -4.4167 -4.4167 2.8499 2.8499 6.8647 6.8647 7.2165 7.2165 7.6112 7.6112 8.0552 8.0552 8.5088 8.5088 9.3802 9.3802 10.7506 10.7506 13.2743 13.2743 13.9440 13.9440 14.3560 14.3560 k = 0.1659 0.0958 0.2709 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7944 -35.7944 -35.7865 -35.7865 -34.5935 -34.5935 -34.5930 -34.5930 -5.2846 -5.2846 -5.2790 -5.2790 -4.4413 -4.4413 -4.4261 -4.4261 -4.4175 -4.4175 2.7884 2.7884 6.9205 6.9205 7.2228 7.2228 7.6503 7.6503 8.0539 8.0539 8.5012 8.5012 9.4398 9.4398 10.8278 10.8278 13.3161 13.3161 13.9438 13.9438 14.3652 14.3652 k = 0.1587 0.0916 0.2591 ( 8100 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7945 -35.7945 -35.7863 -35.7863 -34.5935 -34.5935 -34.5930 -34.5930 -5.2850 -5.2850 -5.2796 -5.2796 -4.4420 -4.4420 -4.4264 -4.4264 -4.4182 -4.4182 2.7292 2.7292 6.9707 6.9707 7.2289 7.2289 7.6927 7.6927 8.0534 8.0534 8.4936 8.4936 9.5054 9.5054 10.9048 10.9048 13.3226 13.3226 13.9538 13.9538 14.4032 14.4032 k = 0.1514 0.0874 0.2473 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7946 -35.7946 -35.7862 -35.7862 -34.5935 -34.5935 -34.5930 -34.5930 -5.2853 -5.2853 -5.2803 -5.2803 -4.4427 -4.4427 -4.4267 -4.4267 -4.4190 -4.4190 2.6722 2.6722 7.0152 7.0152 7.2346 7.2346 7.7378 7.7378 8.0540 8.0540 8.4863 8.4863 9.5770 9.5770 10.9814 10.9814 13.2929 13.2929 13.9846 13.9846 14.4603 14.4603 k = 0.1442 0.0833 0.2355 ( 8100 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7947 -35.7947 -35.7860 -35.7860 -34.5935 -34.5935 -34.5930 -34.5930 -5.2856 -5.2856 -5.2809 -5.2809 -4.4434 -4.4434 -4.4269 -4.4269 -4.4197 -4.4197 2.6176 2.6176 7.0544 7.0544 7.2400 7.2400 7.7846 7.7846 8.0558 8.0558 8.4796 8.4796 9.6549 9.6549 11.0572 11.0572 13.2353 13.2353 14.0339 14.0339 14.5294 14.5294 k = 0.1370 0.0791 0.2238 ( 8100 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7948 -35.7948 -35.7859 -35.7859 -34.5935 -34.5935 -34.5931 -34.5931 -5.2859 -5.2859 -5.2816 -5.2816 -4.4441 -4.4441 -4.4272 -4.4272 -4.4205 -4.4205 2.5654 2.5654 7.0885 7.0885 7.2450 7.2450 7.8319 7.8319 8.0592 8.0592 8.4736 8.4736 9.7391 9.7391 11.1319 11.1319 13.1603 13.1603 14.0943 14.0943 14.6055 14.6055 k = 0.1298 0.0749 0.2120 ( 8100 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7949 -35.7949 -35.7858 -35.7858 -34.5935 -34.5935 -34.5931 -34.5931 -5.2863 -5.2863 -5.2822 -5.2822 -4.4448 -4.4448 -4.4274 -4.4274 -4.4213 -4.4213 2.5157 2.5157 7.1180 7.1180 7.2496 7.2496 7.8781 7.8781 8.0648 8.0648 8.4686 8.4686 9.8296 9.8296 11.2052 11.2052 13.0762 13.0762 14.1590 14.1590 14.6811 14.6811 k = 0.1226 0.0708 0.2002 ( 8092 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7949 -35.7949 -35.7857 -35.7857 -34.5935 -34.5935 -34.5931 -34.5931 -5.2866 -5.2866 -5.2829 -5.2829 -4.4454 -4.4454 -4.4277 -4.4277 -4.4221 -4.4221 2.4685 2.4685 7.1434 7.1434 7.2537 7.2537 7.9208 7.9208 8.0741 8.0741 8.4647 8.4647 9.9264 9.9264 11.2768 11.2768 12.9880 12.9880 14.2229 14.2229 14.7299 14.7299 k = 0.1154 0.0666 0.1884 ( 8084 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7950 -35.7950 -35.7855 -35.7855 -34.5935 -34.5935 -34.5931 -34.5931 -5.2869 -5.2869 -5.2835 -5.2835 -4.4461 -4.4461 -4.4279 -4.4279 -4.4228 -4.4228 2.4238 2.4238 7.1653 7.1653 7.2573 7.2573 7.9572 7.9572 8.0893 8.0893 8.4618 8.4618 10.0292 10.0292 11.3461 11.3461 12.8991 12.8991 14.2806 14.2806 14.7139 14.7139 k = 0.1082 0.0625 0.1766 ( 8080 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7951 -35.7951 -35.7854 -35.7854 -34.5935 -34.5935 -34.5932 -34.5932 -5.2871 -5.2871 -5.2841 -5.2841 -4.4467 -4.4467 -4.4281 -4.4281 -4.4236 -4.4236 2.3817 2.3817 7.1841 7.1841 7.2605 7.2605 7.9843 7.9843 8.1127 8.1127 8.4600 8.4600 10.1378 10.1378 11.4128 11.4128 12.8116 12.8116 14.3235 14.3235 14.6765 14.6765 k = 0.1010 0.0583 0.1649 ( 8084 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7951 -35.7951 -35.7853 -35.7853 -34.5935 -34.5935 -34.5932 -34.5932 -5.2874 -5.2874 -5.2847 -5.2847 -4.4473 -4.4473 -4.4283 -4.4283 -4.4243 -4.4243 2.3422 2.3422 7.2001 7.2001 7.2633 7.2633 8.0020 8.0020 8.1438 8.1438 8.4592 8.4592 10.2517 10.2517 11.4766 11.4766 12.7270 12.7270 14.3367 14.3367 14.6546 14.6546 k = 0.0938 0.0541 0.1531 ( 8074 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7952 -35.7952 -35.7852 -35.7852 -34.5934 -34.5934 -34.5932 -34.5932 -5.2877 -5.2877 -5.2853 -5.2853 -4.4479 -4.4479 -4.4285 -4.4285 -4.4250 -4.4250 2.3054 2.3054 7.2139 7.2139 7.2657 7.2657 8.0131 8.0131 8.1797 8.1797 8.4594 8.4594 10.3704 10.3704 11.5368 11.5368 12.6467 12.6467 14.3076 14.3076 14.6649 14.6649 k = 0.0865 0.0500 0.1413 ( 8074 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7952 -35.7952 -35.7851 -35.7851 -34.5934 -34.5934 -34.5932 -34.5932 -5.2879 -5.2879 -5.2859 -5.2859 -4.4485 -4.4485 -4.4287 -4.4287 -4.4256 -4.4256 2.2712 2.2712 7.2255 7.2255 7.2677 7.2677 8.0201 8.0201 8.2172 8.2172 8.4603 8.4603 10.4930 10.4930 11.5933 11.5933 12.5718 12.5718 14.2427 14.2427 14.7016 14.7016 k = 0.0793 0.0458 0.1295 ( 8076 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7953 -35.7953 -35.7850 -35.7850 -34.5934 -34.5934 -34.5932 -34.5932 -5.2882 -5.2882 -5.2864 -5.2864 -4.4490 -4.4490 -4.4289 -4.4289 -4.4263 -4.4263 2.2396 2.2396 7.2354 7.2354 7.2693 7.2693 8.0249 8.0249 8.2545 8.2545 8.4620 8.4620 10.6187 10.6187 11.6458 11.6458 12.5032 12.5032 14.1556 14.1556 14.7514 14.7514 k = 0.0721 0.0416 0.1178 ( 8072 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7953 -35.7953 -35.7850 -35.7850 -34.5934 -34.5934 -34.5933 -34.5933 -5.2884 -5.2884 -5.2869 -5.2869 -4.4495 -4.4495 -4.4290 -4.4290 -4.4269 -4.4269 2.2108 2.2108 7.2437 7.2437 7.2707 7.2707 8.0284 8.0284 8.2904 8.2904 8.4642 8.4642 10.7460 10.7460 11.6942 11.6942 12.4419 12.4419 14.0542 14.0542 14.8065 14.8065 k = 0.0649 0.0375 0.1060 ( 8056 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7849 -35.7849 -34.5934 -34.5934 -34.5933 -34.5933 -5.2886 -5.2886 -5.2874 -5.2874 -4.4500 -4.4500 -4.4292 -4.4292 -4.4274 -4.4274 2.1847 2.1847 7.2506 7.2506 7.2717 7.2717 8.0310 8.0310 8.3243 8.3243 8.4668 8.4668 10.8733 10.8733 11.7389 11.7389 12.3888 12.3888 13.9428 13.9428 14.8635 14.8635 k = 0.0577 0.0333 0.0942 ( 8060 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7848 -35.7848 -34.5934 -34.5934 -34.5933 -34.5933 -5.2887 -5.2887 -5.2878 -5.2878 -4.4504 -4.4504 -4.4293 -4.4293 -4.4279 -4.4279 2.1612 2.1612 7.2564 7.2564 7.2725 7.2725 8.0331 8.0331 8.3557 8.3557 8.4695 8.4695 10.9980 10.9980 11.7812 11.7812 12.3445 12.3445 13.8236 13.8236 14.9207 14.9207 k = 0.0505 0.0291 0.0824 ( 8056 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7848 -35.7848 -34.5934 -34.5934 -34.5933 -34.5933 -5.2889 -5.2889 -5.2882 -5.2882 -4.4508 -4.4508 -4.4294 -4.4294 -4.4283 -4.4283 2.1406 2.1406 7.2611 7.2611 7.2731 7.2731 8.0347 8.0347 8.3843 8.3843 8.4723 8.4723 11.1167 11.1167 11.8235 11.8235 12.3094 12.3094 13.6985 13.6985 14.9774 14.9774 k = 0.0433 0.0250 0.0707 ( 8064 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7847 -35.7847 -34.5934 -34.5934 -34.5933 -34.5933 -5.2890 -5.2890 -5.2885 -5.2885 -4.4511 -4.4511 -4.4295 -4.4295 -4.4287 -4.4287 2.1226 2.1226 7.2650 7.2650 7.2736 7.2736 8.0360 8.0360 8.4097 8.4097 8.4750 8.4750 11.2245 11.2245 11.8697 11.8697 12.2832 12.2832 13.5695 13.5695 15.0331 15.0331 k = 0.0361 0.0208 0.0589 ( 8048 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7847 -35.7847 -34.5934 -34.5934 -34.5933 -34.5933 -5.2892 -5.2892 -5.2888 -5.2888 -4.4514 -4.4514 -4.4296 -4.4296 -4.4290 -4.4290 2.1074 2.1074 7.2681 7.2681 7.2739 7.2739 8.0370 8.0370 8.4317 8.4317 8.4775 8.4775 11.3159 11.3159 11.9250 11.9250 12.2648 12.2648 13.4387 13.4387 15.0870 15.0870 k = 0.0288 0.0167 0.0471 ( 8040 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2893 -5.2893 -5.2890 -5.2890 -4.4517 -4.4517 -4.4297 -4.4297 -4.4293 -4.4293 2.0950 2.0950 7.2704 7.2704 7.2741 7.2741 8.0378 8.0378 8.4502 8.4502 8.4796 8.4796 11.3863 11.3863 11.9927 11.9927 12.2530 12.2530 13.3094 13.3094 15.1379 15.1379 k = 0.0216 0.0125 0.0353 ( 8032 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2893 -5.2893 -5.2892 -5.2892 -4.4519 -4.4519 -4.4297 -4.4297 -4.4295 -4.4295 2.0853 2.0853 7.2722 7.2722 7.2742 7.2742 8.0384 8.0384 8.4647 8.4647 8.4814 8.4814 11.4350 11.4350 12.0711 12.0711 12.2459 12.2459 13.1863 13.1863 15.1837 15.1837 k = 0.0144 0.0083 0.0236 ( 8020 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2894 -5.2894 -5.2893 -5.2893 -4.4520 -4.4520 -4.4298 -4.4298 -4.4297 -4.4297 2.0784 2.0784 7.2734 7.2734 7.2743 7.2743 8.0389 8.0389 8.4753 8.4753 8.4827 8.4827 11.4649 11.4649 12.1508 12.1508 12.2421 12.2421 13.0779 13.0779 15.2211 15.2211 k = 0.0072 0.0042 0.0118 ( 8000 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2894 -5.2894 -5.2894 -5.2894 -4.4521 -4.4521 -4.4298 -4.4298 -4.4298 -4.4298 2.0742 2.0742 7.2742 7.2742 7.2744 7.2744 8.0391 8.0391 8.4817 8.4817 8.4835 8.4835 11.4807 11.4807 12.2145 12.2145 12.2403 12.2403 12.9985 12.9985 15.2462 15.2462 k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2894 -5.2894 -5.2894 -5.2894 -4.4521 -4.4521 -4.4298 -4.4298 -4.4298 -4.4298 2.0728 2.0728 7.2744 7.2744 7.2744 7.2744 8.0392 8.0392 8.4838 8.4838 8.4838 8.4838 11.4855 11.4855 12.2398 12.2398 12.2398 12.2398 12.9683 12.9683 15.2551 15.2551 k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2894 -5.2894 -5.2894 -5.2894 -4.4521 -4.4521 -4.4298 -4.4298 -4.4298 -4.4298 2.0728 2.0728 7.2744 7.2744 7.2744 7.2744 8.0392 8.0392 8.4838 8.4838 8.4838 8.4838 11.4855 11.4855 12.2398 12.2398 12.2398 12.2398 12.9683 12.9683 15.2551 15.2551 k = 0.0119 0.0069 0.0049 ( 8006 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2894 -5.2894 -5.2894 -5.2894 -4.4521 -4.4521 -4.4298 -4.4298 -4.4298 -4.4298 2.0742 2.0742 7.2742 7.2742 7.2743 7.2743 8.0391 8.0391 8.4818 8.4818 8.4833 8.4833 11.4805 11.4805 12.2133 12.2133 12.2412 12.2412 12.9991 12.9991 15.2460 15.2460 k = 0.0238 0.0137 0.0097 ( 8018 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2894 -5.2894 -5.2893 -5.2893 -4.4520 -4.4520 -4.4298 -4.4298 -4.4297 -4.4297 2.0785 2.0785 7.2735 7.2735 7.2742 7.2742 8.0388 8.0388 8.4760 8.4760 8.4819 8.4819 11.4639 11.4639 12.1475 12.1475 12.2453 12.2453 13.0791 13.0791 15.2203 15.2203 k = 0.0357 0.0206 0.0146 ( 8030 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2893 -5.2893 -5.2892 -5.2892 -4.4519 -4.4519 -4.4298 -4.4298 -4.4295 -4.4295 2.0856 2.0856 7.2725 7.2725 7.2739 7.2739 8.0384 8.0384 8.4663 8.4663 8.4795 8.4795 11.4305 11.4305 12.0689 12.0689 12.2521 12.2521 13.1870 13.1870 15.1819 15.1819 k = 0.0476 0.0275 0.0194 ( 8036 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7955 -35.7955 -35.7846 -35.7846 -34.5934 -34.5934 -34.5934 -34.5934 -5.2893 -5.2893 -5.2890 -5.2890 -4.4517 -4.4517 -4.4297 -4.4297 -4.4293 -4.4293 2.0955 2.0955 7.2709 7.2709 7.2735 7.2735 8.0377 8.0377 8.4528 8.4528 8.4763 8.4763 11.3737 11.3737 11.9991 11.9991 12.2615 12.2615 13.3075 13.3075 15.1349 15.1349 k = 0.0595 0.0344 0.0243 ( 8045 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7847 -35.7847 -34.5934 -34.5934 -34.5933 -34.5933 -5.2892 -5.2892 -5.2888 -5.2888 -4.4514 -4.4514 -4.4296 -4.4296 -4.4290 -4.4290 2.1082 2.1082 7.2689 7.2689 7.2727 7.2727 8.0369 8.0369 8.4359 8.4359 8.4723 8.4723 11.2888 11.2888 11.9507 11.9507 12.2733 12.2733 13.4321 13.4321 15.0830 15.0830 k = 0.0714 0.0412 0.0292 ( 8051 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7847 -35.7847 -34.5934 -34.5934 -34.5933 -34.5933 -5.2890 -5.2890 -5.2885 -5.2885 -4.4511 -4.4511 -4.4296 -4.4296 -4.4286 -4.4286 2.1237 2.1237 7.2663 7.2663 7.2716 7.2716 8.0358 8.0358 8.4156 8.4156 8.4679 8.4679 11.1779 11.1779 11.9261 11.9261 12.2876 12.2876 13.5560 13.5560 15.0289 15.0289 k = 0.0833 0.0481 0.0340 ( 8057 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7848 -35.7848 -34.5934 -34.5934 -34.5933 -34.5933 -5.2889 -5.2889 -5.2881 -5.2881 -4.4508 -4.4508 -4.4295 -4.4295 -4.4282 -4.4282 2.1421 2.1421 7.2631 7.2631 7.2700 7.2700 8.0343 8.0343 8.3923 8.3923 8.4629 8.4629 11.0476 11.0476 11.9214 11.9214 12.3039 12.3039 13.6757 13.6757 14.9744 14.9744 k = 0.0952 0.0550 0.0389 ( 8060 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7954 -35.7954 -35.7848 -35.7848 -34.5934 -34.5934 -34.5933 -34.5933 -5.2887 -5.2887 -5.2877 -5.2877 -4.4504 -4.4504 -4.4294 -4.4294 -4.4278 -4.4278 2.1633 2.1633 7.2592 7.2592 7.2677 7.2677 8.0326 8.0326 8.3661 8.3661 8.4578 8.4578 10.9050 10.9050 11.9309 11.9309 12.3223 12.3223 13.7890 13.7890 14.9212 14.9212 k = 0.1071 0.0619 0.0437 ( 8066 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7953 -35.7953 -35.7849 -35.7849 -34.5934 -34.5934 -34.5933 -34.5933 -5.2886 -5.2886 -5.2873 -5.2873 -4.4500 -4.4500 -4.4292 -4.4292 -4.4272 -4.4272 2.1873 2.1873 7.2547 7.2547 7.2645 7.2645 8.0305 8.0305 8.3373 8.3373 8.4526 8.4526 10.7555 10.7555 11.9504 11.9504 12.3425 12.3425 13.8935 13.8935 14.8706 14.8706 k = 0.1190 0.0687 0.0486 ( 8063 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7953 -35.7953 -35.7850 -35.7850 -34.5934 -34.5934 -34.5933 -34.5933 -5.2884 -5.2884 -5.2868 -5.2868 -4.4495 -4.4495 -4.4291 -4.4291 -4.4267 -4.4267 2.2141 2.2141 7.2494 7.2494 7.2602 7.2602 8.0279 8.0279 8.3061 8.3061 8.4476 8.4476 10.6027 10.6027 11.9770 11.9770 12.3643 12.3643 13.9868 13.9868 14.8235 14.8235 k = 0.1310 0.0756 0.0535 ( 8063 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7953 -35.7953 -35.7850 -35.7850 -34.5934 -34.5934 -34.5932 -34.5932 -5.2882 -5.2882 -5.2863 -5.2863 -4.4490 -4.4490 -4.4289 -4.4289 -4.4260 -4.4260 2.2438 2.2438 7.2433 7.2433 7.2544 7.2544 8.0247 8.0247 8.2728 8.2728 8.4429 8.4429 10.4494 10.4494 12.0087 12.0087 12.3875 12.3875 14.0666 14.0666 14.7813 14.7813 k = 0.1429 0.0825 0.0583 ( 8051 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7952 -35.7952 -35.7851 -35.7851 -34.5934 -34.5934 -34.5932 -34.5932 -5.2879 -5.2879 -5.2857 -5.2857 -4.4485 -4.4485 -4.4288 -4.4288 -4.4254 -4.4254 2.2762 2.2762 7.2364 7.2364 7.2469 7.2469 8.0209 8.0209 8.2377 8.2377 8.4388 8.4388 10.2975 10.2975 12.0441 12.0441 12.4118 12.4118 14.1298 14.1298 14.7449 14.7449 k = 0.1548 0.0894 0.0632 ( 8057 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7952 -35.7952 -35.7852 -35.7852 -34.5934 -34.5934 -34.5932 -34.5932 -5.2877 -5.2877 -5.2851 -5.2851 -4.4479 -4.4479 -4.4286 -4.4286 -4.4246 -4.4246 2.3114 2.3114 7.2286 7.2286 7.2372 7.2372 8.0162 8.0162 8.2010 8.2010 8.4354 8.4354 10.1487 10.1487 12.0820 12.0820 12.4371 12.4371 14.1740 14.1740 14.7145 14.7145 k = 0.1667 0.0962 0.0680 ( 8045 PWs) bands (ev): -81.2391 -81.2391 -48.1045 -48.1045 -35.7951 -35.7951 -35.7853 -35.7853 -34.5934 -34.5934 -34.5932 -34.5932 -5.2874 -5.2874 -5.2845 -5.2845 -4.4473 -4.4473 -4.4283 -4.4283 -4.4239 -4.4239 2.3494 2.3494 7.2199 7.2199 7.2248 7.2248 8.0103 8.0103 8.1632 8.1632 8.4328 8.4328 10.0044 10.0044 12.1217 12.1217 12.4631 12.4631 14.1979 14.1979 14.6892 14.6892 k = 0.1786 0.1031 0.0729 ( 8063 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7950 -35.7950 -35.7854 -35.7854 -34.5935 -34.5935 -34.5932 -34.5932 -5.2872 -5.2872 -5.2839 -5.2839 -4.4467 -4.4467 -4.4281 -4.4281 -4.4231 -4.4231 2.3902 2.3902 7.2091 7.2091 7.2103 7.2103 8.0023 8.0023 8.1251 8.1251 8.4312 8.4312 9.8658 9.8658 12.1625 12.1625 12.4897 12.4897 14.2027 14.2027 14.6662 14.6662 k = 0.1905 0.1100 0.0778 ( 8075 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7950 -35.7950 -35.7856 -35.7856 -34.5935 -34.5935 -34.5931 -34.5931 -5.2869 -5.2869 -5.2832 -5.2832 -4.4461 -4.4461 -4.4279 -4.4279 -4.4223 -4.4223 2.4337 2.4337 7.1894 7.1894 7.1999 7.1999 7.9907 7.9907 8.0885 8.0885 8.4307 8.4307 9.7343 9.7343 12.2036 12.2036 12.5166 12.5166 14.1916 14.1916 14.6422 14.6422 k = 0.2024 0.1168 0.0826 ( 8075 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7949 -35.7949 -35.7857 -35.7857 -34.5935 -34.5935 -34.5931 -34.5931 -5.2866 -5.2866 -5.2825 -5.2825 -4.4455 -4.4455 -4.4276 -4.4276 -4.4214 -4.4214 2.4800 2.4800 7.1650 7.1650 7.1886 7.1886 7.9719 7.9719 8.0570 8.0570 8.4314 8.4314 9.6109 9.6109 12.2446 12.2446 12.5438 12.5438 14.1684 14.1684 14.6151 14.6151 k = 0.2143 0.1237 0.0875 ( 8081 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7948 -35.7948 -35.7858 -35.7858 -34.5935 -34.5935 -34.5931 -34.5931 -5.2863 -5.2863 -5.2818 -5.2818 -4.4449 -4.4449 -4.4273 -4.4273 -4.4206 -4.4206 2.5290 2.5290 7.1351 7.1351 7.1766 7.1766 7.9428 7.9428 8.0343 8.0343 8.4333 8.4333 9.4967 9.4967 12.2850 12.2850 12.5710 12.5710 14.1369 14.1369 14.5844 14.5844 k = 0.2262 0.1306 0.0923 ( 8078 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7947 -35.7947 -35.7860 -35.7860 -34.5935 -34.5935 -34.5930 -34.5930 -5.2860 -5.2860 -5.2810 -5.2810 -4.4443 -4.4443 -4.4270 -4.4270 -4.4197 -4.4197 2.5808 2.5808 7.0985 7.0985 7.1638 7.1638 7.9044 7.9044 8.0196 8.0196 8.4365 8.4365 9.3925 9.3925 12.3243 12.3243 12.5981 12.5981 14.0998 14.0998 14.5511 14.5511 k = 0.2381 0.1375 0.0972 ( 8078 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7946 -35.7946 -35.7861 -35.7861 -34.5935 -34.5935 -34.5930 -34.5930 -5.2857 -5.2857 -5.2803 -5.2803 -4.4437 -4.4437 -4.4267 -4.4267 -4.4188 -4.4188 2.6352 2.6352 7.0546 7.0546 7.1504 7.1504 7.8609 7.8609 8.0095 8.0095 8.4409 8.4409 9.2988 9.2988 12.3619 12.3619 12.6250 12.6250 14.0591 14.0591 14.5165 14.5165 k = 0.2500 0.1443 0.1021 ( 8081 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7945 -35.7945 -35.7863 -35.7863 -34.5935 -34.5935 -34.5930 -34.5930 -5.2855 -5.2855 -5.2796 -5.2796 -4.4431 -4.4431 -4.4263 -4.4263 -4.4179 -4.4179 2.6923 2.6923 7.0023 7.0023 7.1365 7.1365 7.8155 7.8155 8.0018 8.0018 8.4464 8.4464 9.2159 9.2159 12.3976 12.3976 12.6516 12.6516 14.0164 14.0164 14.4819 14.4819 k = 0.2619 0.1512 0.1069 ( 8081 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7944 -35.7944 -35.7864 -35.7864 -34.5935 -34.5935 -34.5930 -34.5930 -5.2852 -5.2852 -5.2788 -5.2788 -4.4425 -4.4425 -4.4259 -4.4259 -4.4170 -4.4170 2.7520 2.7520 6.9412 6.9412 7.1222 7.1222 7.7700 7.7700 7.9954 7.9954 8.4531 8.4531 9.1438 9.1438 12.4309 12.4309 12.6778 12.6778 13.9726 13.9726 14.4480 14.4480 k = 0.2738 0.1581 0.1118 ( 8072 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7943 -35.7943 -35.7866 -35.7866 -34.5935 -34.5935 -34.5929 -34.5929 -5.2849 -5.2849 -5.2781 -5.2781 -4.4420 -4.4420 -4.4255 -4.4255 -4.4161 -4.4161 2.8143 2.8143 6.8708 6.8708 7.1076 7.1076 7.7257 7.7257 7.9900 7.9900 8.4608 8.4608 9.0820 9.0820 12.4615 12.4615 12.7035 12.7035 13.9289 13.9289 14.4157 14.4157 k = 0.2857 0.1650 0.1166 ( 8075 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7942 -35.7942 -35.7868 -35.7868 -34.5936 -34.5936 -34.5929 -34.5929 -5.2846 -5.2846 -5.2774 -5.2774 -4.4415 -4.4415 -4.4251 -4.4251 -4.4152 -4.4152 2.8791 2.8791 6.7915 6.7915 7.0928 7.0928 7.6835 7.6835 7.9854 7.9854 8.4695 8.4695 9.0299 9.0299 12.4890 12.4890 12.7287 12.7287 13.8860 13.8860 14.3571 14.3571 k = 0.2976 0.1718 0.1215 ( 8081 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7941 -35.7941 -35.7869 -35.7869 -34.5936 -34.5936 -34.5929 -34.5929 -5.2843 -5.2843 -5.2767 -5.2767 -4.4410 -4.4410 -4.4247 -4.4247 -4.4144 -4.4144 2.9465 2.9465 6.7037 6.7037 7.0779 7.0779 7.6440 7.6440 7.9815 7.9815 8.4789 8.4789 8.9866 8.9866 12.5132 12.5132 12.7534 12.7534 13.8446 13.8446 14.2795 14.2795 k = 0.3095 0.1787 0.1264 ( 8075 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7939 -35.7939 -35.7871 -35.7871 -34.5936 -34.5936 -34.5928 -34.5928 -5.2840 -5.2840 -5.2760 -5.2760 -4.4405 -4.4405 -4.4243 -4.4243 -4.4135 -4.4135 3.0162 3.0162 6.6084 6.6084 7.0631 7.0631 7.6072 7.6072 7.9783 7.9783 8.4890 8.4890 8.9510 8.9510 12.5339 12.5339 12.7775 12.7775 13.8054 13.8054 14.2039 14.2039 k = 0.3214 0.1856 0.1312 ( 8063 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7938 -35.7938 -35.7873 -35.7873 -34.5936 -34.5936 -34.5928 -34.5928 -5.2837 -5.2837 -5.2753 -5.2753 -4.4401 -4.4401 -4.4239 -4.4239 -4.4127 -4.4127 3.0883 3.0883 6.5068 6.5068 7.0486 7.0486 7.5734 7.5734 7.9758 7.9758 8.4997 8.4997 8.9223 8.9223 12.5509 12.5509 12.8011 12.8011 13.7690 13.7690 14.1305 14.1305 k = 0.3333 0.1925 0.1361 ( 8057 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7936 -35.7936 -35.7875 -35.7875 -34.5936 -34.5936 -34.5928 -34.5928 -5.2835 -5.2835 -5.2746 -5.2746 -4.4397 -4.4397 -4.4234 -4.4234 -4.4119 -4.4119 3.1626 3.1626 6.4001 6.4001 7.0343 7.0343 7.5424 7.5424 7.9738 7.9738 8.5106 8.5106 8.8995 8.8995 12.5641 12.5641 12.8241 12.8241 13.7357 13.7357 14.0596 14.0596 k = 0.3452 0.1993 0.1409 ( 8066 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7935 -35.7935 -35.7877 -35.7877 -34.5936 -34.5936 -34.5928 -34.5928 -5.2832 -5.2832 -5.2740 -5.2740 -4.4393 -4.4393 -4.4230 -4.4230 -4.4111 -4.4111 3.2390 3.2390 6.2895 6.2895 7.0205 7.0205 7.5141 7.5141 7.9723 7.9723 8.5218 8.5218 8.8816 8.8816 12.5737 12.5737 12.8465 12.8465 13.7058 13.7058 13.9914 13.9914 k = 0.3571 0.2062 0.1458 ( 8072 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7933 -35.7933 -35.7879 -35.7879 -34.5936 -34.5936 -34.5927 -34.5927 -5.2830 -5.2830 -5.2734 -5.2734 -4.4390 -4.4390 -4.4226 -4.4226 -4.4104 -4.4104 3.3173 3.3173 6.1762 6.1762 7.0073 7.0073 7.4882 7.4882 7.9713 7.9713 8.5330 8.5330 8.8679 8.8679 12.5797 12.5797 12.8684 12.8684 13.6795 13.6795 13.9260 13.9260 k = 0.3690 0.2131 0.1507 ( 8084 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7931 -35.7931 -35.7881 -35.7881 -34.5936 -34.5936 -34.5927 -34.5927 -5.2828 -5.2828 -5.2729 -5.2729 -4.4387 -4.4387 -4.4222 -4.4222 -4.4097 -4.4097 3.3973 3.3973 6.0614 6.0614 6.9947 6.9947 7.4647 7.4647 7.9706 7.9706 8.5441 8.5441 8.8576 8.8576 12.5825 12.5825 12.8897 12.8897 13.6567 13.6567 13.8638 13.8638 k = 0.3810 0.2199 0.1555 ( 8078 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7930 -35.7930 -35.7883 -35.7883 -34.5936 -34.5936 -34.5927 -34.5927 -5.2826 -5.2826 -5.2723 -5.2723 -4.4384 -4.4384 -4.4218 -4.4218 -4.4091 -4.4091 3.4787 3.4787 5.9462 5.9462 6.9829 6.9829 7.4435 7.4435 7.9703 7.9703 8.5549 8.5549 8.8501 8.8501 12.5825 12.5825 12.9105 12.9105 13.6375 13.6375 13.8048 13.8048 k = 0.3929 0.2268 0.1604 ( 8084 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7928 -35.7928 -35.7885 -35.7885 -34.5936 -34.5936 -34.5927 -34.5927 -5.2824 -5.2824 -5.2719 -5.2719 -4.4381 -4.4381 -4.4214 -4.4214 -4.4085 -4.4085 3.5611 3.5611 5.8315 5.8315 6.9719 6.9719 7.4244 7.4244 7.9701 7.9701 8.5652 8.5652 8.8448 8.8448 12.5802 12.5802 12.9306 12.9306 13.6216 13.6216 13.7493 13.7493 k = 0.4048 0.2337 0.1652 ( 8087 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7926 -35.7926 -35.7888 -35.7888 -34.5937 -34.5937 -34.5927 -34.5927 -5.2822 -5.2822 -5.2714 -5.2714 -4.4379 -4.4379 -4.4211 -4.4211 -4.4079 -4.4079 3.6439 3.6439 5.7186 5.7186 6.9619 6.9619 7.4073 7.4073 7.9702 7.9702 8.5749 8.5749 8.8414 8.8414 12.5761 12.5761 12.9502 12.9502 13.6086 13.6086 13.6977 13.6977 k = 0.4167 0.2406 0.1701 ( 8087 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7924 -35.7924 -35.7890 -35.7890 -34.5937 -34.5937 -34.5926 -34.5926 -5.2820 -5.2820 -5.2710 -5.2710 -4.4377 -4.4377 -4.4208 -4.4208 -4.4075 -4.4075 3.7266 3.7266 5.6085 5.6085 6.9529 6.9529 7.3924 7.3924 7.9703 7.9703 8.5838 8.5838 8.8392 8.8392 12.5708 12.5708 12.9690 12.9690 13.5983 13.5983 13.6501 13.6501 k = 0.4286 0.2474 0.1750 ( 8092 PWs) bands (ev): -81.2391 -81.2391 -48.1046 -48.1046 -35.7923 -35.7923 -35.7892 -35.7892 -34.5937 -34.5937 -34.5926 -34.5926 -5.2819 -5.2819 -5.2707 -5.2707 -4.4376 -4.4376 -4.4205 -4.4205 -4.4070 -4.4070 3.8079 3.8079 5.5028 5.5028 6.9449 6.9449 7.3794 7.3794 7.9706 7.9706 8.5919 8.5919 8.8381 8.8381 12.5649 12.5649 12.9869 12.9869 13.5902 13.5902 13.6069 13.6069 k = 0.4405 0.2543 0.1798 ( 8104 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7921 -35.7921 -35.7894 -35.7894 -34.5937 -34.5937 -34.5926 -34.5926 -5.2818 -5.2818 -5.2704 -5.2704 -4.4374 -4.4374 -4.4203 -4.4203 -4.4067 -4.4067 3.8863 3.8863 5.4032 5.4032 6.9381 6.9381 7.3684 7.3684 7.9708 7.9708 8.5989 8.5989 8.8376 8.8376 12.5588 12.5588 13.0035 13.0035 13.5686 13.5686 13.5840 13.5840 k = 0.4524 0.2612 0.1847 ( 8098 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7919 -35.7919 -35.7895 -35.7895 -34.5937 -34.5937 -34.5926 -34.5926 -5.2817 -5.2817 -5.2702 -5.2702 -4.4373 -4.4373 -4.4201 -4.4201 -4.4064 -4.4064 3.9597 3.9597 5.3122 5.3122 6.9325 6.9325 7.3595 7.3595 7.9711 7.9711 8.6048 8.6048 8.8375 8.8375 12.5532 12.5532 13.0185 13.0185 13.5356 13.5356 13.5795 13.5795 k = 0.4643 0.2681 0.1895 ( 8098 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7918 -35.7918 -35.7897 -35.7897 -34.5937 -34.5937 -34.5926 -34.5926 -5.2816 -5.2816 -5.2700 -5.2700 -4.4372 -4.4372 -4.4199 -4.4199 -4.4061 -4.4061 4.0248 4.0248 5.2332 5.2332 6.9281 6.9281 7.3525 7.3525 7.9713 7.9713 8.6095 8.6095 8.8377 8.8377 12.5483 12.5483 13.0313 13.0313 13.5088 13.5088 13.5762 13.5762 k = 0.4762 0.2749 0.1944 ( 8086 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7898 -35.7898 -34.5937 -34.5937 -34.5926 -34.5926 -5.2816 -5.2816 -5.2698 -5.2698 -4.4372 -4.4372 -4.4198 -4.4198 -4.4060 -4.4060 4.0774 4.0774 5.1707 5.1707 6.9249 6.9249 7.3475 7.3475 7.9715 7.9715 8.6129 8.6129 8.8379 8.8379 12.5446 12.5446 13.0412 13.0412 13.4888 13.4888 13.5740 13.5740 k = 0.4881 0.2818 0.1993 ( 8080 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7899 -35.7899 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4059 -4.4059 4.1121 4.1121 5.1300 5.1300 6.9230 6.9230 7.3446 7.3446 7.9716 7.9716 8.6149 8.6149 8.8381 8.8381 12.5423 12.5423 13.0475 13.0475 13.4764 13.4764 13.5728 13.5728 k = 0.5000 0.2887 0.2041 ( 8086 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7899 -35.7899 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4058 -4.4058 4.1243 4.1243 5.1157 5.1157 6.9223 6.9223 7.3436 7.3436 7.9717 7.9717 8.6156 8.6156 8.8382 8.8382 12.5415 12.5415 13.0496 13.0496 13.4722 13.4722 13.5724 13.5724 k = 0.5000 0.2887 0.2041 ( 8086 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7899 -35.7899 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4058 -4.4058 4.1243 4.1243 5.1157 5.1157 6.9223 6.9223 7.3436 7.3436 7.9717 7.9717 8.6156 8.6156 8.8382 8.8382 12.5415 12.5415 13.0496 13.0496 13.4722 13.4722 13.5724 13.5724 k = 0.5042 0.2766 0.2109 ( 8080 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7899 -35.7899 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4058 -4.4058 4.1244 4.1244 5.1173 5.1173 6.9229 6.9229 7.3440 7.3440 7.9717 7.9717 8.6155 8.6155 8.8379 8.8379 12.5217 12.5217 13.0163 13.0163 13.4805 13.4805 13.5961 13.5961 k = 0.5083 0.2646 0.2177 ( 8077 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4059 -4.4059 4.1248 4.1248 5.1221 5.1221 6.9245 6.9245 7.3453 7.3453 7.9716 7.9716 8.6153 8.6153 8.8369 8.8369 12.4657 12.4657 12.9319 12.9319 13.4970 13.4970 13.6589 13.6589 k = 0.5125 0.2526 0.2245 ( 8093 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2814 -5.2814 -5.2698 -5.2698 -4.4370 -4.4370 -4.4197 -4.4197 -4.4060 -4.4060 4.1254 4.1254 5.1301 5.1301 6.9273 6.9273 7.3475 7.3475 7.9714 7.9714 8.6150 8.6150 8.8354 8.8354 12.3813 12.3813 12.8207 12.8207 13.5110 13.5110 13.7470 13.7470 k = 0.5167 0.2406 0.2313 ( 8099 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2814 -5.2814 -5.2698 -5.2698 -4.4368 -4.4368 -4.4197 -4.4197 -4.4061 -4.4061 4.1262 4.1262 5.1413 5.1413 6.9312 6.9312 7.3504 7.3504 7.9713 7.9713 8.6144 8.6144 8.8333 8.8333 12.2759 12.2759 12.6979 12.6979 13.5178 13.5178 13.8514 13.8514 k = 0.5208 0.2285 0.2381 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2813 -5.2813 -5.2699 -5.2699 -4.4367 -4.4367 -4.4198 -4.4198 -4.4063 -4.4063 4.1272 4.1272 5.1556 5.1556 6.9362 6.9362 7.3543 7.3543 7.9711 7.9711 8.6136 8.6136 8.8308 8.8308 12.1555 12.1555 12.5712 12.5712 13.5167 13.5167 13.9673 13.9673 k = 0.5250 0.2165 0.2449 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5936 -34.5936 -34.5926 -34.5926 -5.2812 -5.2812 -5.2700 -5.2700 -4.4365 -4.4365 -4.4198 -4.4198 -4.4065 -4.4065 4.1285 4.1285 5.1731 5.1731 6.9422 6.9422 7.3588 7.3588 7.9709 7.9709 8.6125 8.6125 8.8278 8.8278 12.0242 12.0242 12.4447 12.4447 13.5086 13.5086 14.0916 14.0916 k = 0.5292 0.2045 0.2518 ( 8109 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5936 -34.5936 -34.5926 -34.5926 -5.2811 -5.2811 -5.2701 -5.2701 -4.4362 -4.4362 -4.4198 -4.4198 -4.4068 -4.4068 4.1299 4.1299 5.1936 5.1936 6.9493 6.9493 7.3641 7.3641 7.9708 7.9708 8.6110 8.6110 8.8246 8.8246 11.8849 11.8849 12.3204 12.3204 13.4947 13.4947 14.2224 14.2224 k = 0.5333 0.1925 0.2586 ( 8113 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5936 -34.5936 -34.5926 -34.5926 -5.2810 -5.2810 -5.2702 -5.2702 -4.4360 -4.4360 -4.4198 -4.4198 -4.4070 -4.4070 4.1316 4.1316 5.2172 5.2172 6.9573 6.9573 7.3701 7.3701 7.9707 7.9707 8.6090 8.6090 8.8212 8.8212 11.7402 11.7402 12.1991 12.1991 13.4756 13.4756 14.3582 14.3582 k = 0.5375 0.1804 0.2654 ( 8109 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2809 -5.2809 -5.2703 -5.2703 -4.4357 -4.4357 -4.4199 -4.4199 -4.4073 -4.4073 4.1334 4.1334 5.2438 5.2438 6.9664 6.9664 7.3767 7.3767 7.9707 7.9707 8.6064 8.6064 8.8179 8.8179 11.5920 11.5920 12.0810 12.0810 13.4519 13.4519 14.4980 14.4980 k = 0.5417 0.1684 0.2722 ( 8115 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2808 -5.2808 -5.2705 -5.2705 -4.4354 -4.4354 -4.4199 -4.4199 -4.4076 -4.4076 4.1353 4.1353 5.2733 5.2733 6.9764 6.9764 7.3839 7.3839 7.9708 7.9708 8.6029 8.6029 8.8149 8.8149 11.4419 11.4419 11.9662 11.9662 13.4240 13.4240 14.6413 14.6413 k = 0.5458 0.1564 0.2790 ( 8127 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2806 -5.2806 -5.2706 -5.2706 -4.4351 -4.4351 -4.4199 -4.4199 -4.4080 -4.4080 4.1374 4.1374 5.3058 5.3058 6.9873 6.9873 7.3915 7.3915 7.9712 7.9712 8.5984 8.5984 8.8124 8.8124 11.2915 11.2915 11.8545 11.8545 13.3922 13.3922 14.7874 14.7874 k = 0.5500 0.1443 0.2858 ( 8125 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2805 -5.2805 -5.2708 -5.2708 -4.4348 -4.4348 -4.4200 -4.4200 -4.4083 -4.4083 4.1395 4.1395 5.3411 5.3411 6.9990 6.9990 7.3994 7.3994 7.9718 7.9718 8.5927 8.5927 8.8107 8.8107 11.1416 11.1416 11.7457 11.7457 13.3566 13.3566 14.9360 14.9360 k = 0.5542 0.1323 0.2926 ( 8127 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5936 -34.5936 -34.5926 -34.5926 -5.2803 -5.2803 -5.2710 -5.2710 -4.4344 -4.4344 -4.4200 -4.4200 -4.4087 -4.4087 4.1417 4.1417 5.3791 5.3791 7.0115 7.0115 7.4075 7.4075 7.9728 7.9728 8.5855 8.5855 8.8100 8.8100 10.9934 10.9934 11.6396 11.6396 13.3175 13.3175 15.0866 15.0866 k = 0.5583 0.1203 0.2994 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2802 -5.2802 -5.2712 -5.2712 -4.4341 -4.4341 -4.4201 -4.4201 -4.4090 -4.4090 4.1438 4.1438 5.4199 5.4199 7.0248 7.0248 7.4158 7.4158 7.9742 7.9742 8.5767 8.5767 8.8107 8.8107 10.8475 10.8475 11.5362 11.5362 13.2750 13.2750 15.2388 15.2388 k = 0.5625 0.1083 0.3062 ( 8136 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2800 -5.2800 -5.2713 -5.2713 -4.4338 -4.4338 -4.4201 -4.4201 -4.4094 -4.4094 4.1458 4.1458 5.4632 5.4632 7.0387 7.0387 7.4239 7.4239 7.9762 7.9762 8.5661 8.5661 8.8128 8.8128 10.7047 10.7047 11.4354 11.4354 13.2292 13.2292 15.3919 15.3919 k = 0.5667 0.0962 0.3130 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2798 -5.2798 -5.2715 -5.2715 -4.4334 -4.4334 -4.4202 -4.4202 -4.4097 -4.4097 4.1476 4.1476 5.5091 5.5091 7.0532 7.0532 7.4317 7.4317 7.9788 7.9788 8.5536 8.5536 8.8165 8.8165 10.5656 10.5656 11.3371 11.3371 13.1803 13.1803 15.5450 15.5450 k = 0.5708 0.0842 0.3198 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2796 -5.2796 -5.2717 -5.2717 -4.4331 -4.4331 -4.4202 -4.4202 -4.4101 -4.4101 4.1492 4.1492 5.5575 5.5575 7.0683 7.0683 7.4392 7.4392 7.9822 7.9822 8.5390 8.5390 8.8220 8.8220 10.4308 10.4308 11.2414 11.2414 13.1286 13.1286 15.6966 15.6966 k = 0.5750 0.0722 0.3266 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2795 -5.2795 -5.2719 -5.2719 -4.4328 -4.4328 -4.4203 -4.4203 -4.4104 -4.4104 4.1505 4.1505 5.6082 5.6082 7.0838 7.0838 7.4459 7.4459 7.9865 7.9865 8.5226 8.5226 8.8293 8.8293 10.3009 10.3009 11.1481 11.1481 13.0742 13.0742 15.8439 15.8439 k = 0.5792 0.0601 0.3334 ( 8117 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2793 -5.2793 -5.2722 -5.2722 -4.4325 -4.4325 -4.4203 -4.4203 -4.4107 -4.4107 4.1513 4.1513 5.6611 5.6611 7.0997 7.0997 7.4518 7.4518 7.9918 7.9918 8.5041 8.5041 8.8383 8.8383 10.1764 10.1764 11.0573 11.0573 13.0173 13.0173 15.9818 15.9818 k = 0.5833 0.0481 0.3402 ( 8111 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2791 -5.2791 -5.2724 -5.2724 -4.4323 -4.4323 -4.4204 -4.4204 -4.4109 -4.4109 4.1515 4.1515 5.7161 5.7161 7.1158 7.1158 7.4566 7.4566 7.9983 7.9983 8.4839 8.4839 8.8491 8.8491 10.0579 10.0579 10.9690 10.9690 12.9582 12.9582 16.1035 16.1035 k = 0.5875 0.0361 0.3470 ( 8117 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2789 -5.2789 -5.2726 -5.2726 -4.4320 -4.4320 -4.4205 -4.4205 -4.4111 -4.4111 4.1511 4.1511 5.7730 5.7730 7.1322 7.1322 7.4601 7.4601 8.0060 8.0060 8.4620 8.4620 8.8613 8.8613 9.9459 9.9459 10.8833 10.8833 12.8970 12.8970 16.2041 16.2041 k = 0.5917 0.0241 0.3538 ( 8109 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7901 -35.7901 -34.5935 -34.5935 -34.5926 -34.5926 -5.2788 -5.2788 -5.2728 -5.2728 -4.4318 -4.4318 -4.4206 -4.4206 -4.4113 -4.4113 4.1499 4.1499 5.8317 5.8317 7.1486 7.1486 7.4622 7.4622 8.0151 8.0151 8.4385 8.4385 8.8750 8.8750 9.8411 9.8411 10.8001 10.8001 12.8341 12.8341 16.2850 16.2850 k = 0.5958 0.0120 0.3606 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7901 -35.7901 -34.5935 -34.5935 -34.5925 -34.5925 -5.2786 -5.2786 -5.2730 -5.2730 -4.4317 -4.4317 -4.4207 -4.4207 -4.4114 -4.4114 4.1477 4.1477 5.8919 5.8919 7.1650 7.1650 7.4629 7.4629 8.0254 8.0254 8.4139 8.4139 8.8896 8.8896 9.7442 9.7442 10.7196 10.7196 12.7696 12.7696 16.3500 16.3500 k = 0.6000 0.0000 0.3674 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7918 -35.7918 -35.7901 -35.7901 -34.5936 -34.5936 -34.5925 -34.5925 -5.2785 -5.2785 -5.2732 -5.2732 -4.4315 -4.4315 -4.4209 -4.4209 -4.4115 -4.4115 4.1445 4.1445 5.9533 5.9533 7.1812 7.1812 7.4621 7.4621 8.0369 8.0369 8.3885 8.3885 8.9048 8.9048 9.6558 9.6558 10.6418 10.6418 12.7038 12.7038 16.4023 16.4023 k = 0.6042-0.0120 0.3742 ( 8119 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7919 -35.7919 -35.7900 -35.7900 -34.5936 -34.5936 -34.5925 -34.5925 -5.2783 -5.2783 -5.2734 -5.2734 -4.4314 -4.4314 -4.4210 -4.4210 -4.4115 -4.4115 4.1400 4.1400 6.0158 6.0158 7.1970 7.1970 7.4602 7.4602 8.0494 8.0494 8.3629 8.3629 8.9197 8.9197 9.5770 9.5770 10.5668 10.5668 12.6370 12.6370 16.4436 16.4436 k = 0.6083-0.0241 0.3810 ( 8122 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7900 -35.7900 -34.5936 -34.5936 -34.5925 -34.5925 -5.2782 -5.2782 -5.2736 -5.2736 -4.4313 -4.4313 -4.4212 -4.4212 -4.4115 -4.4115 4.1342 4.1342 6.0788 6.0788 7.2121 7.2121 7.4573 7.4573 8.0624 8.0624 8.3377 8.3377 8.9334 8.9334 9.5088 9.5088 10.4946 10.4946 12.5693 12.5693 16.4749 16.4749 k = 0.6125-0.0361 0.3878 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7899 -35.7899 -34.5936 -34.5936 -34.5925 -34.5925 -5.2781 -5.2781 -5.2738 -5.2738 -4.4313 -4.4313 -4.4214 -4.4214 -4.4115 -4.4115 4.1268 4.1268 6.1420 6.1420 7.2263 7.2263 7.4542 7.4542 8.0753 8.0753 8.3139 8.3139 8.9443 8.9443 9.4527 9.4527 10.4255 10.4255 12.5010 12.5010 16.4974 16.4974 k = 0.6167-0.0481 0.3946 ( 8124 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7921 -35.7921 -35.7898 -35.7898 -34.5936 -34.5936 -34.5924 -34.5924 -5.2780 -5.2780 -5.2740 -5.2740 -4.4313 -4.4313 -4.4216 -4.4216 -4.4114 -4.4114 4.1176 4.1176 6.2049 6.2049 7.2391 7.2391 7.4519 7.4519 8.0869 8.0869 8.2931 8.2931 8.9506 8.9506 9.4104 9.4104 10.3596 10.3596 12.4323 12.4323 16.5121 16.5121 k = 0.6208-0.0601 0.4014 ( 8126 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7922 -35.7922 -35.7897 -35.7897 -34.5936 -34.5936 -34.5924 -34.5924 -5.2779 -5.2779 -5.2742 -5.2742 -4.4313 -4.4313 -4.4218 -4.4218 -4.4114 -4.4114 4.1066 4.1066 6.2668 6.2668 7.2499 7.2499 7.4515 7.4515 8.0955 8.0955 8.2770 8.2770 8.9506 8.9506 9.3835 9.3835 10.2971 10.2971 12.3635 12.3635 16.5201 16.5201 k = 0.6250-0.0722 0.4082 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0935 4.0935 6.3269 6.3269 7.2580 7.2580 7.4544 7.4544 8.0991 8.0991 8.2680 8.2680 8.9433 8.9433 9.3726 9.3726 10.2382 10.2382 12.2947 12.2947 16.5224 16.5224 k = 0.6250-0.0722 0.4082 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0935 4.0935 6.3269 6.3269 7.2580 7.2580 7.4544 7.4544 8.0991 8.0991 8.2680 8.2680 8.9433 8.9433 9.3726 9.3726 10.2382 10.2382 12.2947 12.2947 16.5224 16.5224 k = 0.6181-0.0682 0.4196 ( 8118 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0941 4.0941 6.3267 6.3267 7.2580 7.2580 7.4540 7.4540 8.0995 8.0995 8.2692 8.2692 8.9430 8.9430 9.3714 9.3714 10.2310 10.2310 12.3067 12.3067 16.5193 16.5193 k = 0.6111-0.0642 0.4309 ( 8118 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0958 4.0958 6.3261 6.3261 7.2578 7.2578 7.4529 7.4529 8.1008 8.1008 8.2730 8.2730 8.9422 8.9422 9.3677 9.3677 10.2103 10.2103 12.3423 12.3423 16.5089 16.5089 k = 0.6042-0.0601 0.4423 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2778 -5.2778 -5.2743 -5.2743 -4.4313 -4.4313 -4.4219 -4.4219 -4.4114 -4.4114 4.0987 4.0987 6.3250 6.3250 7.2576 7.2576 7.4510 7.4510 8.1031 8.1031 8.2791 8.2791 8.9409 8.9409 9.3615 9.3615 10.1778 10.1778 12.3996 12.3996 16.4890 16.4890 k = 0.5972-0.0561 0.4536 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7922 -35.7922 -35.7897 -35.7897 -34.5936 -34.5936 -34.5924 -34.5924 -5.2778 -5.2778 -5.2744 -5.2744 -4.4313 -4.4313 -4.4218 -4.4218 -4.4115 -4.4115 4.1026 4.1026 6.3235 6.3235 7.2573 7.2573 7.4484 7.4484 8.1064 8.1064 8.2871 8.2871 8.9392 8.9392 9.3526 9.3526 10.1361 10.1361 12.4764 12.4764 16.4548 16.4548 k = 0.5903-0.0521 0.4649 ( 8107 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7922 -35.7922 -35.7897 -35.7897 -34.5936 -34.5936 -34.5924 -34.5924 -5.2777 -5.2777 -5.2744 -5.2744 -4.4313 -4.4313 -4.4217 -4.4217 -4.4116 -4.4116 4.1074 4.1074 6.3216 6.3216 7.2569 7.2569 7.4452 7.4452 8.1109 8.1109 8.2966 8.2966 8.9373 8.9373 9.3409 9.3409 10.0881 10.0881 12.5699 12.5699 16.3997 16.3997 k = 0.5833-0.0481 0.4763 ( 8113 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7922 -35.7922 -35.7898 -35.7898 -34.5936 -34.5936 -34.5924 -34.5924 -5.2777 -5.2777 -5.2744 -5.2744 -4.4312 -4.4312 -4.4215 -4.4215 -4.4117 -4.4117 4.1132 4.1132 6.3194 6.3194 7.2566 7.2566 7.4415 7.4415 8.1166 8.1166 8.3071 8.3071 8.9352 8.9352 9.3263 9.3263 10.0369 10.0369 12.6775 12.6775 16.3179 16.3179 k = 0.5764-0.0441 0.4876 ( 8101 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7921 -35.7921 -35.7898 -35.7898 -34.5936 -34.5936 -34.5924 -34.5924 -5.2776 -5.2776 -5.2744 -5.2744 -4.4312 -4.4312 -4.4213 -4.4213 -4.4118 -4.4118 4.1198 4.1198 6.3168 6.3168 7.2562 7.2562 7.4374 7.4374 8.1236 8.1236 8.3179 8.3179 8.9333 8.9333 9.3086 9.3086 9.9849 9.9849 12.7968 12.7968 16.2082 16.2082 k = 0.5694-0.0401 0.4990 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7921 -35.7921 -35.7899 -35.7899 -34.5936 -34.5936 -34.5924 -34.5924 -5.2775 -5.2775 -5.2745 -5.2745 -4.4312 -4.4312 -4.4211 -4.4211 -4.4120 -4.4120 4.1270 4.1270 6.3139 6.3139 7.2559 7.2559 7.4329 7.4329 8.1318 8.1318 8.3283 8.3283 8.9318 8.9318 9.2878 9.2878 9.9345 9.9345 12.9259 12.9259 16.0760 16.0760 k = 0.5625-0.0361 0.5103 ( 8115 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7899 -35.7899 -34.5936 -34.5936 -34.5924 -34.5924 -5.2774 -5.2774 -5.2745 -5.2745 -4.4312 -4.4312 -4.4209 -4.4209 -4.4122 -4.4122 4.1347 4.1347 6.3107 6.3107 7.2556 7.2556 7.4281 7.4281 8.1415 8.1415 8.3377 8.3377 8.9311 8.9311 9.2642 9.2642 9.8873 9.8873 13.0630 13.0630 15.9286 15.9286 k = 0.5556-0.0321 0.5217 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7900 -35.7900 -34.5936 -34.5936 -34.5925 -34.5925 -5.2773 -5.2773 -5.2746 -5.2746 -4.4311 -4.4311 -4.4207 -4.4207 -4.4124 -4.4124 4.1427 4.1427 6.3074 6.3074 7.2555 7.2555 7.4233 7.4233 8.1525 8.1525 8.3451 8.3451 8.9317 8.9317 9.2381 9.2381 9.8446 9.8446 13.2066 13.2066 15.7721 15.7721 k = 0.5486-0.0281 0.5330 ( 8111 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7919 -35.7919 -35.7901 -35.7901 -34.5936 -34.5936 -34.5925 -34.5925 -5.2772 -5.2772 -5.2746 -5.2746 -4.4311 -4.4311 -4.4205 -4.4205 -4.4125 -4.4125 4.1508 4.1508 6.3039 6.3039 7.2555 7.2555 7.4184 7.4184 8.1648 8.1648 8.3499 8.3499 8.9340 8.9340 9.2101 9.2101 9.8072 9.8072 13.3555 13.3555 15.6106 15.6106 k = 0.5417-0.0241 0.5443 ( 8107 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7918 -35.7918 -35.7901 -35.7901 -34.5936 -34.5936 -34.5925 -34.5925 -5.2771 -5.2771 -5.2747 -5.2747 -4.4311 -4.4311 -4.4202 -4.4202 -4.4127 -4.4127 4.1587 4.1587 6.3004 6.3004 7.2556 7.2556 7.4136 7.4136 8.1783 8.1783 8.3514 8.3514 8.9385 8.9385 9.1811 9.1811 9.7752 9.7752 13.5084 13.5084 15.4466 15.4466 k = 0.5347-0.0200 0.5557 ( 8103 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7918 -35.7918 -35.7902 -35.7902 -34.5936 -34.5936 -34.5925 -34.5925 -5.2770 -5.2770 -5.2747 -5.2747 -4.4311 -4.4311 -4.4200 -4.4200 -4.4129 -4.4129 4.1663 4.1663 6.2970 6.2970 7.2558 7.2558 7.4090 7.4090 8.1930 8.1930 8.3490 8.3490 8.9456 8.9456 9.1519 9.1519 9.7487 9.7487 13.6644 13.6644 15.2819 15.2819 k = 0.5278-0.0160 0.5670 ( 8101 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7903 -35.7903 -34.5935 -34.5935 -34.5925 -34.5925 -5.2769 -5.2769 -5.2748 -5.2748 -4.4310 -4.4310 -4.4198 -4.4198 -4.4131 -4.4131 4.1732 4.1732 6.2939 6.2939 7.2561 7.2561 7.4048 7.4048 8.2088 8.2088 8.3427 8.3427 8.9553 8.9553 9.1235 9.1235 9.7274 9.7274 13.8224 13.8224 15.1177 15.1177 k = 0.5208-0.0120 0.5784 ( 8103 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7903 -35.7903 -34.5935 -34.5935 -34.5925 -34.5925 -5.2769 -5.2769 -5.2748 -5.2748 -4.4310 -4.4310 -4.4196 -4.4196 -4.4132 -4.4132 4.1791 4.1791 6.2911 6.2911 7.2564 7.2564 7.4012 7.4012 8.2253 8.2253 8.3327 8.3327 8.9676 8.9676 9.0966 9.0966 9.7111 9.7111 13.9811 13.9811 14.9550 14.9550 k = 0.5139-0.0080 0.5897 ( 8113 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4195 -4.4195 -4.4133 -4.4133 4.1837 4.1837 6.2889 6.2889 7.2567 7.2567 7.3983 7.3983 8.2424 8.2424 8.3197 8.3197 8.9819 8.9819 9.0722 9.0722 9.6996 9.6996 14.1389 14.1389 14.7951 14.7951 k = 0.5069-0.0040 0.6010 ( 8113 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4194 -4.4194 -4.4134 -4.4134 4.1867 4.1867 6.2874 6.2874 7.2570 7.2570 7.3964 7.3964 8.2589 8.2589 8.3051 8.3051 8.9965 8.9965 9.0518 9.0518 9.6927 9.6927 14.2910 14.2910 14.6422 14.6422 k = 0.5000 0.0000 0.6124 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4194 -4.4194 -4.4134 -4.4134 4.1878 4.1878 6.2868 6.2868 7.2571 7.2571 7.3958 7.3958 8.2686 8.2686 8.2959 8.2959 9.0046 9.0046 9.0420 9.0420 9.6903 9.6903 14.3917 14.3917 14.5415 14.5415 k = 0.5000 0.0000 0.6124 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4194 -4.4194 -4.4134 -4.4134 4.1878 4.1878 6.2868 6.2868 7.2571 7.2571 7.3958 7.3958 8.2686 8.2686 8.2959 8.2959 9.0046 9.0046 9.0420 9.0420 9.6903 9.6903 14.3917 14.3917 14.5415 14.5415 k = 0.5000 0.0082 0.6007 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2768 -5.2768 -5.2748 -5.2748 -4.4310 -4.4310 -4.4194 -4.4194 -4.4134 -4.4134 4.1877 4.1877 6.2825 6.2825 7.2564 7.2564 7.3969 7.3969 8.2530 8.2530 8.3108 8.3108 8.9908 8.9908 9.0604 9.0604 9.6957 9.6957 14.3890 14.3890 14.5421 14.5421 k = 0.5000 0.0165 0.5890 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2769 -5.2769 -5.2747 -5.2747 -4.4310 -4.4310 -4.4194 -4.4194 -4.4134 -4.4134 4.1872 4.1872 6.2697 6.2697 7.2544 7.2544 7.4003 7.4003 8.2284 8.2284 8.3331 8.3331 8.9699 8.9699 9.0952 9.0952 9.7115 9.7115 14.3810 14.3810 14.5440 14.5440 k = 0.5000 0.0247 0.5774 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2770 -5.2770 -5.2746 -5.2746 -4.4310 -4.4310 -4.4194 -4.4194 -4.4133 -4.4133 4.1865 4.1865 6.2490 6.2490 7.2509 7.2509 7.4056 7.4056 8.2030 8.2030 8.3550 8.3550 8.9501 8.9501 9.1383 9.1383 9.7374 9.7374 14.3680 14.3680 14.5468 14.5468 k = 0.5000 0.0330 0.5657 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2771 -5.2771 -5.2745 -5.2745 -4.4310 -4.4310 -4.4195 -4.4195 -4.4133 -4.4133 4.1856 4.1856 6.2211 6.2211 7.2459 7.2459 7.4124 7.4124 8.1779 8.1779 8.3755 8.3755 8.9319 8.9319 9.1892 9.1892 9.7728 9.7728 14.3505 14.3505 14.5504 14.5504 k = 0.5000 0.0412 0.5541 ( 8098 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2772 -5.2772 -5.2744 -5.2744 -4.4310 -4.4310 -4.4195 -4.4195 -4.4132 -4.4132 4.1844 4.1844 6.1869 6.1869 7.2393 7.2393 7.4203 7.4203 8.1536 8.1536 8.3945 8.3945 8.9151 8.9151 9.2480 9.2480 9.8169 9.8169 14.3290 14.3290 14.5546 14.5546 k = 0.5000 0.0495 0.5424 ( 8106 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2774 -5.2774 -5.2742 -5.2742 -4.4311 -4.4311 -4.4196 -4.4196 -4.4131 -4.4131 4.1829 4.1829 6.1474 6.1474 7.2310 7.2310 7.4287 7.4287 8.1305 8.1305 8.4120 8.4120 8.8997 8.8997 9.3147 9.3147 9.8692 9.8692 14.3039 14.3039 14.5590 14.5590 k = 0.5000 0.0577 0.5307 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5925 -34.5925 -5.2776 -5.2776 -5.2740 -5.2740 -4.4311 -4.4311 -4.4196 -4.4196 -4.4130 -4.4130 4.1812 4.1812 6.1037 6.1037 7.2213 7.2213 7.4368 7.4368 8.1088 8.1088 8.4282 8.4282 8.8856 8.8856 9.3890 9.3890 9.9290 9.9290 14.2757 14.2757 14.5636 14.5636 k = 0.5000 0.0660 0.5191 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5926 -34.5926 -5.2777 -5.2777 -5.2738 -5.2738 -4.4312 -4.4312 -4.4197 -4.4197 -4.4128 -4.4128 4.1793 4.1793 6.0565 6.0565 7.2103 7.2103 7.4442 7.4442 8.0888 8.0888 8.4434 8.4434 8.8726 8.8726 9.4706 9.4706 9.9956 9.9956 14.2450 14.2450 14.5682 14.5682 k = 0.5000 0.0742 0.5074 ( 8118 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5926 -34.5926 -5.2779 -5.2779 -5.2736 -5.2736 -4.4313 -4.4313 -4.4197 -4.4197 -4.4127 -4.4127 4.1772 4.1772 6.0069 6.0069 7.1980 7.1980 7.4505 7.4505 8.0705 8.0705 8.4576 8.4576 8.8608 8.8608 9.5590 9.5590 10.0686 10.0686 14.2122 14.2122 14.5726 14.5726 k = 0.5000 0.0825 0.4957 ( 8126 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5926 -34.5926 -5.2781 -5.2781 -5.2734 -5.2734 -4.4314 -4.4314 -4.4198 -4.4198 -4.4125 -4.4125 4.1749 4.1749 5.9554 5.9554 7.1849 7.1849 7.4554 7.4554 8.0540 8.0540 8.4712 8.4712 8.8502 8.8502 9.6535 9.6535 10.1475 10.1475 14.1776 14.1776 14.5765 14.5765 k = 0.5000 0.0907 0.4841 ( 8132 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5926 -34.5926 -5.2783 -5.2783 -5.2732 -5.2732 -4.4315 -4.4315 -4.4199 -4.4199 -4.4123 -4.4123 4.1725 4.1725 5.9029 5.9029 7.1709 7.1709 7.4586 7.4586 8.0394 8.0394 8.4842 8.4842 8.8407 8.8407 9.7538 9.7538 10.2320 10.2320 14.1417 14.1417 14.5798 14.5798 k = 0.5000 0.0990 0.4724 ( 8132 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5926 -34.5926 -5.2785 -5.2785 -5.2730 -5.2730 -4.4317 -4.4317 -4.4199 -4.4199 -4.4120 -4.4120 4.1699 4.1699 5.8498 5.8498 7.1563 7.1563 7.4601 7.4601 8.0265 8.0265 8.4968 8.4968 8.8324 8.8324 9.8593 9.8593 10.3218 10.3218 14.1050 14.1050 14.5821 14.5821 k = 0.5000 0.1072 0.4607 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7904 -35.7904 -34.5935 -34.5935 -34.5926 -34.5926 -5.2787 -5.2787 -5.2728 -5.2728 -4.4318 -4.4318 -4.4200 -4.4200 -4.4117 -4.4117 4.1672 4.1672 5.7967 5.7967 7.1413 7.1413 7.4598 7.4598 8.0154 8.0154 8.5089 8.5089 8.8251 8.8251 9.9694 9.9694 10.4166 10.4166 14.0676 14.0676 14.5832 14.5832 k = 0.5000 0.1155 0.4491 ( 8134 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7903 -35.7903 -34.5935 -34.5935 -34.5926 -34.5926 -5.2789 -5.2789 -5.2725 -5.2725 -4.4321 -4.4321 -4.4200 -4.4200 -4.4115 -4.4115 4.1645 4.1645 5.7440 5.7440 7.1260 7.1260 7.4580 7.4580 8.0060 8.0060 8.5207 8.5207 8.8189 8.8189 10.0837 10.0837 10.5162 10.5162 14.0301 14.0301 14.5825 14.5825 k = 0.5000 0.1237 0.4374 ( 8124 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7903 -35.7903 -34.5935 -34.5935 -34.5926 -34.5926 -5.2791 -5.2791 -5.2723 -5.2723 -4.4323 -4.4323 -4.4200 -4.4200 -4.4111 -4.4111 4.1617 4.1617 5.6920 5.6920 7.1106 7.1106 7.4546 7.4546 7.9981 7.9981 8.5319 8.5319 8.8138 8.8138 10.2018 10.2018 10.6204 10.6204 13.9927 13.9927 14.5798 14.5798 k = 0.5000 0.1320 0.4257 ( 8126 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7903 -35.7903 -34.5935 -34.5935 -34.5926 -34.5926 -5.2793 -5.2793 -5.2721 -5.2721 -4.4326 -4.4326 -4.4201 -4.4201 -4.4108 -4.4108 4.1588 4.1588 5.6411 5.6411 7.0952 7.0952 7.4499 7.4499 7.9915 7.9915 8.5427 8.5427 8.8098 8.8098 10.3233 10.3233 10.7289 10.7289 13.9556 13.9556 14.5744 14.5744 k = 0.5000 0.1402 0.4141 ( 8134 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7903 -35.7903 -34.5935 -34.5935 -34.5926 -34.5926 -5.2795 -5.2795 -5.2719 -5.2719 -4.4328 -4.4328 -4.4201 -4.4201 -4.4105 -4.4105 4.1560 4.1560 5.5917 5.5917 7.0800 7.0800 7.4442 7.4442 7.9862 7.9862 8.5528 8.5528 8.8067 8.8067 10.4477 10.4477 10.8416 10.8416 13.9191 13.9191 14.5660 14.5660 k = 0.5000 0.1485 0.4024 ( 8134 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7903 -35.7903 -34.5935 -34.5935 -34.5926 -34.5926 -5.2796 -5.2796 -5.2717 -5.2717 -4.4331 -4.4331 -4.4201 -4.4201 -4.4101 -4.4101 4.1531 4.1531 5.5438 5.5438 7.0650 7.0650 7.4375 7.4375 7.9819 7.9819 8.5622 8.5622 8.8048 8.8048 10.5747 10.5747 10.9584 10.9584 13.8834 13.8834 14.5538 14.5538 k = 0.5000 0.1567 0.3908 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2798 -5.2798 -5.2715 -5.2715 -4.4335 -4.4335 -4.4201 -4.4201 -4.4098 -4.4098 4.1503 4.1503 5.4979 5.4979 7.0504 7.0504 7.4302 7.4302 7.9786 7.9786 8.5708 8.5708 8.8038 8.8038 10.7040 10.7040 11.0789 11.0789 13.8487 13.8487 14.5373 14.5373 k = 0.5000 0.1650 0.3791 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2800 -5.2800 -5.2713 -5.2713 -4.4338 -4.4338 -4.4200 -4.4200 -4.4094 -4.4094 4.1475 4.1475 5.4539 5.4539 7.0362 7.0362 7.4225 7.4225 7.9760 7.9760 8.5786 8.5786 8.8037 8.8037 10.8353 10.8353 11.2029 11.2029 13.8151 13.8151 14.5157 14.5157 k = 0.5000 0.1732 0.3674 ( 8122 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2802 -5.2802 -5.2711 -5.2711 -4.4341 -4.4341 -4.4200 -4.4200 -4.4090 -4.4090 4.1449 4.1449 5.4122 5.4122 7.0226 7.0226 7.4145 7.4145 7.9741 7.9741 8.5854 8.5854 8.8045 8.8045 10.9683 10.9683 11.3303 11.3303 13.7829 13.7829 14.4883 14.4883 k = 0.5000 0.1815 0.3558 ( 8122 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5936 -34.5936 -34.5926 -34.5926 -5.2803 -5.2803 -5.2710 -5.2710 -4.4345 -4.4345 -4.4200 -4.4200 -4.4086 -4.4086 4.1423 4.1423 5.3728 5.3728 7.0097 7.0097 7.4064 7.4064 7.9727 7.9727 8.5914 8.5914 8.8061 8.8061 11.1026 11.1026 11.4607 11.4607 13.7522 13.7522 14.4545 14.4545 k = 0.5000 0.1897 0.3441 ( 8122 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2805 -5.2805 -5.2708 -5.2708 -4.4348 -4.4348 -4.4200 -4.4200 -4.4083 -4.4083 4.1398 4.1398 5.3359 5.3359 6.9974 6.9974 7.3984 7.3984 7.9718 7.9718 8.5965 8.5965 8.8084 8.8084 11.2381 11.2381 11.5938 11.5938 13.7229 13.7229 14.4135 14.4135 k = 0.5000 0.1979 0.3324 ( 8118 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2807 -5.2807 -5.2706 -5.2706 -4.4351 -4.4351 -4.4199 -4.4199 -4.4079 -4.4079 4.1375 4.1375 5.3016 5.3016 6.9860 6.9860 7.3906 7.3906 7.9712 7.9712 8.6008 8.6008 8.8112 8.8112 11.3741 11.3741 11.7293 11.7293 13.6952 13.6952 14.3648 14.3648 k = 0.5000 0.2062 0.3208 ( 8106 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2808 -5.2808 -5.2705 -5.2705 -4.4354 -4.4354 -4.4199 -4.4199 -4.4076 -4.4076 4.1353 4.1353 5.2699 5.2699 6.9753 6.9753 7.3831 7.3831 7.9708 7.9708 8.6043 8.6043 8.8144 8.8144 11.5105 11.5105 11.8668 11.8668 13.6691 13.6691 14.3082 14.3082 k = 0.5000 0.2144 0.3091 ( 8106 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2809 -5.2809 -5.2703 -5.2703 -4.4357 -4.4357 -4.4199 -4.4199 -4.4073 -4.4073 4.1333 4.1333 5.2411 5.2411 6.9655 6.9655 7.3761 7.3761 7.9707 7.9707 8.6072 8.6072 8.8178 8.8178 11.6465 11.6465 12.0059 12.0059 13.6446 13.6446 14.2436 14.2436 k = 0.5000 0.2227 0.2974 ( 8104 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5936 -34.5936 -34.5926 -34.5926 -5.2810 -5.2810 -5.2702 -5.2702 -4.4360 -4.4360 -4.4198 -4.4198 -4.4070 -4.4070 4.1315 4.1315 5.2151 5.2151 6.9566 6.9566 7.3696 7.3696 7.9707 7.9707 8.6095 8.6095 8.8213 8.8213 11.7814 11.7814 12.1459 12.1459 13.6216 13.6216 14.1712 14.1712 k = 0.5000 0.2309 0.2858 ( 8110 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5936 -34.5936 -34.5926 -34.5926 -5.2812 -5.2812 -5.2701 -5.2701 -4.4363 -4.4363 -4.4198 -4.4198 -4.4067 -4.4067 4.1299 4.1299 5.1920 5.1920 6.9487 6.9487 7.3637 7.3637 7.9708 7.9708 8.6112 8.6112 8.8247 8.8247 11.9143 11.9143 12.2861 12.2861 13.5998 13.5998 14.0917 14.0917 k = 0.5000 0.2392 0.2741 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5936 -34.5936 -34.5926 -34.5926 -5.2812 -5.2812 -5.2700 -5.2700 -4.4365 -4.4365 -4.4198 -4.4198 -4.4065 -4.4065 4.1284 4.1284 5.1719 5.1719 6.9418 6.9418 7.3585 7.3585 7.9709 7.9709 8.6126 8.6126 8.8280 8.8280 12.0437 12.0437 12.4257 12.4257 13.5791 13.5791 14.0063 14.0063 k = 0.5000 0.2474 0.2624 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2813 -5.2813 -5.2699 -5.2699 -4.4367 -4.4367 -4.4198 -4.4198 -4.4063 -4.4063 4.1272 4.1272 5.1548 5.1548 6.9359 6.9359 7.3540 7.3540 7.9711 7.9711 8.6137 8.6137 8.8309 8.8309 12.1675 12.1675 12.5633 12.5633 13.5589 13.5589 13.9167 13.9167 k = 0.5000 0.2557 0.2508 ( 8100 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2814 -5.2814 -5.2698 -5.2698 -4.4368 -4.4368 -4.4197 -4.4197 -4.4061 -4.4061 4.1262 4.1262 5.1408 5.1408 6.9310 6.9310 7.3503 7.3503 7.9713 7.9713 8.6144 8.6144 8.8334 8.8334 12.2827 12.2827 12.6967 12.6967 13.5388 13.5388 13.8256 13.8256 k = 0.5000 0.2639 0.2391 ( 8090 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2698 -5.2698 -4.4370 -4.4370 -4.4197 -4.4197 -4.4060 -4.4060 4.1253 4.1253 5.1298 5.1298 6.9272 6.9272 7.3474 7.3474 7.9715 7.9715 8.6150 8.6150 8.8355 8.8355 12.3847 12.3847 12.8224 12.8224 13.5184 13.5184 13.7366 13.7366 k = 0.5000 0.2722 0.2275 ( 8078 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4059 -4.4059 4.1248 4.1248 5.1220 5.1220 6.9245 6.9245 7.3453 7.3453 7.9716 7.9716 8.6153 8.6153 8.8370 8.8370 12.4673 12.4673 12.9336 12.9336 13.4981 13.4981 13.6561 13.6561 k = 0.5000 0.2804 0.2158 ( 8080 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7899 -35.7899 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4058 -4.4058 4.1244 4.1244 5.1173 5.1173 6.9229 6.9229 7.3440 7.3440 7.9717 7.9717 8.6156 8.6156 8.8379 8.8379 12.5221 12.5221 13.0169 13.0169 13.4804 13.4804 13.5956 13.5956 k = 0.5000 0.2887 0.2041 ( 8086 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7899 -35.7899 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4058 -4.4058 4.1243 4.1243 5.1157 5.1157 6.9223 6.9223 7.3436 7.3436 7.9717 7.9717 8.6156 8.6156 8.8382 8.8382 12.5415 12.5415 13.0496 13.0496 13.4722 13.4722 13.5724 13.5724 k = 0.5000 0.2887 0.2041 ( 8086 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7899 -35.7899 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4058 -4.4058 4.1243 4.1243 5.1157 5.1157 6.9223 6.9223 7.3436 7.3436 7.9717 7.9717 8.6156 8.6156 8.8382 8.8382 12.5415 12.5415 13.0496 13.0496 13.4722 13.4722 13.5724 13.5724 k = 0.4958 0.2863 0.2177 ( 8080 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7899 -35.7899 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4058 -4.4058 4.1244 4.1244 5.1173 5.1173 6.9229 6.9229 7.3440 7.3440 7.9717 7.9717 8.6155 8.6155 8.8379 8.8379 12.5217 12.5217 13.0163 13.0163 13.4805 13.4805 13.5961 13.5961 k = 0.4917 0.2839 0.2313 ( 8077 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2815 -5.2815 -5.2697 -5.2697 -4.4371 -4.4371 -4.4197 -4.4197 -4.4059 -4.4059 4.1248 4.1248 5.1221 5.1221 6.9245 6.9245 7.3453 7.3453 7.9716 7.9716 8.6153 8.6153 8.8369 8.8369 12.4657 12.4657 12.9319 12.9319 13.4970 13.4970 13.6589 13.6589 k = 0.4875 0.2815 0.2449 ( 8093 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2814 -5.2814 -5.2698 -5.2698 -4.4370 -4.4370 -4.4197 -4.4197 -4.4060 -4.4060 4.1254 4.1254 5.1301 5.1301 6.9273 6.9273 7.3475 7.3475 7.9714 7.9714 8.6150 8.6150 8.8354 8.8354 12.3813 12.3813 12.8207 12.8207 13.5110 13.5110 13.7470 13.7470 k = 0.4833 0.2791 0.2586 ( 8099 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2814 -5.2814 -5.2698 -5.2698 -4.4368 -4.4368 -4.4197 -4.4197 -4.4061 -4.4061 4.1262 4.1262 5.1413 5.1413 6.9312 6.9312 7.3504 7.3504 7.9713 7.9713 8.6144 8.6144 8.8333 8.8333 12.2759 12.2759 12.6979 12.6979 13.5178 13.5178 13.8514 13.8514 k = 0.4792 0.2766 0.2722 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5937 -34.5937 -34.5926 -34.5926 -5.2813 -5.2813 -5.2699 -5.2699 -4.4367 -4.4367 -4.4198 -4.4198 -4.4063 -4.4063 4.1272 4.1272 5.1556 5.1556 6.9362 6.9362 7.3543 7.3543 7.9711 7.9711 8.6136 8.6136 8.8308 8.8308 12.1555 12.1555 12.5712 12.5712 13.5167 13.5167 13.9673 13.9673 k = 0.4750 0.2742 0.2858 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5936 -34.5936 -34.5926 -34.5926 -5.2812 -5.2812 -5.2700 -5.2700 -4.4365 -4.4365 -4.4198 -4.4198 -4.4065 -4.4065 4.1285 4.1285 5.1731 5.1731 6.9422 6.9422 7.3588 7.3588 7.9709 7.9709 8.6125 8.6125 8.8278 8.8278 12.0242 12.0242 12.4447 12.4447 13.5086 13.5086 14.0916 14.0916 k = 0.4708 0.2718 0.2994 ( 8109 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5936 -34.5936 -34.5926 -34.5926 -5.2811 -5.2811 -5.2701 -5.2701 -4.4362 -4.4362 -4.4198 -4.4198 -4.4068 -4.4068 4.1299 4.1299 5.1936 5.1936 6.9493 6.9493 7.3641 7.3641 7.9708 7.9708 8.6110 8.6110 8.8246 8.8246 11.8849 11.8849 12.3204 12.3204 13.4947 13.4947 14.2224 14.2224 k = 0.4667 0.2694 0.3130 ( 8113 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7900 -35.7900 -34.5936 -34.5936 -34.5926 -34.5926 -5.2810 -5.2810 -5.2702 -5.2702 -4.4360 -4.4360 -4.4198 -4.4198 -4.4070 -4.4070 4.1316 4.1316 5.2172 5.2172 6.9573 6.9573 7.3701 7.3701 7.9707 7.9707 8.6090 8.6090 8.8212 8.8212 11.7402 11.7402 12.1991 12.1991 13.4756 13.4756 14.3582 14.3582 k = 0.4625 0.2670 0.3266 ( 8109 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2809 -5.2809 -5.2703 -5.2703 -4.4357 -4.4357 -4.4199 -4.4199 -4.4073 -4.4073 4.1334 4.1334 5.2438 5.2438 6.9664 6.9664 7.3767 7.3767 7.9707 7.9707 8.6064 8.6064 8.8179 8.8179 11.5920 11.5920 12.0810 12.0810 13.4519 13.4519 14.4980 14.4980 k = 0.4583 0.2646 0.3402 ( 8115 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2808 -5.2808 -5.2705 -5.2705 -4.4354 -4.4354 -4.4199 -4.4199 -4.4076 -4.4076 4.1353 4.1353 5.2733 5.2733 6.9764 6.9764 7.3839 7.3839 7.9708 7.9708 8.6029 8.6029 8.8149 8.8149 11.4419 11.4419 11.9662 11.9662 13.4240 13.4240 14.6413 14.6413 k = 0.4542 0.2622 0.3538 ( 8127 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2806 -5.2806 -5.2706 -5.2706 -4.4351 -4.4351 -4.4199 -4.4199 -4.4080 -4.4080 4.1374 4.1374 5.3058 5.3058 6.9873 6.9873 7.3915 7.3915 7.9712 7.9712 8.5984 8.5984 8.8124 8.8124 11.2915 11.2915 11.8545 11.8545 13.3922 13.3922 14.7874 14.7874 k = 0.4500 0.2598 0.3674 ( 8125 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7901 -35.7901 -34.5936 -34.5936 -34.5926 -34.5926 -5.2805 -5.2805 -5.2708 -5.2708 -4.4348 -4.4348 -4.4200 -4.4200 -4.4083 -4.4083 4.1395 4.1395 5.3411 5.3411 6.9990 6.9990 7.3994 7.3994 7.9718 7.9718 8.5927 8.5927 8.8107 8.8107 11.1416 11.1416 11.7457 11.7457 13.3566 13.3566 14.9360 14.9360 k = 0.4458 0.2574 0.3810 ( 8127 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5936 -34.5936 -34.5926 -34.5926 -5.2803 -5.2803 -5.2710 -5.2710 -4.4344 -4.4344 -4.4200 -4.4200 -4.4087 -4.4087 4.1417 4.1417 5.3791 5.3791 7.0115 7.0115 7.4075 7.4075 7.9728 7.9728 8.5855 8.5855 8.8100 8.8100 10.9934 10.9934 11.6396 11.6396 13.3175 13.3175 15.0866 15.0866 k = 0.4417 0.2550 0.3946 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2802 -5.2802 -5.2712 -5.2712 -4.4341 -4.4341 -4.4201 -4.4201 -4.4090 -4.4090 4.1438 4.1438 5.4199 5.4199 7.0248 7.0248 7.4158 7.4158 7.9742 7.9742 8.5767 8.5767 8.8107 8.8107 10.8475 10.8475 11.5362 11.5362 13.2750 13.2750 15.2388 15.2388 k = 0.4375 0.2526 0.4082 ( 8136 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2800 -5.2800 -5.2713 -5.2713 -4.4338 -4.4338 -4.4201 -4.4201 -4.4094 -4.4094 4.1458 4.1458 5.4632 5.4632 7.0387 7.0387 7.4239 7.4239 7.9762 7.9762 8.5661 8.5661 8.8128 8.8128 10.7047 10.7047 11.4354 11.4354 13.2292 13.2292 15.3919 15.3919 k = 0.4333 0.2502 0.4219 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2798 -5.2798 -5.2715 -5.2715 -4.4334 -4.4334 -4.4202 -4.4202 -4.4097 -4.4097 4.1476 4.1476 5.5091 5.5091 7.0532 7.0532 7.4317 7.4317 7.9788 7.9788 8.5536 8.5536 8.8165 8.8165 10.5656 10.5656 11.3371 11.3371 13.1803 13.1803 15.5450 15.5450 k = 0.4292 0.2478 0.4355 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7915 -35.7915 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2796 -5.2796 -5.2717 -5.2717 -4.4331 -4.4331 -4.4202 -4.4202 -4.4101 -4.4101 4.1492 4.1492 5.5575 5.5575 7.0683 7.0683 7.4392 7.4392 7.9822 7.9822 8.5390 8.5390 8.8220 8.8220 10.4308 10.4308 11.2414 11.2414 13.1286 13.1286 15.6966 15.6966 k = 0.4250 0.2454 0.4491 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2795 -5.2795 -5.2719 -5.2719 -4.4328 -4.4328 -4.4203 -4.4203 -4.4104 -4.4104 4.1505 4.1505 5.6082 5.6082 7.0838 7.0838 7.4459 7.4459 7.9865 7.9865 8.5226 8.5226 8.8293 8.8293 10.3009 10.3009 11.1481 11.1481 13.0742 13.0742 15.8439 15.8439 k = 0.4208 0.2430 0.4627 ( 8117 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2793 -5.2793 -5.2722 -5.2722 -4.4325 -4.4325 -4.4203 -4.4203 -4.4107 -4.4107 4.1513 4.1513 5.6611 5.6611 7.0997 7.0997 7.4518 7.4518 7.9918 7.9918 8.5041 8.5041 8.8383 8.8383 10.1764 10.1764 11.0573 11.0573 13.0173 13.0173 15.9818 15.9818 k = 0.4167 0.2406 0.4763 ( 8111 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7916 -35.7916 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2791 -5.2791 -5.2724 -5.2724 -4.4323 -4.4323 -4.4204 -4.4204 -4.4109 -4.4109 4.1515 4.1515 5.7161 5.7161 7.1158 7.1158 7.4566 7.4566 7.9983 7.9983 8.4839 8.4839 8.8491 8.8491 10.0579 10.0579 10.9690 10.9690 12.9582 12.9582 16.1035 16.1035 k = 0.4125 0.2382 0.4899 ( 8117 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7902 -35.7902 -34.5935 -34.5935 -34.5926 -34.5926 -5.2789 -5.2789 -5.2726 -5.2726 -4.4320 -4.4320 -4.4205 -4.4205 -4.4111 -4.4111 4.1511 4.1511 5.7730 5.7730 7.1322 7.1322 7.4601 7.4601 8.0060 8.0060 8.4620 8.4620 8.8613 8.8613 9.9459 9.9459 10.8833 10.8833 12.8970 12.8970 16.2041 16.2041 k = 0.4083 0.2358 0.5035 ( 8109 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7901 -35.7901 -34.5935 -34.5935 -34.5926 -34.5926 -5.2788 -5.2788 -5.2728 -5.2728 -4.4318 -4.4318 -4.4206 -4.4206 -4.4113 -4.4113 4.1499 4.1499 5.8317 5.8317 7.1486 7.1486 7.4622 7.4622 8.0151 8.0151 8.4385 8.4385 8.8750 8.8750 9.8411 9.8411 10.8001 10.8001 12.8341 12.8341 16.2850 16.2850 k = 0.4042 0.2333 0.5171 ( 8108 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7917 -35.7917 -35.7901 -35.7901 -34.5935 -34.5935 -34.5925 -34.5925 -5.2786 -5.2786 -5.2730 -5.2730 -4.4317 -4.4317 -4.4207 -4.4207 -4.4114 -4.4114 4.1477 4.1477 5.8919 5.8919 7.1650 7.1650 7.4629 7.4629 8.0254 8.0254 8.4139 8.4139 8.8896 8.8896 9.7442 9.7442 10.7196 10.7196 12.7696 12.7696 16.3500 16.3500 k = 0.4000 0.2309 0.5307 ( 8105 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7918 -35.7918 -35.7901 -35.7901 -34.5936 -34.5936 -34.5925 -34.5925 -5.2785 -5.2785 -5.2732 -5.2732 -4.4315 -4.4315 -4.4209 -4.4209 -4.4115 -4.4115 4.1445 4.1445 5.9533 5.9533 7.1812 7.1812 7.4621 7.4621 8.0369 8.0369 8.3885 8.3885 8.9048 8.9048 9.6558 9.6558 10.6418 10.6418 12.7038 12.7038 16.4023 16.4023 k = 0.3958 0.2285 0.5443 ( 8119 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7919 -35.7919 -35.7900 -35.7900 -34.5936 -34.5936 -34.5925 -34.5925 -5.2783 -5.2783 -5.2734 -5.2734 -4.4314 -4.4314 -4.4210 -4.4210 -4.4115 -4.4115 4.1400 4.1400 6.0158 6.0158 7.1970 7.1970 7.4602 7.4602 8.0494 8.0494 8.3629 8.3629 8.9197 8.9197 9.5770 9.5770 10.5668 10.5668 12.6370 12.6370 16.4436 16.4436 k = 0.3917 0.2261 0.5579 ( 8122 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7900 -35.7900 -34.5936 -34.5936 -34.5925 -34.5925 -5.2782 -5.2782 -5.2736 -5.2736 -4.4313 -4.4313 -4.4212 -4.4212 -4.4115 -4.4115 4.1342 4.1342 6.0788 6.0788 7.2121 7.2121 7.4573 7.4573 8.0624 8.0624 8.3377 8.3377 8.9334 8.9334 9.5088 9.5088 10.4946 10.4946 12.5693 12.5693 16.4749 16.4749 k = 0.3875 0.2237 0.5715 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7920 -35.7920 -35.7899 -35.7899 -34.5936 -34.5936 -34.5925 -34.5925 -5.2781 -5.2781 -5.2738 -5.2738 -4.4313 -4.4313 -4.4214 -4.4214 -4.4115 -4.4115 4.1268 4.1268 6.1420 6.1420 7.2263 7.2263 7.4542 7.4542 8.0753 8.0753 8.3139 8.3139 8.9443 8.9443 9.4527 9.4527 10.4255 10.4255 12.5010 12.5010 16.4974 16.4974 k = 0.3833 0.2213 0.5852 ( 8124 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7921 -35.7921 -35.7898 -35.7898 -34.5936 -34.5936 -34.5924 -34.5924 -5.2780 -5.2780 -5.2740 -5.2740 -4.4313 -4.4313 -4.4216 -4.4216 -4.4114 -4.4114 4.1176 4.1176 6.2049 6.2049 7.2391 7.2391 7.4519 7.4519 8.0869 8.0869 8.2931 8.2931 8.9506 8.9506 9.4104 9.4104 10.3596 10.3596 12.4323 12.4323 16.5121 16.5121 k = 0.3792 0.2189 0.5988 ( 8126 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7922 -35.7922 -35.7897 -35.7897 -34.5936 -34.5936 -34.5924 -34.5924 -5.2779 -5.2779 -5.2742 -5.2742 -4.4313 -4.4313 -4.4218 -4.4218 -4.4114 -4.4114 4.1066 4.1066 6.2668 6.2668 7.2499 7.2499 7.4515 7.4515 8.0955 8.0955 8.2770 8.2770 8.9506 8.9506 9.3835 9.3835 10.2971 10.2971 12.3635 12.3635 16.5201 16.5201 k = 0.3750 0.2165 0.6124 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0935 4.0935 6.3269 6.3269 7.2580 7.2580 7.4544 7.4544 8.0991 8.0991 8.2680 8.2680 8.9433 8.9433 9.3726 9.3726 10.2382 10.2382 12.2947 12.2947 16.5224 16.5224 k = 0.6250-0.0722 0.4082 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7923 -35.7923 -35.7897 -35.7897 -34.5937 -34.5937 -34.5924 -34.5924 -5.2779 -5.2779 -5.2743 -5.2743 -4.4313 -4.4313 -4.4220 -4.4220 -4.4113 -4.4113 4.0935 4.0935 6.3269 6.3269 7.2580 7.2580 7.4544 7.4544 8.0991 8.0991 8.2680 8.2680 8.9433 8.9433 9.3726 9.3726 10.2382 10.2382 12.2947 12.2947 16.5224 16.5224 k = 0.6181-0.0842 0.4082 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7924 -35.7924 -35.7895 -35.7895 -34.5937 -34.5937 -34.5924 -34.5924 -5.2778 -5.2778 -5.2746 -5.2746 -4.4314 -4.4314 -4.4224 -4.4224 -4.4111 -4.4111 4.0693 4.0693 6.4276 6.4276 7.2695 7.2695 7.4630 7.4630 8.1009 8.1009 8.2599 8.2599 8.9257 8.9257 9.3672 9.3672 10.1440 10.1440 12.1785 12.1785 16.5186 16.5186 k = 0.6111-0.0962 0.4082 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7926 -35.7926 -35.7894 -35.7894 -34.5937 -34.5937 -34.5923 -34.5923 -5.2778 -5.2778 -5.2748 -5.2748 -4.4315 -4.4315 -4.4228 -4.4228 -4.4109 -4.4109 4.0440 4.0440 6.5322 6.5322 7.2813 7.2813 7.4714 7.4714 8.1045 8.1045 8.2526 8.2526 8.9093 8.9093 9.3613 9.3613 10.0516 10.0516 12.0595 12.0595 16.5087 16.5087 k = 0.6042-0.1083 0.4082 ( 8112 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7927 -35.7927 -35.7892 -35.7892 -34.5937 -34.5937 -34.5923 -34.5923 -5.2778 -5.2778 -5.2751 -5.2751 -4.4317 -4.4317 -4.4232 -4.4232 -4.4108 -4.4108 4.0184 4.0184 6.6397 6.6397 7.2935 7.2935 7.4797 7.4797 8.1095 8.1095 8.2466 8.2466 8.8942 8.8942 9.3541 9.3541 9.9611 9.9611 11.9385 11.9385 16.4951 16.4951 k = 0.5972-0.1203 0.4082 ( 8114 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7928 -35.7928 -35.7891 -35.7891 -34.5938 -34.5938 -34.5923 -34.5923 -5.2778 -5.2778 -5.2753 -5.2753 -4.4318 -4.4318 -4.4235 -4.4235 -4.4106 -4.4106 3.9929 3.9929 6.7489 6.7489 7.3061 7.3061 7.4880 7.4880 8.1155 8.1155 8.2429 8.2429 8.8806 8.8806 9.3451 9.3451 9.8727 9.8727 11.8165 11.8165 16.4794 16.4794 k = 0.5903-0.1323 0.4082 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7930 -35.7930 -35.7890 -35.7890 -34.5938 -34.5938 -34.5922 -34.5922 -5.2778 -5.2778 -5.2755 -5.2755 -4.4320 -4.4320 -4.4239 -4.4239 -4.4104 -4.4104 3.9680 3.9680 6.8583 6.8583 7.3194 7.3194 7.4969 7.4969 8.1214 8.1214 8.2429 8.2429 8.8684 8.8684 9.3336 9.3336 9.7867 9.7867 11.6944 11.6944 16.4631 16.4631 k = 0.5833-0.1443 0.4082 ( 8102 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7931 -35.7931 -35.7889 -35.7889 -34.5938 -34.5938 -34.5922 -34.5922 -5.2778 -5.2778 -5.2757 -5.2757 -4.4322 -4.4322 -4.4242 -4.4242 -4.4102 -4.4102 3.9439 3.9439 6.9658 6.9658 7.3334 7.3334 7.5073 7.5073 8.1260 8.1260 8.2482 8.2482 8.8577 8.8577 9.3188 9.3188 9.7033 9.7033 11.5733 11.5733 16.4470 16.4470 k = 0.5764-0.1564 0.4082 ( 8110 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7932 -35.7932 -35.7888 -35.7888 -34.5939 -34.5939 -34.5922 -34.5922 -5.2779 -5.2779 -5.2759 -5.2759 -4.4324 -4.4324 -4.4245 -4.4245 -4.4100 -4.4100 3.9210 3.9210 7.0682 7.0682 7.3487 7.3487 7.5212 7.5212 8.1287 8.1287 8.2598 8.2598 8.8484 8.8484 9.2997 9.2997 9.6229 9.6229 11.4544 11.4544 16.4316 16.4316 k = 0.5694-0.1684 0.4082 ( 8110 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7933 -35.7933 -35.7887 -35.7887 -34.5939 -34.5939 -34.5921 -34.5921 -5.2779 -5.2779 -5.2761 -5.2761 -4.4326 -4.4326 -4.4248 -4.4248 -4.4099 -4.4099 3.8996 3.8996 7.1602 7.1602 7.3655 7.3655 7.5422 7.5422 8.1300 8.1300 8.2777 8.2777 8.8403 8.8403 9.2752 9.2752 9.5464 9.5464 11.3389 11.3389 16.4173 16.4173 k = 0.5625-0.1804 0.4082 ( 8110 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7934 -35.7934 -35.7886 -35.7886 -34.5939 -34.5939 -34.5921 -34.5921 -5.2780 -5.2780 -5.2762 -5.2762 -4.4329 -4.4329 -4.4251 -4.4251 -4.4097 -4.4097 3.8797 3.8797 7.2347 7.2347 7.3838 7.3838 7.5763 7.5763 8.1315 8.1315 8.3012 8.3012 8.8334 8.8334 9.2442 9.2442 9.4743 9.4743 11.2283 11.2283 16.4044 16.4044 k = 0.5556-0.1925 0.4082 ( 8120 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7935 -35.7935 -35.7885 -35.7885 -34.5939 -34.5939 -34.5921 -34.5921 -5.2781 -5.2781 -5.2763 -5.2763 -4.4331 -4.4331 -4.4253 -4.4253 -4.4096 -4.4096 3.8615 3.8615 7.2871 7.2871 7.4011 7.4011 7.6286 7.6286 8.1354 8.1354 8.3291 8.3291 8.8274 8.8274 9.2055 9.2055 9.4074 9.4074 11.1240 11.1240 16.3929 16.3929 k = 0.5486-0.2045 0.4082 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7935 -35.7935 -35.7884 -35.7884 -34.5939 -34.5939 -34.5921 -34.5921 -5.2782 -5.2782 -5.2763 -5.2763 -4.4333 -4.4333 -4.4255 -4.4255 -4.4095 -4.4095 3.8452 3.8452 7.3208 7.3208 7.4141 7.4141 7.6958 7.6958 8.1450 8.1450 8.3604 8.3604 8.8220 8.8220 9.1593 9.1593 9.3457 9.3457 11.0276 11.0276 16.3829 16.3829 k = 0.5417-0.2165 0.4082 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7936 -35.7936 -35.7884 -35.7884 -34.5940 -34.5940 -34.5921 -34.5921 -5.2783 -5.2783 -5.2764 -5.2764 -4.4335 -4.4335 -4.4256 -4.4256 -4.4094 -4.4094 3.8309 3.8309 7.3433 7.3433 7.4219 7.4219 7.7667 7.7667 8.1647 8.1647 8.3939 8.3939 8.8163 8.8163 9.1071 9.1071 9.2882 9.2882 10.9406 10.9406 16.3743 16.3743 k = 0.5347-0.2285 0.4082 ( 8128 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7937 -35.7937 -35.7883 -35.7883 -34.5940 -34.5940 -34.5920 -34.5920 -5.2784 -5.2784 -5.2764 -5.2764 -4.4336 -4.4336 -4.4258 -4.4258 -4.4093 -4.4093 3.8187 3.8187 7.3598 7.3598 7.4255 7.4255 7.8293 7.8293 8.2000 8.2000 8.4282 8.4282 8.8088 8.8088 9.0527 9.0527 9.2331 9.2331 10.8644 10.8644 16.3671 16.3671 k = 0.5278-0.2406 0.4082 ( 8116 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7937 -35.7937 -35.7883 -35.7883 -34.5940 -34.5940 -34.5920 -34.5920 -5.2785 -5.2785 -5.2765 -5.2765 -4.4338 -4.4338 -4.4259 -4.4259 -4.4092 -4.4092 3.8086 3.8086 7.3728 7.3728 7.4263 7.4263 7.8755 7.8755 8.2541 8.2541 8.4618 8.4618 8.7954 8.7954 9.0024 9.0024 9.1795 9.1795 10.8004 10.8004 16.3613 16.3613 k = 0.5208-0.2526 0.4082 ( 8134 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2786 -5.2786 -5.2765 -5.2765 -4.4339 -4.4339 -4.4260 -4.4260 -4.4091 -4.4091 3.8007 3.8007 7.3835 7.3835 7.4250 7.4250 7.9047 7.9047 8.3247 8.3247 8.4924 8.4924 8.7688 8.7688 8.9657 8.9657 9.1276 9.1276 10.7497 10.7497 16.3569 16.3569 k = 0.5139-0.2646 0.4082 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2786 -5.2786 -5.2765 -5.2765 -4.4340 -4.4340 -4.4260 -4.4260 -4.4091 -4.4091 3.7951 3.7951 7.3923 7.3923 7.4225 7.4225 7.9211 7.9211 8.4046 8.4046 8.5175 8.5175 8.7227 8.7227 8.9506 8.9506 9.0791 9.0791 10.7129 10.7129 16.3537 16.3537 k = 0.5069-0.2766 0.4082 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2787 -5.2787 -5.2765 -5.2765 -4.4340 -4.4340 -4.4261 -4.4261 -4.4091 -4.4091 3.7916 3.7916 7.3989 7.3989 7.4194 7.4194 7.9292 7.9292 8.4855 8.4855 8.5341 8.5341 8.6614 8.6614 8.9543 8.9543 9.0385 9.0385 10.6907 10.6907 16.3518 16.3518 k = 0.5000-0.2887 0.4082 ( 8144 PWs) bands (ev): -81.2391 -81.2391 -48.1047 -48.1047 -35.7938 -35.7938 -35.7882 -35.7882 -34.5940 -34.5940 -34.5920 -34.5920 -5.2787 -5.2787 -5.2765 -5.2765 -4.4340 -4.4340 -4.4261 -4.4261 -4.4091 -4.4091 3.7905 3.7905 7.4017 7.4017 7.4177 7.4177 7.9316 7.9316 8.5389 8.5389 8.5404 8.5404 8.6138 8.6138 8.9618 8.9618 9.0190 9.0190 10.6832 10.6832 16.3512 16.3512 Writing output data file Li2InIr.save init_run : 0.26s CPU 0.39s WALL ( 1 calls) electrons : 158.04s CPU 160.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 158.03s CPU 160.08s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.09s WALL ( 327 calls) cegterg : 139.20s CPU 140.55s WALL ( 367 calls) Called by sum_band: Called by *egterg: h_psi : 105.67s CPU 106.67s WALL ( 6187 calls) s_psi : 3.87s CPU 4.06s WALL ( 6187 calls) g_psi : 0.35s CPU 0.30s WALL ( 5493 calls) cdiaghg : 28.32s CPU 28.62s WALL ( 5820 calls) cegterg:over : 5.70s CPU 5.76s WALL ( 5493 calls) cegterg:upda : 5.40s CPU 5.54s WALL ( 5493 calls) cegterg:last : 3.12s CPU 3.13s WALL ( 1021 calls) cdiaghg:chol : 1.62s CPU 1.68s WALL ( 5820 calls) cdiaghg:inve : 0.75s CPU 0.82s WALL ( 5820 calls) cdiaghg:para : 1.65s CPU 1.73s WALL ( 11640 calls) Called by h_psi: h_psi:vloc : 98.24s CPU 99.23s WALL ( 6187 calls) h_psi:vnl : 7.15s CPU 7.12s WALL ( 6187 calls) add_vuspsi : 3.39s CPU 3.42s WALL ( 6187 calls) General routines calbec : 3.73s CPU 3.68s WALL ( 6187 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 93.24s CPU 94.04s WALL ( 552544 calls) davcio : 0.26s CPU 0.31s WALL ( 654 calls) Parallel routines fft_scatter : 29.37s CPU 29.68s WALL ( 552559 calls) PWSCF : 2m58.98s CPU 3m12.99s WALL This run was terminated on: 19:36:28 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=