Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 9:10 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: ./Mg2FeH6.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 33 9 1608 758 117 Max 55 34 10 1612 774 121 Sum 1969 1201 349 57967 27581 4285 bravais-lattice index = 14 lattice parameter (alat) = 8.6145 a.u. unit-cell volume = 452.0445 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.614540 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Fe 8.00 55.84500 Fe( 1.00) Mg 10.00 24.30500 Mg( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030488 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030488 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030488 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030488 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030488 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030488 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030488 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030488 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030488 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030488 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030488 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030488 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030488 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030488 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030488 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030488 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030488 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030488 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030488 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030488 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030488 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030488 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030488 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030488 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030488 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030488 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030488 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030488 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030488 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030488 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030488 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030488 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030488 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030488 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030488 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030488 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030488 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030488 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030488 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030488 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030488 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030488 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030488 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030488 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030488 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030488 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030488 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030488 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030488 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030488 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030488 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030488 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030488 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030488 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030488 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030488 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030488 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030488 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030488 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030488 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030488 k( 76) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030488 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030488 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030488 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030488 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030488 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030488 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030488 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030488 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030488 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030488 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030488 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030488 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030488 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030488 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030488 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030488 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030488 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030488 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030488 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030488 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030488 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030488 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030488 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030488 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030488 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030488 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030488 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030488 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030488 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030488 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030488 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030488 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030488 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030488 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030488 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030488 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030488 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030488 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030488 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030488 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030488 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030488 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030488 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030488 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030488 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030488 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030488 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030488 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030488 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030488 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030488 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030488 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030488 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030488 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030488 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030488 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030488 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030488 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030488 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030488 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030488 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030488 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030488 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030488 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030488 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030488 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030488 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030488 k( 151) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030488 k( 152) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030488 k( 153) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030488 k( 154) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030488 k( 155) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030488 k( 156) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030488 k( 157) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030488 k( 158) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030488 k( 159) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030488 k( 160) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030488 k( 161) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030488 k( 162) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030488 k( 163) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030488 k( 164) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030488 k( 165) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030488 k( 166) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030488 k( 167) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030488 k( 168) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030488 k( 169) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030488 k( 170) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030488 k( 171) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030488 k( 172) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030488 k( 173) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030488 k( 174) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030488 k( 175) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030488 k( 176) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030488 k( 177) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030488 k( 178) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030488 k( 179) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030488 k( 180) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030488 k( 181) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030488 k( 182) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030488 k( 183) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030488 k( 184) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030488 k( 185) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030488 k( 186) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030488 k( 187) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030488 k( 188) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030488 k( 189) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030488 k( 190) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030488 k( 191) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030488 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 193) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 194) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030488 k( 195) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030488 k( 196) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030488 k( 197) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030488 k( 198) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030488 k( 199) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030488 k( 200) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030488 k( 201) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030488 k( 202) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030488 k( 203) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030488 k( 204) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030488 k( 205) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030488 k( 206) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030488 k( 207) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030488 k( 208) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030488 k( 209) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030488 k( 210) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030488 k( 211) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030488 k( 212) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030488 k( 213) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030488 k( 214) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030488 k( 215) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030488 k( 216) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030488 k( 217) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0030488 k( 218) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030488 k( 219) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030488 k( 220) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030488 k( 221) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030488 k( 222) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030488 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 224) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 225) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030488 k( 226) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030488 k( 227) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030488 k( 228) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030488 k( 229) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030488 k( 230) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030488 k( 231) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030488 k( 232) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030488 k( 233) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030488 k( 234) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030488 k( 235) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030488 k( 236) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030488 k( 237) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030488 k( 238) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030488 k( 239) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030488 k( 240) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030488 k( 241) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030488 k( 242) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 243) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 244) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030488 k( 245) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030488 k( 246) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030488 k( 247) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030488 k( 248) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030488 k( 249) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030488 k( 250) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030488 k( 251) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030488 k( 252) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030488 k( 253) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030488 k( 254) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030488 k( 255) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030488 k( 256) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030488 k( 257) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030488 k( 258) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030488 k( 259) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030488 k( 260) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030488 k( 261) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030488 k( 262) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030488 k( 263) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030488 k( 264) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030488 k( 265) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030488 k( 266) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030488 k( 267) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030488 k( 268) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030488 k( 269) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030488 k( 270) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030488 k( 271) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030488 k( 272) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030488 k( 273) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030488 k( 274) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030488 k( 275) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030488 k( 276) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030488 k( 277) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030488 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 279) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 280) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030488 k( 281) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030488 k( 282) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030488 k( 283) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030488 k( 284) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030488 k( 285) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030488 k( 286) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030488 k( 287) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030488 k( 288) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030488 k( 289) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030488 k( 290) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030488 k( 291) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030488 k( 292) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030488 k( 293) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030488 k( 294) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030488 k( 295) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030488 k( 296) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030488 k( 297) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030488 k( 298) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030488 k( 299) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030488 k( 300) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030488 k( 301) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030488 k( 302) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030488 k( 303) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030488 k( 304) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030488 k( 305) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030488 k( 306) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030488 k( 307) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030488 k( 308) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030488 k( 309) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 311) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030488 k( 312) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030488 k( 313) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030488 k( 314) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030488 k( 315) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030488 k( 316) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030488 k( 317) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030488 k( 318) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030488 k( 319) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030488 k( 320) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030488 k( 321) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030488 k( 322) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030488 k( 323) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030488 k( 324) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030488 k( 325) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030488 k( 326) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030488 k( 327) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030488 k( 328) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030488 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0030488 k( 6) = ( 0.0510204 0.0000000 0.0510204), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0000000 0.0816326), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0030488 k( 11) = ( 0.1020408 0.0000000 0.1020408), wk = 0.0030488 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0000000 0.1326531), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0000000 0.1632653), wk = 0.0030488 k( 18) = ( 0.1734694 -0.0000000 0.1734694), wk = 0.0030488 k( 19) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0030488 k( 20) = ( 0.1938776 -0.0000000 0.1938775), wk = 0.0030488 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030488 k( 22) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0030488 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030488 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030488 k( 25) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0030488 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030488 k( 27) = ( 0.2653061 -0.0000000 0.2653061), wk = 0.0030488 k( 28) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0030488 k( 29) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0030488 k( 30) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0030488 k( 31) = ( 0.3061224 -0.0000000 0.3061224), wk = 0.0030488 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030488 k( 33) = ( 0.3265306 -0.0000000 0.3265306), wk = 0.0030488 k( 34) = ( 0.3367347 -0.0000000 0.3367347), wk = 0.0030488 k( 35) = ( 0.3469388 -0.0000000 0.3469388), wk = 0.0030488 k( 36) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0030488 k( 37) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0030488 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030488 k( 39) = ( 0.3877551 -0.0000000 0.3877551), wk = 0.0030488 k( 40) = ( 0.3979592 -0.0000000 0.3979592), wk = 0.0030488 k( 41) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0030488 k( 42) = ( 0.4183674 -0.0000000 0.4183673), wk = 0.0030488 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030488 k( 44) = ( 0.4387755 -0.0000000 0.4387755), wk = 0.0030488 k( 45) = ( 0.4489796 -0.0000000 0.4489796), wk = 0.0030488 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0030488 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030488 k( 48) = ( 0.4795918 -0.0000000 0.4795918), wk = 0.0030488 k( 49) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0030488 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030488 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030488 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030488 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030488 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030488 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030488 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030488 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030488 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030488 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030488 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030488 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030488 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030488 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030488 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030488 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030488 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030488 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030488 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030488 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030488 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030488 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030488 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030488 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030488 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030488 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030488 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030488 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030488 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030488 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030488 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030488 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030488 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030488 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030488 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030488 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030488 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030488 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030488 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030488 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030488 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030488 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030488 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030488 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030488 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030488 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030488 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030488 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030488 k( 105) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030488 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030488 k( 107) = ( 0.2956731 0.2956731 0.5913461), wk = 0.0030488 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030488 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030488 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030488 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030488 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030488 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030488 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030488 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030488 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030488 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030488 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030488 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030488 k( 120) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0030488 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030488 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030488 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030488 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030488 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030488 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030488 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030488 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030488 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030488 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030488 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030488 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030488 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030488 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030488 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030488 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030488 k( 137) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030488 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030488 k( 139) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030488 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030488 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030488 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030488 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030488 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030488 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030488 k( 146) = ( 0.0144231 0.0144231 0.0288461), wk = 0.0030488 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030488 k( 151) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030488 k( 152) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030488 k( 153) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030488 k( 154) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030488 k( 155) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030488 k( 156) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030488 k( 157) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030488 k( 158) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030488 k( 159) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030488 k( 160) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030488 k( 161) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030488 k( 162) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030488 k( 163) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030488 k( 164) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030488 k( 165) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030488 k( 166) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030488 k( 167) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030488 k( 168) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030488 k( 169) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030488 k( 170) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030488 k( 171) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030488 k( 172) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030488 k( 173) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030488 k( 174) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030488 k( 175) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030488 k( 176) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030488 k( 177) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030488 k( 178) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030488 k( 179) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030488 k( 180) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030488 k( 181) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030488 k( 182) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030488 k( 183) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030488 k( 184) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030488 k( 185) = ( 0.4186047 0.4186047 0.4186046), wk = 0.0030488 k( 186) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030488 k( 187) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030488 k( 188) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030488 k( 189) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030488 k( 190) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030488 k( 191) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030488 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030488 k( 195) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030488 k( 196) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030488 k( 197) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030488 k( 198) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030488 k( 199) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030488 k( 200) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030488 k( 201) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030488 k( 202) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030488 k( 203) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030488 k( 204) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030488 k( 205) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030488 k( 206) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030488 k( 207) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030488 k( 208) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030488 k( 209) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030488 k( 210) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030488 k( 211) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030488 k( 212) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030488 k( 213) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030488 k( 214) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030488 k( 215) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030488 k( 216) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030488 k( 217) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030488 k( 218) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030488 k( 219) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030488 k( 220) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030488 k( 221) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030488 k( 222) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030488 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 224) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 225) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030488 k( 226) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030488 k( 227) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030488 k( 228) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030488 k( 229) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030488 k( 230) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030488 k( 231) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030488 k( 232) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030488 k( 233) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030488 k( 234) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030488 k( 235) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030488 k( 236) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030488 k( 237) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030488 k( 238) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030488 k( 239) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030488 k( 240) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030488 k( 241) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030488 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 243) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 244) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030488 k( 245) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030488 k( 246) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030488 k( 247) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030488 k( 248) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030488 k( 249) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030488 k( 250) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030488 k( 251) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030488 k( 252) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030488 k( 253) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030488 k( 254) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030488 k( 255) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030488 k( 256) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030488 k( 257) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030488 k( 258) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030488 k( 259) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030488 k( 260) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030488 k( 261) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030488 k( 262) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030488 k( 263) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030488 k( 264) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030488 k( 265) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030488 k( 266) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030488 k( 267) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030488 k( 268) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030488 k( 269) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030488 k( 270) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030488 k( 271) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030488 k( 272) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030488 k( 273) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030488 k( 274) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030488 k( 275) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030488 k( 276) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030488 k( 277) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030488 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 280) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030488 k( 281) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030488 k( 282) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030488 k( 283) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030488 k( 284) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030488 k( 285) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030488 k( 286) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030488 k( 287) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030488 k( 288) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030488 k( 289) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030488 k( 290) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030488 k( 291) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030488 k( 292) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030488 k( 293) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030488 k( 294) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030488 k( 295) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030488 k( 296) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030488 k( 297) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030488 k( 298) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030488 k( 299) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030488 k( 300) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030488 k( 301) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030488 k( 302) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030488 k( 303) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030488 k( 304) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030488 k( 305) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030488 k( 306) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030488 k( 307) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030488 k( 308) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030488 k( 309) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 311) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030488 k( 312) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030488 k( 313) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030488 k( 314) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030488 k( 315) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030488 k( 316) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030488 k( 317) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030488 k( 318) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030488 k( 319) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030488 k( 320) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030488 k( 321) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030488 k( 322) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030488 k( 323) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030488 k( 324) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030488 k( 325) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030488 k( 326) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030488 k( 327) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030488 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 Dense grid: 57967 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 27581 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 188, 42) NL pseudopotentials 0.11 Mb ( 94, 74) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1611) G-vector shells 0.00 Mb ( 429) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 188, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.09 Mb ( 74, 2, 42) Check: negative/imaginary core charge= -0.000014 0.000000 The potential is recalculated from file : ./Mg2FeH6.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 6.0 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.9 secs Computing kpt #: 16 total cpu time spent up to now is 8.4 secs Computing kpt #: 17 total cpu time spent up to now is 8.8 secs Computing kpt #: 18 total cpu time spent up to now is 9.3 secs Computing kpt #: 19 total cpu time spent up to now is 9.9 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.5 secs Computing kpt #: 23 total cpu time spent up to now is 12.1 secs Computing kpt #: 24 total cpu time spent up to now is 12.4 secs Computing kpt #: 25 total cpu time spent up to now is 12.7 secs Computing kpt #: 26 total cpu time spent up to now is 13.0 secs Computing kpt #: 27 total cpu time spent up to now is 13.3 secs Computing kpt #: 28 total cpu time spent up to now is 13.7 secs Computing kpt #: 29 total cpu time spent up to now is 14.0 secs Computing kpt #: 30 total cpu time spent up to now is 14.4 secs Computing kpt #: 31 total cpu time spent up to now is 14.8 secs Computing kpt #: 32 total cpu time spent up to now is 15.2 secs Computing kpt #: 33 total cpu time spent up to now is 15.5 secs Computing kpt #: 34 total cpu time spent up to now is 16.0 secs Computing kpt #: 35 total cpu time spent up to now is 16.4 secs Computing kpt #: 36 total cpu time spent up to now is 16.7 secs Computing kpt #: 37 total cpu time spent up to now is 16.9 secs Computing kpt #: 38 total cpu time spent up to now is 17.2 secs Computing kpt #: 39 total cpu time spent up to now is 17.5 secs Computing kpt #: 40 total cpu time spent up to now is 17.7 secs Computing kpt #: 41 total cpu time spent up to now is 18.0 secs Computing kpt #: 42 total cpu time spent up to now is 18.2 secs Computing kpt #: 43 total cpu time spent up to now is 18.4 secs Computing kpt #: 44 total cpu time spent up to now is 18.7 secs Computing kpt #: 45 total cpu time spent up to now is 18.9 secs Computing kpt #: 46 total cpu time spent up to now is 19.1 secs Computing kpt #: 47 total cpu time spent up to now is 19.4 secs Computing kpt #: 48 total cpu time spent up to now is 19.6 secs Computing kpt #: 49 total cpu time spent up to now is 19.9 secs Computing kpt #: 50 total cpu time spent up to now is 20.1 secs Computing kpt #: 51 total cpu time spent up to now is 20.4 secs Computing kpt #: 52 total cpu time spent up to now is 20.6 secs Computing kpt #: 53 total cpu time spent up to now is 20.8 secs Computing kpt #: 54 total cpu time spent up to now is 21.1 secs Computing kpt #: 55 total cpu time spent up to now is 21.4 secs Computing kpt #: 56 total cpu time spent up to now is 21.6 secs Computing kpt #: 57 total cpu time spent up to now is 21.9 secs Computing kpt #: 58 total cpu time spent up to now is 22.1 secs Computing kpt #: 59 total cpu time spent up to now is 22.4 secs Computing kpt #: 60 total cpu time spent up to now is 22.7 secs Computing kpt #: 61 total cpu time spent up to now is 22.9 secs Computing kpt #: 62 total cpu time spent up to now is 23.2 secs Computing kpt #: 63 total cpu time spent up to now is 23.5 secs Computing kpt #: 64 total cpu time spent up to now is 23.7 secs Computing kpt #: 65 total cpu time spent up to now is 24.0 secs Computing kpt #: 66 total cpu time spent up to now is 24.3 secs Computing kpt #: 67 total cpu time spent up to now is 24.5 secs Computing kpt #: 68 total cpu time spent up to now is 24.8 secs Computing kpt #: 69 total cpu time spent up to now is 25.1 secs Computing kpt #: 70 total cpu time spent up to now is 25.3 secs Computing kpt #: 71 total cpu time spent up to now is 25.6 secs Computing kpt #: 72 total cpu time spent up to now is 25.8 secs Computing kpt #: 73 total cpu time spent up to now is 26.1 secs Computing kpt #: 74 total cpu time spent up to now is 26.3 secs Computing kpt #: 75 total cpu time spent up to now is 26.5 secs Computing kpt #: 76 total cpu time spent up to now is 26.8 secs Computing kpt #: 77 total cpu time spent up to now is 27.0 secs Computing kpt #: 78 total cpu time spent up to now is 27.3 secs Computing kpt #: 79 total cpu time spent up to now is 27.5 secs Computing kpt #: 80 total cpu time spent up to now is 27.8 secs Computing kpt #: 81 total cpu time spent up to now is 28.0 secs Computing kpt #: 82 total cpu time spent up to now is 28.3 secs Computing kpt #: 83 total cpu time spent up to now is 28.5 secs Computing kpt #: 84 total cpu time spent up to now is 28.8 secs Computing kpt #: 85 total cpu time spent up to now is 29.0 secs Computing kpt #: 86 total cpu time spent up to now is 29.3 secs Computing kpt #: 87 total cpu time spent up to now is 29.6 secs Computing kpt #: 88 total cpu time spent up to now is 29.8 secs Computing kpt #: 89 total cpu time spent up to now is 30.1 secs Computing kpt #: 90 total cpu time spent up to now is 30.4 secs Computing kpt #: 91 total cpu time spent up to now is 30.6 secs Computing kpt #: 92 total cpu time spent up to now is 30.9 secs Computing kpt #: 93 total cpu time spent up to now is 31.2 secs Computing kpt #: 94 total cpu time spent up to now is 31.5 secs Computing kpt #: 95 total cpu time spent up to now is 31.7 secs Computing kpt #: 96 total cpu time spent up to now is 32.0 secs Computing kpt #: 97 total cpu time spent up to now is 32.2 secs Computing kpt #: 98 total cpu time spent up to now is 32.5 secs Computing kpt #: 99 total cpu time spent up to now is 32.8 secs Computing kpt #: 100 total cpu time spent up to now is 33.0 secs Computing kpt #: 101 total cpu time spent up to now is 33.3 secs Computing kpt #: 102 total cpu time spent up to now is 33.5 secs Computing kpt #: 103 total cpu time spent up to now is 33.8 secs Computing kpt #: 104 total cpu time spent up to now is 34.0 secs Computing kpt #: 105 total cpu time spent up to now is 34.3 secs Computing kpt #: 106 total cpu time spent up to now is 34.6 secs Computing kpt #: 107 total cpu time spent up to now is 34.8 secs Computing kpt #: 108 total cpu time spent up to now is 35.1 secs Computing kpt #: 109 total cpu time spent up to now is 35.4 secs Computing kpt #: 110 total cpu time spent up to now is 35.7 secs Computing kpt #: 111 total cpu time spent up to now is 36.0 secs Computing kpt #: 112 total cpu time spent up to now is 36.2 secs Computing kpt #: 113 total cpu time spent up to now is 36.5 secs Computing kpt #: 114 total cpu time spent up to now is 36.8 secs Computing kpt #: 115 total cpu time spent up to now is 37.2 secs Computing kpt #: 116 total cpu time spent up to now is 37.4 secs Computing kpt #: 117 total cpu time spent up to now is 37.8 secs Computing kpt #: 118 total cpu time spent up to now is 38.2 secs Computing kpt #: 119 total cpu time spent up to now is 38.5 secs Computing kpt #: 120 total cpu time spent up to now is 38.8 secs Computing kpt #: 121 total cpu time spent up to now is 39.1 secs Computing kpt #: 122 total cpu time spent up to now is 39.5 secs Computing kpt #: 123 total cpu time spent up to now is 39.8 secs Computing kpt #: 124 total cpu time spent up to now is 40.1 secs Computing kpt #: 125 total cpu time spent up to now is 40.4 secs Computing kpt #: 126 total cpu time spent up to now is 40.7 secs Computing kpt #: 127 total cpu time spent up to now is 41.0 secs Computing kpt #: 128 total cpu time spent up to now is 41.3 secs Computing kpt #: 129 total cpu time spent up to now is 41.6 secs Computing kpt #: 130 total cpu time spent up to now is 41.9 secs Computing kpt #: 131 total cpu time spent up to now is 42.6 secs Computing kpt #: 132 total cpu time spent up to now is 42.9 secs Computing kpt #: 133 total cpu time spent up to now is 43.2 secs Computing kpt #: 134 total cpu time spent up to now is 43.5 secs Computing kpt #: 135 total cpu time spent up to now is 43.8 secs Computing kpt #: 136 total cpu time spent up to now is 44.1 secs Computing kpt #: 137 total cpu time spent up to now is 44.4 secs Computing kpt #: 138 total cpu time spent up to now is 44.7 secs Computing kpt #: 139 total cpu time spent up to now is 45.0 secs Computing kpt #: 140 total cpu time spent up to now is 45.4 secs Computing kpt #: 141 total cpu time spent up to now is 45.7 secs Computing kpt #: 142 total cpu time spent up to now is 46.0 secs Computing kpt #: 143 total cpu time spent up to now is 46.4 secs Computing kpt #: 144 total cpu time spent up to now is 46.8 secs Computing kpt #: 145 total cpu time spent up to now is 47.2 secs Computing kpt #: 146 total cpu time spent up to now is 47.6 secs Computing kpt #: 147 total cpu time spent up to now is 47.9 secs Computing kpt #: 148 total cpu time spent up to now is 48.5 secs Computing kpt #: 149 total cpu time spent up to now is 49.0 secs Computing kpt #: 150 total cpu time spent up to now is 49.4 secs Computing kpt #: 151 total cpu time spent up to now is 49.8 secs Computing kpt #: 152 total cpu time spent up to now is 50.2 secs Computing kpt #: 153 total cpu time spent up to now is 50.5 secs Computing kpt #: 154 total cpu time spent up to now is 50.9 secs Computing kpt #: 155 total cpu time spent up to now is 51.3 secs Computing kpt #: 156 total cpu time spent up to now is 51.7 secs Computing kpt #: 157 total cpu time spent up to now is 52.0 secs Computing kpt #: 158 total cpu time spent up to now is 52.4 secs Computing kpt #: 159 total cpu time spent up to now is 52.8 secs Computing kpt #: 160 total cpu time spent up to now is 53.1 secs Computing kpt #: 161 total cpu time spent up to now is 53.5 secs Computing kpt #: 162 total cpu time spent up to now is 53.9 secs Computing kpt #: 163 total cpu time spent up to now is 54.2 secs Computing kpt #: 164 total cpu time spent up to now is 54.6 secs Computing kpt #: 165 total cpu time spent up to now is 55.0 secs Computing kpt #: 166 total cpu time spent up to now is 55.3 secs Computing kpt #: 167 total cpu time spent up to now is 55.7 secs Computing kpt #: 168 total cpu time spent up to now is 56.2 secs Computing kpt #: 169 total cpu time spent up to now is 56.6 secs Computing kpt #: 170 total cpu time spent up to now is 56.9 secs Computing kpt #: 171 total cpu time spent up to now is 57.2 secs Computing kpt #: 172 total cpu time spent up to now is 57.5 secs Computing kpt #: 173 total cpu time spent up to now is 57.8 secs Computing kpt #: 174 total cpu time spent up to now is 58.0 secs Computing kpt #: 175 total cpu time spent up to now is 58.3 secs Computing kpt #: 176 total cpu time spent up to now is 58.6 secs Computing kpt #: 177 total cpu time spent up to now is 58.9 secs Computing kpt #: 178 total cpu time spent up to now is 59.1 secs Computing kpt #: 179 total cpu time spent up to now is 59.4 secs Computing kpt #: 180 total cpu time spent up to now is 59.6 secs Computing kpt #: 181 total cpu time spent up to now is 59.9 secs Computing kpt #: 182 total cpu time spent up to now is 60.1 secs Computing kpt #: 183 total cpu time spent up to now is 60.4 secs Computing kpt #: 184 total cpu time spent up to now is 60.6 secs Computing kpt #: 185 total cpu time spent up to now is 60.8 secs Computing kpt #: 186 total cpu time spent up to now is 61.1 secs Computing kpt #: 187 total cpu time spent up to now is 61.3 secs Computing kpt #: 188 total cpu time spent up to now is 61.6 secs Computing kpt #: 189 total cpu time spent up to now is 61.8 secs Computing kpt #: 190 total cpu time spent up to now is 62.1 secs Computing kpt #: 191 total cpu time spent up to now is 62.3 secs Computing kpt #: 192 total cpu time spent up to now is 62.5 secs Computing kpt #: 193 total cpu time spent up to now is 62.8 secs Computing kpt #: 194 total cpu time spent up to now is 63.0 secs Computing kpt #: 195 total cpu time spent up to now is 63.3 secs Computing kpt #: 196 total cpu time spent up to now is 63.5 secs Computing kpt #: 197 total cpu time spent up to now is 63.8 secs Computing kpt #: 198 total cpu time spent up to now is 64.0 secs Computing kpt #: 199 total cpu time spent up to now is 64.3 secs Computing kpt #: 200 total cpu time spent up to now is 64.5 secs Computing kpt #: 201 total cpu time spent up to now is 64.8 secs Computing kpt #: 202 total cpu time spent up to now is 65.1 secs Computing kpt #: 203 total cpu time spent up to now is 65.3 secs Computing kpt #: 204 total cpu time spent up to now is 65.6 secs Computing kpt #: 205 total cpu time spent up to now is 65.8 secs Computing kpt #: 206 total cpu time spent up to now is 66.1 secs Computing kpt #: 207 total cpu time spent up to now is 66.3 secs Computing kpt #: 208 total cpu time spent up to now is 66.6 secs Computing kpt #: 209 total cpu time spent up to now is 66.9 secs Computing kpt #: 210 total cpu time spent up to now is 67.1 secs Computing kpt #: 211 total cpu time spent up to now is 67.4 secs Computing kpt #: 212 total cpu time spent up to now is 67.7 secs Computing kpt #: 213 total cpu time spent up to now is 67.9 secs Computing kpt #: 214 total cpu time spent up to now is 68.2 secs Computing kpt #: 215 total cpu time spent up to now is 68.5 secs Computing kpt #: 216 total cpu time spent up to now is 68.7 secs Computing kpt #: 217 total cpu time spent up to now is 69.0 secs Computing kpt #: 218 total cpu time spent up to now is 69.3 secs Computing kpt #: 219 total cpu time spent up to now is 69.5 secs Computing kpt #: 220 total cpu time spent up to now is 69.8 secs Computing kpt #: 221 total cpu time spent up to now is 70.1 secs Computing kpt #: 222 total cpu time spent up to now is 70.3 secs Computing kpt #: 223 total cpu time spent up to now is 70.6 secs Computing kpt #: 224 total cpu time spent up to now is 70.8 secs Computing kpt #: 225 total cpu time spent up to now is 71.1 secs Computing kpt #: 226 total cpu time spent up to now is 71.4 secs Computing kpt #: 227 total cpu time spent up to now is 71.6 secs Computing kpt #: 228 total cpu time spent up to now is 71.9 secs Computing kpt #: 229 total cpu time spent up to now is 72.2 secs Computing kpt #: 230 total cpu time spent up to now is 72.5 secs Computing kpt #: 231 total cpu time spent up to now is 72.7 secs Computing kpt #: 232 total cpu time spent up to now is 73.0 secs Computing kpt #: 233 total cpu time spent up to now is 73.2 secs Computing kpt #: 234 total cpu time spent up to now is 73.5 secs Computing kpt #: 235 total cpu time spent up to now is 73.8 secs Computing kpt #: 236 total cpu time spent up to now is 74.0 secs Computing kpt #: 237 total cpu time spent up to now is 74.3 secs Computing kpt #: 238 total cpu time spent up to now is 74.5 secs Computing kpt #: 239 total cpu time spent up to now is 74.8 secs Computing kpt #: 240 total cpu time spent up to now is 75.0 secs Computing kpt #: 241 total cpu time spent up to now is 75.2 secs Computing kpt #: 242 total cpu time spent up to now is 75.5 secs Computing kpt #: 243 total cpu time spent up to now is 75.7 secs Computing kpt #: 244 total cpu time spent up to now is 76.0 secs Computing kpt #: 245 total cpu time spent up to now is 76.2 secs Computing kpt #: 246 total cpu time spent up to now is 76.5 secs Computing kpt #: 247 total cpu time spent up to now is 76.7 secs Computing kpt #: 248 total cpu time spent up to now is 77.0 secs Computing kpt #: 249 total cpu time spent up to now is 77.6 secs Computing kpt #: 250 total cpu time spent up to now is 77.8 secs Computing kpt #: 251 total cpu time spent up to now is 78.1 secs Computing kpt #: 252 total cpu time spent up to now is 78.3 secs Computing kpt #: 253 total cpu time spent up to now is 78.6 secs Computing kpt #: 254 total cpu time spent up to now is 78.9 secs Computing kpt #: 255 total cpu time spent up to now is 79.1 secs Computing kpt #: 256 total cpu time spent up to now is 79.4 secs Computing kpt #: 257 total cpu time spent up to now is 79.7 secs Computing kpt #: 258 total cpu time spent up to now is 79.9 secs Computing kpt #: 259 total cpu time spent up to now is 80.2 secs Computing kpt #: 260 total cpu time spent up to now is 80.5 secs Computing kpt #: 261 total cpu time spent up to now is 80.7 secs Computing kpt #: 262 total cpu time spent up to now is 81.0 secs Computing kpt #: 263 total cpu time spent up to now is 81.3 secs Computing kpt #: 264 total cpu time spent up to now is 81.5 secs Computing kpt #: 265 total cpu time spent up to now is 81.8 secs Computing kpt #: 266 total cpu time spent up to now is 82.1 secs Computing kpt #: 267 total cpu time spent up to now is 82.3 secs Computing kpt #: 268 total cpu time spent up to now is 82.6 secs Computing kpt #: 269 total cpu time spent up to now is 82.8 secs Computing kpt #: 270 total cpu time spent up to now is 83.1 secs Computing kpt #: 271 total cpu time spent up to now is 83.3 secs Computing kpt #: 272 total cpu time spent up to now is 83.6 secs Computing kpt #: 273 total cpu time spent up to now is 83.9 secs Computing kpt #: 274 total cpu time spent up to now is 84.1 secs Computing kpt #: 275 total cpu time spent up to now is 84.4 secs Computing kpt #: 276 total cpu time spent up to now is 84.6 secs Computing kpt #: 277 total cpu time spent up to now is 84.8 secs Computing kpt #: 278 total cpu time spent up to now is 85.1 secs Computing kpt #: 279 total cpu time spent up to now is 85.3 secs Computing kpt #: 280 total cpu time spent up to now is 85.6 secs Computing kpt #: 281 total cpu time spent up to now is 85.8 secs Computing kpt #: 282 total cpu time spent up to now is 86.1 secs Computing kpt #: 283 total cpu time spent up to now is 86.3 secs Computing kpt #: 284 total cpu time spent up to now is 86.6 secs Computing kpt #: 285 total cpu time spent up to now is 86.9 secs Computing kpt #: 286 total cpu time spent up to now is 87.1 secs Computing kpt #: 287 total cpu time spent up to now is 87.4 secs Computing kpt #: 288 total cpu time spent up to now is 87.6 secs Computing kpt #: 289 total cpu time spent up to now is 87.9 secs Computing kpt #: 290 total cpu time spent up to now is 88.1 secs Computing kpt #: 291 total cpu time spent up to now is 88.4 secs Computing kpt #: 292 total cpu time spent up to now is 88.7 secs Computing kpt #: 293 total cpu time spent up to now is 88.9 secs Computing kpt #: 294 total cpu time spent up to now is 89.2 secs Computing kpt #: 295 total cpu time spent up to now is 89.4 secs Computing kpt #: 296 total cpu time spent up to now is 89.7 secs Computing kpt #: 297 total cpu time spent up to now is 90.0 secs Computing kpt #: 298 total cpu time spent up to now is 90.2 secs Computing kpt #: 299 total cpu time spent up to now is 90.5 secs Computing kpt #: 300 total cpu time spent up to now is 90.8 secs Computing kpt #: 301 total cpu time spent up to now is 91.0 secs Computing kpt #: 302 total cpu time spent up to now is 91.3 secs Computing kpt #: 303 total cpu time spent up to now is 91.6 secs Computing kpt #: 304 total cpu time spent up to now is 91.8 secs Computing kpt #: 305 total cpu time spent up to now is 92.1 secs Computing kpt #: 306 total cpu time spent up to now is 92.4 secs Computing kpt #: 307 total cpu time spent up to now is 92.6 secs Computing kpt #: 308 total cpu time spent up to now is 92.9 secs Computing kpt #: 309 total cpu time spent up to now is 93.1 secs Computing kpt #: 310 total cpu time spent up to now is 93.4 secs Computing kpt #: 311 total cpu time spent up to now is 93.6 secs Computing kpt #: 312 total cpu time spent up to now is 93.9 secs Computing kpt #: 313 total cpu time spent up to now is 94.2 secs Computing kpt #: 314 total cpu time spent up to now is 94.4 secs Computing kpt #: 315 total cpu time spent up to now is 94.7 secs Computing kpt #: 316 total cpu time spent up to now is 94.9 secs Computing kpt #: 317 total cpu time spent up to now is 95.2 secs Computing kpt #: 318 total cpu time spent up to now is 95.4 secs Computing kpt #: 319 total cpu time spent up to now is 95.7 secs Computing kpt #: 320 total cpu time spent up to now is 95.9 secs Computing kpt #: 321 total cpu time spent up to now is 96.1 secs Computing kpt #: 322 total cpu time spent up to now is 96.4 secs Computing kpt #: 323 total cpu time spent up to now is 96.6 secs Computing kpt #: 324 total cpu time spent up to now is 96.9 secs Computing kpt #: 325 total cpu time spent up to now is 97.1 secs Computing kpt #: 326 total cpu time spent up to now is 97.3 secs Computing kpt #: 327 total cpu time spent up to now is 97.6 secs Computing kpt #: 328 total cpu time spent up to now is 97.8 secs ethr = 2.94E-08, avg # of iterations = 16.4 total cpu time spent up to now is 97.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9558 -35.9558 -35.9558 -35.9558 -3.7367 -3.7367 2.9135 2.9135 2.9135 2.9135 3.3860 3.3860 3.4272 3.4272 3.4272 3.4272 4.9194 4.9194 4.9194 4.9194 4.9751 4.9751 10.2521 10.2521 10.2521 10.2521 10.6429 10.6429 10.6429 10.6429 k = 0.0102-0.0059 0.0083 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9558 -35.9558 -35.9558 -35.9558 -3.7353 -3.7353 2.9085 2.9085 2.9139 2.9139 3.3848 3.3848 3.4244 3.4244 3.4280 3.4280 4.9197 4.9197 4.9216 4.9216 4.9764 4.9764 10.2390 10.2390 10.2525 10.2525 10.6395 10.6395 10.6451 10.6451 k = 0.0204-0.0118 0.0167 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9559 -35.9559 -35.9558 -35.9558 -3.7310 -3.7310 2.8937 2.8937 2.9151 2.9151 3.3798 3.3798 3.4161 3.4161 3.4314 3.4314 4.9200 4.9200 4.9281 4.9281 4.9807 4.9807 10.2005 10.2005 10.2538 10.2538 10.6260 10.6260 10.6518 10.6518 k = 0.0306-0.0177 0.0250 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9682 -35.9682 -35.9559 -35.9559 -35.9558 -35.9558 -3.7238 -3.7238 2.8702 2.8702 2.9170 2.9170 3.3693 3.3693 3.4025 3.4025 3.4385 3.4385 4.9196 4.9196 4.9388 4.9388 4.9886 4.9886 10.1385 10.1385 10.2559 10.2559 10.6019 10.6019 10.6632 10.6632 k = 0.0408-0.0236 0.0333 ( 3479 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2562 -36.2562 -36.2443 -36.2443 -35.9684 -35.9684 -35.9682 -35.9682 -35.9560 -35.9560 -35.9558 -35.9558 -3.7138 -3.7138 2.8393 2.8393 2.9197 2.9197 3.3527 3.3527 3.3839 3.3839 3.4488 3.4488 4.9176 4.9176 4.9533 4.9533 5.0006 5.0006 10.0561 10.0561 10.2589 10.2589 10.5691 10.5691 10.6794 10.6794 k = 0.0510-0.0295 0.0417 ( 3487 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2562 -36.2562 -36.2443 -36.2443 -35.9684 -35.9684 -35.9681 -35.9681 -35.9561 -35.9561 -35.9558 -35.9558 -3.7009 -3.7009 2.8021 2.8021 2.9232 2.9232 3.3309 3.3309 3.3607 3.3607 3.4606 3.4606 4.9136 4.9136 4.9711 4.9711 5.0168 5.0168 9.9569 9.9569 10.2626 10.2626 10.5294 10.5294 10.7005 10.7005 k = 0.0612-0.0353 0.0500 ( 3475 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2561 -36.2561 -36.2444 -36.2444 -35.9684 -35.9684 -35.9679 -35.9679 -35.9563 -35.9563 -35.9558 -35.9558 -3.6852 -3.6852 2.7600 2.7600 2.9275 2.9275 3.3045 3.3045 3.3335 3.3335 3.4724 3.4724 4.9078 4.9078 4.9920 4.9920 5.0366 5.0366 9.8444 9.8444 10.2668 10.2668 10.4847 10.4847 10.7266 10.7266 k = 0.0714-0.0412 0.0583 ( 3479 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2561 -36.2561 -36.2445 -36.2445 -35.9684 -35.9684 -35.9678 -35.9678 -35.9564 -35.9564 -35.9558 -35.9558 -3.6666 -3.6666 2.7138 2.7138 2.9324 2.9324 3.2743 3.2743 3.3025 3.3025 3.4830 3.4830 4.9002 4.9002 5.0153 5.0153 5.0593 5.0593 9.7219 9.7219 10.2713 10.2713 10.4363 10.4363 10.7576 10.7576 k = 0.0816-0.0471 0.0667 ( 3479 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2560 -36.2560 -36.2445 -36.2445 -35.9684 -35.9684 -35.9676 -35.9676 -35.9566 -35.9566 -35.9558 -35.9558 -3.6452 -3.6452 2.6644 2.6644 2.9381 2.9381 3.2408 3.2408 3.2685 3.2685 3.4917 3.4917 4.8910 4.8910 5.0406 5.0406 5.0844 5.0844 9.5922 9.5922 10.2748 10.2748 10.3868 10.3868 10.7936 10.7936 k = 0.0918-0.0530 0.0750 ( 3483 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2560 -36.2560 -36.2446 -36.2446 -35.9684 -35.9684 -35.9675 -35.9675 -35.9568 -35.9568 -35.9558 -35.9558 -3.6210 -3.6210 2.6122 2.6122 2.9445 2.9445 3.2046 3.2046 3.2317 3.2317 3.4976 3.4976 4.8805 4.8805 5.0674 5.0674 5.1113 5.1113 9.4578 9.4578 10.2722 10.2722 10.3423 10.3423 10.8345 10.8345 k = 0.1020-0.0589 0.0833 ( 3475 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2559 -36.2559 -36.2447 -36.2447 -35.9684 -35.9684 -35.9673 -35.9673 -35.9569 -35.9569 -35.9558 -35.9558 -3.5939 -3.5939 2.5579 2.5579 2.9515 2.9515 3.1661 3.1661 3.1928 3.1928 3.5002 3.5002 4.8686 4.8686 5.0954 5.0954 5.1395 5.1395 9.3208 9.3208 10.2467 10.2467 10.3204 10.3204 10.8806 10.8806 k = 0.1122-0.0648 0.0916 ( 3471 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2558 -36.2558 -36.2448 -36.2448 -35.9685 -35.9685 -35.9671 -35.9671 -35.9571 -35.9571 -35.9557 -35.9557 -3.5640 -3.5640 2.5019 2.5019 2.9592 2.9592 3.1258 3.1258 3.1520 3.1520 3.4991 3.4991 4.8556 4.8556 5.1240 5.1240 5.1684 5.1684 9.1827 9.1827 10.1993 10.1993 10.3208 10.3208 10.9316 10.9316 k = 0.1224-0.0707 0.1000 ( 3475 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2557 -36.2557 -36.2449 -36.2449 -35.9685 -35.9685 -35.9670 -35.9670 -35.9573 -35.9573 -35.9557 -35.9557 -3.5314 -3.5314 2.4444 2.4444 2.9675 2.9675 3.0840 3.0840 3.1098 3.1098 3.4937 3.4937 4.8414 4.8414 5.1529 5.1529 5.1978 5.1978 9.0451 9.0451 10.1458 10.1458 10.3283 10.3283 10.9875 10.9875 k = 0.1327-0.0766 0.1083 ( 3475 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2556 -36.2556 -36.2450 -36.2450 -35.9685 -35.9685 -35.9667 -35.9667 -35.9576 -35.9576 -35.9557 -35.9557 -3.4960 -3.4960 2.3859 2.3859 2.9764 2.9764 3.0410 3.0410 3.0666 3.0666 3.4839 3.4839 4.8263 4.8263 5.1818 5.1818 5.2273 5.2273 8.9090 8.9090 10.0911 10.0911 10.3385 10.3385 11.0485 11.0485 k = 0.1429-0.0825 0.1166 ( 3475 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2555 -36.2555 -36.2451 -36.2451 -35.9685 -35.9685 -35.9665 -35.9665 -35.9578 -35.9578 -35.9557 -35.9557 -3.4578 -3.4578 2.3266 2.3266 2.9857 2.9857 2.9973 2.9973 3.0227 3.0227 3.4691 3.4691 4.8102 4.8102 5.2105 5.2105 5.2565 5.2565 8.7755 8.7755 10.0365 10.0365 10.3504 10.3504 11.1146 11.1146 k = 0.1531-0.0884 0.1250 ( 3475 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2555 -36.2555 -36.2452 -36.2452 -35.9686 -35.9686 -35.9663 -35.9663 -35.9581 -35.9581 -35.9556 -35.9556 -3.4169 -3.4169 2.2666 2.2666 2.9531 2.9531 2.9771 2.9771 2.9968 2.9968 3.4492 3.4492 4.7932 4.7932 5.2386 5.2386 5.2853 5.2853 8.6455 8.6455 9.9827 9.9827 10.3635 10.3635 11.1856 11.1856 k = 0.1633-0.0943 0.1333 ( 3479 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2553 -36.2553 -36.2453 -36.2453 -35.9687 -35.9687 -35.9660 -35.9660 -35.9583 -35.9583 -35.9556 -35.9556 -3.3733 -3.3733 2.2063 2.2063 2.9086 2.9086 2.9328 2.9328 3.0068 3.0068 3.4240 3.4240 4.7755 4.7755 5.2661 5.2661 5.3133 5.3133 8.5198 8.5198 9.9301 9.9301 10.3777 10.3777 11.2616 11.2616 k = 0.1735-0.1002 0.1416 ( 3475 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2552 -36.2552 -36.2454 -36.2454 -35.9687 -35.9687 -35.9657 -35.9657 -35.9586 -35.9586 -35.9556 -35.9556 -3.3269 -3.3269 2.1458 2.1458 2.8640 2.8640 2.8880 2.8880 3.0176 3.0176 3.3932 3.3932 4.7571 4.7571 5.2926 5.2926 5.3405 5.3405 8.3990 8.3990 9.8789 9.8789 10.3929 10.3929 11.3426 11.3426 k = 0.1837-0.1060 0.1500 ( 3475 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2551 -36.2551 -36.2456 -36.2456 -35.9688 -35.9688 -35.9655 -35.9655 -35.9589 -35.9589 -35.9555 -35.9555 -3.2779 -3.2779 2.0852 2.0852 2.8195 2.8195 2.8433 2.8433 3.0290 3.0290 3.3567 3.3567 4.7381 4.7381 5.3182 5.3182 5.3667 5.3667 8.2835 8.2835 9.8292 9.8292 10.4092 10.4092 11.4284 11.4284 k = 0.1939-0.1119 0.1583 ( 3487 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2551 -36.2551 -36.2457 -36.2457 -35.9688 -35.9688 -35.9652 -35.9652 -35.9592 -35.9592 -35.9555 -35.9555 -3.2263 -3.2263 2.0247 2.0247 2.7754 2.7754 2.7989 2.7989 3.0407 3.0407 3.3144 3.3144 4.7186 4.7186 5.3426 5.3426 5.3918 5.3918 8.1739 8.1739 9.7812 9.7812 10.4265 10.4265 11.5190 11.5190 k = 0.2041-0.1178 0.1666 ( 3487 PWs) bands (ev): -69.3089 -69.3089 -69.3070 -69.3070 -36.2549 -36.2549 -36.2458 -36.2458 -35.9689 -35.9689 -35.9649 -35.9649 -35.9595 -35.9595 -35.9555 -35.9555 -3.1721 -3.1721 1.9645 1.9645 2.7318 2.7318 2.7551 2.7551 3.0528 3.0528 3.2663 3.2663 4.6987 4.6987 5.3659 5.3659 5.4157 5.4157 8.0706 8.0706 9.7349 9.7349 10.4447 10.4447 11.6143 11.6143 k = 0.2143-0.1237 0.1750 ( 3487 PWs) bands (ev): -69.3088 -69.3088 -69.3070 -69.3070 -36.2548 -36.2548 -36.2460 -36.2460 -35.9689 -35.9689 -35.9646 -35.9646 -35.9598 -35.9598 -35.9555 -35.9555 -3.1153 -3.1153 1.9045 1.9045 2.6887 2.6887 2.7118 2.7118 3.0651 3.0651 3.2125 3.2125 4.6784 4.6784 5.3880 5.3880 5.4383 5.4383 7.9736 7.9736 9.6905 9.6905 10.4638 10.4638 11.7144 11.7172 k = 0.2245-0.1296 0.1833 ( 3495 PWs) bands (ev): -69.3088 -69.3088 -69.3070 -69.3070 -36.2547 -36.2547 -36.2461 -36.2461 -35.9690 -35.9690 -35.9644 -35.9644 -35.9601 -35.9601 -35.9554 -35.9554 -3.0560 -3.0560 1.8448 1.8448 2.6464 2.6464 2.6693 2.6693 3.0777 3.0777 3.1531 3.1531 4.6578 4.6578 5.4088 5.4088 5.4597 5.4597 7.8833 7.8833 9.6478 9.6478 10.4838 10.4838 11.8188 11.8188 k = 0.2347-0.1355 0.1916 ( 3487 PWs) bands (ev): -69.3088 -69.3088 -69.3070 -69.3070 -36.2546 -36.2546 -36.2462 -36.2462 -35.9690 -35.9690 -35.9641 -35.9641 -35.9604 -35.9604 -35.9553 -35.9553 -2.9941 -2.9941 1.7856 1.7856 2.6050 2.6050 2.6277 2.6277 3.0883 3.0883 3.0904 3.0904 4.6371 4.6371 5.4283 5.4283 5.4797 5.4797 7.7997 7.7997 9.6070 9.6070 10.5047 10.5048 11.9277 11.9290 k = 0.2449-0.1414 0.2000 ( 3479 PWs) bands (ev): -69.3088 -69.3088 -69.3071 -69.3071 -36.2545 -36.2545 -36.2464 -36.2464 -35.9691 -35.9691 -35.9637 -35.9637 -35.9608 -35.9608 -35.9553 -35.9553 -2.9299 -2.9299 1.7268 1.7268 2.5645 2.5645 2.5871 2.5871 3.0184 3.0184 3.1033 3.1033 4.6163 4.6163 5.4465 5.4465 5.4985 5.4985 7.7227 7.7227 9.5681 9.5681 10.5265 10.5265 12.0407 12.0417 k = 0.2551-0.1473 0.2083 ( 3479 PWs) bands (ev): -69.3087 -69.3087 -69.3071 -69.3071 -36.2544 -36.2544 -36.2465 -36.2465 -35.9691 -35.9691 -35.9634 -35.9634 -35.9611 -35.9611 -35.9553 -35.9553 -2.8632 -2.8632 1.6685 1.6685 2.5251 2.5251 2.5475 2.5475 2.9438 2.9438 3.1162 3.1162 4.5956 4.5956 5.4635 5.4635 5.5159 5.5159 7.6522 7.6522 9.5310 9.5310 10.5491 10.5491 12.1580 12.1582 k = 0.2653-0.1532 0.2166 ( 3487 PWs) bands (ev): -69.3087 -69.3087 -69.3071 -69.3071 -36.2543 -36.2543 -36.2467 -36.2467 -35.9692 -35.9692 -35.9631 -35.9631 -35.9615 -35.9615 -35.9552 -35.9552 -2.7943 -2.7943 1.6106 1.6106 2.4867 2.4867 2.5090 2.5090 2.8648 2.8648 3.1292 3.1292 4.5749 4.5749 5.4792 5.4792 5.5321 5.5321 7.5882 7.5882 9.4958 9.4958 10.5724 10.5724 12.2787 12.2787 k = 0.2755-0.1591 0.2250 ( 3495 PWs) bands (ev): -69.3087 -69.3087 -69.3071 -69.3071 -36.2542 -36.2542 -36.2469 -36.2469 -35.9693 -35.9693 -35.9628 -35.9628 -35.9618 -35.9618 -35.9552 -35.9552 -2.7231 -2.7231 1.5531 1.5531 2.4496 2.4496 2.4718 2.4718 2.7821 2.7821 3.1422 3.1422 4.5545 4.5545 5.4937 5.4937 5.5471 5.5471 7.5303 7.5303 9.4624 9.4624 10.5964 10.5964 12.4027 12.4030 k = 0.2857-0.1650 0.2333 ( 3491 PWs) bands (ev): -69.3086 -69.3086 -69.3072 -69.3072 -36.2541 -36.2541 -36.2470 -36.2470 -35.9693 -35.9693 -35.9625 -35.9625 -35.9621 -35.9621 -35.9551 -35.9551 -2.6496 -2.6496 1.4958 1.4958 2.4136 2.4136 2.4358 2.4358 2.6963 2.6963 3.1550 3.1550 4.5343 4.5343 5.5071 5.5071 5.5609 5.5609 7.4783 7.4783 9.4309 9.4309 10.6211 10.6211 12.5305 12.5309 k = 0.2959-0.1708 0.2416 ( 3467 PWs) bands (ev): -69.3086 -69.3086 -69.3072 -69.3072 -36.2539 -36.2539 -36.2471 -36.2471 -35.9693 -35.9693 -35.9624 -35.9624 -35.9621 -35.9621 -35.9551 -35.9551 -2.5741 -2.5741 1.4386 1.4386 2.3790 2.3790 2.4013 2.4013 2.6081 2.6081 3.1678 3.1678 4.5145 4.5145 5.5193 5.5193 5.5735 5.5735 7.4318 7.4318 9.4010 9.4010 10.6463 10.6463 12.6618 12.6620 k = 0.3061-0.1767 0.2499 ( 3467 PWs) bands (ev): -69.3086 -69.3086 -69.3072 -69.3072 -36.2538 -36.2538 -36.2473 -36.2473 -35.9694 -35.9694 -35.9627 -35.9627 -35.9618 -35.9618 -35.9550 -35.9550 -2.4966 -2.4966 1.3813 1.3813 2.3457 2.3457 2.3681 2.3681 2.5182 2.5182 3.1803 3.1803 4.4951 4.4951 5.5305 5.5305 5.5851 5.5851 7.3906 7.3906 9.3730 9.3730 10.6720 10.6720 12.7956 12.7959 k = 0.3163-0.1826 0.2583 ( 3463 PWs) bands (ev): -69.3086 -69.3086 -69.3072 -69.3072 -36.2537 -36.2537 -36.2474 -36.2474 -35.9694 -35.9694 -35.9629 -35.9629 -35.9615 -35.9615 -35.9550 -35.9550 -2.4172 -2.4172 1.3237 1.3237 2.3134 2.3134 2.3363 2.3363 2.4277 2.4277 3.1926 3.1926 4.4762 4.4762 5.5407 5.5407 5.5956 5.5956 7.3541 7.3541 9.3466 9.3466 10.6981 10.6981 12.9321 12.9322 k = 0.3265-0.1885 0.2666 ( 3463 PWs) bands (ev): -69.3085 -69.3085 -69.3073 -69.3073 -36.2536 -36.2536 -36.2475 -36.2475 -35.9695 -35.9695 -35.9632 -35.9632 -35.9612 -35.9612 -35.9550 -35.9550 -2.3361 -2.3361 1.2655 1.2655 2.2813 2.2813 2.3061 2.3061 2.3385 2.3385 3.2046 3.2046 4.4578 4.4578 5.5499 5.5499 5.6051 5.6051 7.3222 7.3222 9.3219 9.3219 10.7245 10.7245 13.0706 13.0707 k = 0.3367-0.1944 0.2749 ( 3451 PWs) bands (ev): -69.3085 -69.3085 -69.3073 -69.3073 -36.2535 -36.2535 -36.2476 -36.2476 -35.9695 -35.9695 -35.9635 -35.9635 -35.9610 -35.9610 -35.9549 -35.9549 -2.2533 -2.2533 1.2063 1.2063 2.2350 2.2350 2.2659 2.2659 2.2774 2.2774 3.2162 3.2162 4.4402 4.4402 5.5583 5.5583 5.6137 5.6137 7.2943 7.2943 9.2989 9.2989 10.7509 10.7509 13.2032 13.2032 k = 0.3469-0.2003 0.2833 ( 3451 PWs) bands (ev): -69.3085 -69.3085 -69.3073 -69.3073 -36.2534 -36.2534 -36.2477 -36.2477 -35.9696 -35.9696 -35.9637 -35.9637 -35.9607 -35.9607 -35.9548 -35.9548 -2.1692 -2.1692 1.1458 1.1458 2.1533 2.1533 2.2321 2.2321 2.2503 2.2503 3.2274 3.2274 4.4233 4.4233 5.5658 5.5658 5.6215 5.6215 7.2701 7.2701 9.2774 9.2774 10.7774 10.7774 13.2119 13.2119 k = 0.3571-0.2062 0.2916 ( 3443 PWs) bands (ev): -69.3085 -69.3085 -69.3073 -69.3073 -36.2533 -36.2533 -36.2478 -36.2478 -35.9696 -35.9696 -35.9640 -35.9640 -35.9604 -35.9604 -35.9548 -35.9548 -2.0838 -2.0838 1.0836 1.0836 2.0689 2.0689 2.2055 2.2055 2.2248 2.2248 3.2382 3.2382 4.4071 4.4071 5.5725 5.5725 5.6284 5.6284 7.2492 7.2492 9.2575 9.2575 10.8038 10.8038 13.2181 13.2181 k = 0.3673-0.2121 0.2999 ( 3443 PWs) bands (ev): -69.3084 -69.3084 -69.3073 -69.3073 -36.2532 -36.2532 -36.2480 -36.2480 -35.9696 -35.9696 -35.9642 -35.9642 -35.9602 -35.9602 -35.9548 -35.9548 -1.9975 -1.9975 1.0194 1.0194 1.9876 1.9876 2.1813 2.1813 2.2009 2.2009 3.2485 3.2485 4.3918 4.3918 5.5785 5.5785 5.6347 5.6347 7.2313 7.2313 9.2391 9.2391 10.8297 10.8297 13.2236 13.2236 k = 0.3776-0.2180 0.3083 ( 3451 PWs) bands (ev): -69.3084 -69.3084 -69.3074 -69.3074 -36.2531 -36.2531 -36.2481 -36.2481 -35.9697 -35.9697 -35.9645 -35.9645 -35.9599 -35.9599 -35.9548 -35.9548 -1.9106 -1.9106 0.9528 0.9528 1.9108 1.9108 2.1589 2.1589 2.1787 2.1787 3.2582 3.2582 4.3774 4.3774 5.5839 5.5839 5.6402 5.6402 7.2161 7.2161 9.2223 9.2223 10.8552 10.8552 13.2284 13.2284 k = 0.3878-0.2239 0.3166 ( 3447 PWs) bands (ev): -69.3084 -69.3084 -69.3074 -69.3074 -36.2530 -36.2530 -36.2482 -36.2482 -35.9697 -35.9697 -35.9647 -35.9647 -35.9597 -35.9597 -35.9547 -35.9547 -1.8234 -1.8234 0.8839 0.8839 1.8395 1.8395 2.1383 2.1383 2.1582 2.1582 3.2673 3.2673 4.3639 4.3639 5.5886 5.5886 5.6451 5.6451 7.2033 7.2033 9.2069 9.2069 10.8799 10.8799 13.2328 13.2328 k = 0.3980-0.2298 0.3249 ( 3447 PWs) bands (ev): -69.3084 -69.3084 -69.3074 -69.3074 -36.2529 -36.2529 -36.2483 -36.2483 -35.9697 -35.9697 -35.9649 -35.9649 -35.9595 -35.9595 -35.9547 -35.9547 -1.7365 -1.7365 0.8127 0.8127 1.7743 1.7743 2.1195 2.1195 2.1394 2.1394 3.2758 3.2758 4.3515 4.3515 5.5927 5.5927 5.6494 5.6494 7.1925 7.1925 9.1930 9.1930 10.9036 10.9036 13.2367 13.2367 k = 0.4082-0.2357 0.3333 ( 3447 PWs) bands (ev): -69.3084 -69.3084 -69.3074 -69.3074 -36.2529 -36.2529 -36.2484 -36.2484 -35.9698 -35.9698 -35.9651 -35.9651 -35.9594 -35.9594 -35.9547 -35.9547 -1.6505 -1.6505 0.7398 0.7398 1.7157 1.7157 2.1024 2.1024 2.1223 2.1223 3.2836 3.2836 4.3401 4.3401 5.5963 5.5963 5.6531 5.6531 7.1835 7.1835 9.1804 9.1804 10.9261 10.9261 13.2401 13.2401 k = 0.4184-0.2415 0.3416 ( 3435 PWs) bands (ev): -69.3083 -69.3083 -69.3074 -69.3074 -36.2528 -36.2528 -36.2484 -36.2484 -35.9698 -35.9698 -35.9652 -35.9652 -35.9592 -35.9592 -35.9547 -35.9547 -1.5661 -1.5661 0.6659 0.6659 1.6638 1.6638 2.0871 2.0871 2.1070 2.1070 3.2906 3.2906 4.3298 4.3298 5.5995 5.5995 5.6563 5.6563 7.1761 7.1761 9.1693 9.1693 10.9471 10.9471 13.2431 13.2431 k = 0.4286-0.2474 0.3499 ( 3435 PWs) bands (ev): -69.3083 -69.3083 -69.3074 -69.3074 -36.2528 -36.2528 -36.2485 -36.2485 -35.9698 -35.9698 -35.9653 -35.9653 -35.9590 -35.9590 -35.9546 -35.9546 -1.4843 -1.4843 0.5922 0.5922 1.6187 1.6187 2.0735 2.0735 2.0934 2.0934 3.2970 3.2970 4.3206 4.3206 5.6021 5.6021 5.6591 5.6591 7.1701 7.1701 9.1595 9.1595 10.9665 10.9665 13.2457 13.2457 k = 0.4388-0.2533 0.3583 ( 3443 PWs) bands (ev): -69.3083 -69.3083 -69.3074 -69.3074 -36.2527 -36.2527 -36.2486 -36.2486 -35.9698 -35.9698 -35.9655 -35.9655 -35.9589 -35.9589 -35.9547 -35.9547 -1.4065 -1.4065 0.5203 0.5203 1.5804 1.5804 2.0618 2.0618 2.0817 2.0817 3.3025 3.3025 4.3126 4.3126 5.6044 5.6044 5.6614 5.6614 7.1652 7.1652 9.1511 9.1511 10.9838 10.9838 13.2479 13.2479 k = 0.4490-0.2592 0.3666 ( 3442 PWs) bands (ev): -69.3083 -69.3083 -69.3074 -69.3074 -36.2527 -36.2527 -36.2486 -36.2486 -35.9698 -35.9698 -35.9656 -35.9656 -35.9588 -35.9588 -35.9546 -35.9546 -1.3342 -1.3342 0.4523 0.4523 1.5484 1.5484 2.0518 2.0518 2.0717 2.0717 3.3073 3.3073 4.3058 4.3058 5.6062 5.6062 5.6633 5.6633 7.1614 7.1614 9.1440 9.1440 10.9990 10.9990 13.2498 13.2498 k = 0.4592-0.2651 0.3749 ( 3442 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2527 -36.2527 -36.2487 -36.2487 -35.9699 -35.9699 -35.9657 -35.9657 -35.9587 -35.9587 -35.9546 -35.9546 -1.2695 -1.2695 0.3904 0.3904 1.5228 1.5228 2.0436 2.0436 2.0635 2.0635 3.3112 3.3112 4.3001 4.3001 5.6077 5.6077 5.6649 5.6649 7.1584 7.1584 9.1382 9.1382 11.0117 11.0117 13.2513 13.2513 k = 0.4694-0.2710 0.3833 ( 3446 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2526 -36.2526 -36.2487 -36.2487 -35.9699 -35.9699 -35.9657 -35.9657 -35.9587 -35.9587 -35.9546 -35.9546 -1.2148 -1.2148 0.3376 0.3376 1.5031 1.5031 2.0373 2.0373 2.0572 2.0572 3.3142 3.3142 4.2957 4.2957 5.6089 5.6089 5.6661 5.6661 7.1563 7.1563 9.1337 9.1337 11.0219 11.0219 13.2525 13.2525 k = 0.4796-0.2769 0.3916 ( 3438 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2526 -36.2526 -36.2488 -36.2488 -35.9698 -35.9698 -35.9658 -35.9658 -35.9586 -35.9586 -35.9546 -35.9546 -1.1729 -1.1729 0.2968 0.2968 1.4892 1.4892 2.0328 2.0328 2.0526 2.0526 3.3164 3.3164 4.2926 4.2926 5.6097 5.6097 5.6669 5.6669 7.1548 7.1548 9.1305 9.1305 11.0293 11.0293 13.2533 13.2533 k = 0.4898-0.2828 0.3999 ( 3458 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2526 -36.2526 -36.2488 -36.2488 -35.9698 -35.9698 -35.9659 -35.9659 -35.9586 -35.9586 -35.9547 -35.9547 -1.1465 -1.1465 0.2709 0.2709 1.4809 1.4809 2.0300 2.0300 2.0499 2.0499 3.3177 3.3177 4.2907 4.2907 5.6101 5.6101 5.6674 5.6674 7.1539 7.1539 9.1286 9.1286 11.0337 11.0337 13.2538 13.2538 k = 0.5000-0.2887 0.4082 ( 3442 PWs) bands (ev): -69.3083 -69.3083 -69.3074 -69.3074 -36.2525 -36.2525 -36.2488 -36.2488 -35.9698 -35.9698 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1374 -1.1374 0.2620 0.2620 1.4781 1.4781 2.0291 2.0291 2.0490 2.0490 3.3182 3.3182 4.2901 4.2901 5.6103 5.6103 5.6675 5.6675 7.1536 7.1536 9.1280 9.1280 11.0352 11.0352 13.2540 13.2540 k = 0.5000-0.2887 0.4082 ( 3442 PWs) bands (ev): -69.3083 -69.3083 -69.3074 -69.3074 -36.2525 -36.2525 -36.2488 -36.2488 -35.9698 -35.9698 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1374 -1.1374 0.2620 0.2620 1.4781 1.4781 2.0291 2.0291 2.0490 2.0490 3.3182 3.3182 4.2901 4.2901 5.6103 5.6103 5.6675 5.6675 7.1536 7.1536 9.1280 9.1280 11.0352 11.0352 13.2540 13.2540 k = 0.5000-0.2771 0.4164 ( 3458 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2526 -36.2526 -36.2489 -36.2489 -35.9699 -35.9699 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1361 -1.1361 0.2631 0.2631 1.4638 1.4638 2.0309 2.0309 2.0565 2.0565 3.3193 3.3193 4.2937 4.2937 5.6101 5.6101 5.6673 5.6673 7.1554 7.1554 9.1299 9.1299 11.0295 11.0295 13.2480 13.2480 k = 0.5000-0.2656 0.4246 ( 3452 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2526 -36.2526 -36.2488 -36.2488 -35.9698 -35.9698 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1322 -1.1322 0.2665 0.2665 1.4244 1.4244 2.0236 2.0236 2.0883 2.0883 3.3228 3.3228 4.3043 4.3043 5.6095 5.6095 5.6667 5.6667 7.1611 7.1611 9.1359 9.1359 11.0122 11.0122 13.2301 13.2301 k = 0.5000-0.2540 0.4327 ( 3446 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2525 -36.2525 -36.2488 -36.2488 -35.9698 -35.9698 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1256 -1.1256 0.2720 0.2720 1.3671 1.3671 2.0071 2.0071 2.1373 2.1373 3.3286 3.3286 4.3217 4.3217 5.6085 5.6085 5.6657 5.6657 7.1704 7.1704 9.1459 9.1459 10.9837 10.9837 13.1994 13.1994 k = 0.5000-0.2425 0.4409 ( 3438 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2525 -36.2525 -36.2488 -36.2488 -35.9698 -35.9698 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1165 -1.1165 0.2797 0.2797 1.2985 1.2985 1.9837 1.9837 2.1950 2.1950 3.3369 3.3369 4.3455 4.3455 5.6069 5.6069 5.6644 5.6644 7.1836 7.1836 9.1599 9.1599 10.9443 10.9443 13.1551 13.1551 k = 0.5000-0.2309 0.4491 ( 3446 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2525 -36.2525 -36.2489 -36.2489 -35.9697 -35.9697 -35.9659 -35.9659 -35.9585 -35.9585 -35.9548 -35.9548 -1.1047 -1.1047 0.2897 0.2897 1.2228 1.2228 1.9544 1.9544 2.2564 2.2564 3.3477 3.3477 4.3750 4.3750 5.6048 5.6048 5.6628 5.6628 7.2006 7.2006 9.1780 9.1780 10.8943 10.8943 13.0963 13.0963 k = 0.5000-0.2194 0.4572 ( 3442 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2525 -36.2525 -36.2489 -36.2489 -35.9696 -35.9696 -35.9659 -35.9659 -35.9585 -35.9585 -35.9548 -35.9548 -1.0903 -1.0903 0.3018 0.3018 1.1429 1.1429 1.9198 1.9198 2.3185 2.3185 3.3611 3.3611 4.4097 4.4097 5.6021 5.6021 5.6610 5.6610 7.2216 7.2216 9.2003 9.2003 10.8344 10.8344 13.0226 13.0226 k = 0.5000-0.2078 0.4654 ( 3444 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2524 -36.2524 -36.2489 -36.2489 -35.9696 -35.9696 -35.9659 -35.9659 -35.9585 -35.9585 -35.9549 -35.9549 -1.0733 -1.0733 0.3162 0.3162 1.0603 1.0603 1.8805 1.8805 2.3794 2.3794 3.3773 3.3773 4.4489 4.4489 5.5985 5.5985 5.6590 5.6590 7.2465 7.2465 9.2269 9.2269 10.7651 10.7651 12.9340 12.9340 k = 0.5000-0.1963 0.4736 ( 3444 PWs) bands (ev): -69.3082 -69.3082 -69.3075 -69.3075 -36.2524 -36.2524 -36.2490 -36.2490 -35.9695 -35.9695 -35.9659 -35.9659 -35.9585 -35.9585 -35.9550 -35.9550 -1.0538 -1.0538 0.3327 0.3327 0.9763 0.9763 1.8372 1.8372 2.4375 2.4375 3.3962 3.3962 4.4917 4.4917 5.5940 5.5940 5.6570 5.6570 7.2755 7.2755 9.2578 9.2578 10.6873 10.6873 12.8317 12.8317 k = 0.5000-0.1848 0.4817 ( 3448 PWs) bands (ev): -69.3082 -69.3082 -69.3075 -69.3075 -36.2523 -36.2523 -36.2491 -36.2491 -35.9694 -35.9694 -35.9660 -35.9660 -35.9585 -35.9585 -35.9552 -35.9552 -1.0316 -1.0316 0.3513 0.3513 0.8916 0.8916 1.7905 1.7905 2.4921 2.4921 3.4180 3.4180 4.5377 4.5377 5.5885 5.5885 5.6550 5.6550 7.3086 7.3086 9.2931 9.2931 10.6017 10.6017 12.7173 12.7173 k = 0.5000-0.1732 0.4899 ( 3444 PWs) bands (ev): -69.3082 -69.3082 -69.3075 -69.3075 -36.2522 -36.2522 -36.2491 -36.2491 -35.9692 -35.9692 -35.9660 -35.9660 -35.9584 -35.9584 -35.9553 -35.9553 -1.0069 -1.0069 0.3721 0.3721 0.8067 0.8067 1.7410 1.7410 2.5425 2.5425 3.4423 3.4423 4.5860 4.5860 5.5818 5.5818 5.6532 5.6532 7.3460 7.3460 9.3330 9.3330 10.5093 10.5093 12.5928 12.5928 k = 0.5000-0.1617 0.4981 ( 3440 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2521 -36.2521 -36.2492 -36.2492 -35.9691 -35.9691 -35.9660 -35.9660 -35.9584 -35.9584 -35.9554 -35.9554 -0.9797 -0.9797 0.3950 0.3950 0.7221 0.7221 1.6892 1.6892 2.5882 2.5882 3.4690 3.4690 4.6361 4.6361 5.5738 5.5738 5.6515 5.6515 7.3875 7.3875 9.3775 9.3775 10.4109 10.4109 12.4604 12.4604 k = 0.5000-0.1501 0.5062 ( 3444 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2521 -36.2521 -36.2493 -36.2493 -35.9690 -35.9690 -35.9661 -35.9661 -35.9584 -35.9584 -35.9555 -35.9555 -0.9499 -0.9499 0.4200 0.4200 0.6381 0.6381 1.6355 1.6355 2.6291 2.6291 3.4977 3.4977 4.6873 4.6873 5.5644 5.5644 5.6500 5.6500 7.4333 7.4333 9.4268 9.4268 10.3075 10.3075 12.3221 12.3221 k = 0.5000-0.1386 0.5144 ( 3444 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2520 -36.2520 -36.2493 -36.2493 -35.9689 -35.9689 -35.9661 -35.9661 -35.9584 -35.9584 -35.9556 -35.9556 -0.9176 -0.9176 0.4470 0.4470 0.5550 0.5550 1.5806 1.5806 2.6653 2.6653 3.5279 3.5279 4.7392 4.7392 5.5536 5.5536 5.6488 5.6488 7.4833 7.4833 9.4808 9.4808 10.2001 10.2001 12.1799 12.1799 k = 0.5000-0.1270 0.5226 ( 3442 PWs) bands (ev): -69.3081 -69.3081 -69.3076 -69.3076 -36.2519 -36.2519 -36.2494 -36.2494 -35.9687 -35.9687 -35.9661 -35.9661 -35.9583 -35.9583 -35.9558 -35.9558 -0.8828 -0.8828 0.4691 0.4691 0.4799 0.4799 1.5246 1.5246 2.6969 2.6969 3.5589 3.5589 4.7912 4.7912 5.5412 5.5412 5.6477 5.6477 7.5374 7.5374 9.5397 9.5397 10.0899 10.0899 12.0351 12.0351 k = 0.5000-0.1155 0.5307 ( 3434 PWs) bands (ev): -69.3081 -69.3081 -69.3076 -69.3076 -36.2518 -36.2518 -36.2495 -36.2495 -35.9686 -35.9686 -35.9662 -35.9662 -35.9582 -35.9582 -35.9559 -35.9559 -0.8456 -0.8456 0.3914 0.3914 0.5078 0.5078 1.4681 1.4681 2.7241 2.7241 3.5901 3.5901 4.8430 4.8430 5.5273 5.5273 5.6468 5.6468 7.5953 7.5953 9.6033 9.6033 9.9781 9.9781 11.8892 11.8892 k = 0.5000-0.1039 0.5389 ( 3442 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2517 -36.2517 -36.2496 -36.2496 -35.9684 -35.9684 -35.9663 -35.9663 -35.9582 -35.9582 -35.9561 -35.9561 -0.8060 -0.8060 0.3120 0.3120 0.5409 0.5409 1.4112 1.4112 2.7474 2.7474 3.6208 3.6208 4.8940 4.8940 5.5117 5.5117 5.6460 5.6460 7.6568 7.6568 9.6707 9.6707 9.8668 9.8668 11.7432 11.7432 k = 0.5000-0.0924 0.5471 ( 3442 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2516 -36.2516 -36.2497 -36.2497 -35.9683 -35.9683 -35.9663 -35.9663 -35.9581 -35.9581 -35.9562 -35.9562 -0.7639 -0.7639 0.2341 0.2341 0.5759 0.5759 1.3543 1.3543 2.7671 2.7671 3.6502 3.6502 4.9441 4.9441 5.4944 5.4944 5.6454 5.6454 7.7213 7.7213 9.7208 9.7208 9.7783 9.7783 11.5979 11.5979 k = 0.5000-0.0808 0.5552 ( 3442 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2498 -36.2498 -35.9681 -35.9681 -35.9664 -35.9664 -35.9580 -35.9580 -35.9564 -35.9564 -0.7196 -0.7196 0.1579 0.1579 0.6130 0.6130 1.2976 1.2976 2.7835 2.7835 3.6777 3.6777 4.9929 4.9929 5.4754 5.4754 5.6449 5.6449 7.7881 7.7881 9.6342 9.6342 9.8336 9.8336 11.4542 11.4542 k = 0.5000-0.0693 0.5634 ( 3442 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2499 -36.2499 -35.9680 -35.9680 -35.9665 -35.9665 -35.9580 -35.9580 -35.9565 -35.9565 -0.6731 -0.6731 0.0836 0.0836 0.6518 0.6518 1.2413 1.2413 2.7971 2.7971 3.7028 3.7028 5.0402 5.0402 5.4545 5.4545 5.6445 5.6445 7.8561 7.8561 9.5287 9.5287 9.9166 9.9166 11.3126 11.3126 k = 0.5000-0.0577 0.5715 ( 3438 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2512 -36.2512 -36.2500 -36.2500 -35.9678 -35.9678 -35.9666 -35.9666 -35.9579 -35.9579 -35.9567 -35.9567 -0.6245 -0.6245 0.0114 0.0114 0.6925 0.6925 1.1857 1.1857 2.8081 2.8081 3.7248 3.7248 5.0857 5.0857 5.4318 5.4318 5.6441 5.6441 7.9237 7.9238 9.4274 9.4274 10.0062 10.0062 11.1737 11.1737 k = 0.5000-0.0462 0.5797 ( 3444 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2511 -36.2511 -36.2502 -36.2502 -35.9677 -35.9677 -35.9667 -35.9667 -35.9578 -35.9578 -35.9568 -35.9568 -0.5741 -0.5741 -0.0584 -0.0584 0.7350 0.7350 1.1308 1.1308 2.8168 2.8168 3.7434 3.7434 5.1292 5.1292 5.4072 5.4072 5.6439 5.6439 7.9886 7.9886 9.3342 9.3342 10.1013 10.1013 11.0380 11.0380 k = 0.5000-0.0346 0.5879 ( 3440 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2510 -36.2510 -36.2503 -36.2503 -35.9675 -35.9675 -35.9668 -35.9668 -35.9577 -35.9577 -35.9570 -35.9570 -0.5225 -0.5225 -0.1251 -0.1251 0.7791 0.7791 1.0770 1.0770 2.8233 2.8233 3.7582 3.7582 5.1706 5.1706 5.3807 5.3807 5.6437 5.6437 8.0474 8.0474 9.2530 9.2530 10.2017 10.2017 10.9057 10.9057 k = 0.5000-0.0231 0.5960 ( 3432 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2508 -36.2508 -36.2504 -36.2504 -35.9674 -35.9674 -35.9669 -35.9669 -35.9576 -35.9576 -35.9571 -35.9571 -0.4711 -0.4711 -0.1873 -0.1873 0.8249 0.8249 1.0243 1.0243 2.8278 2.8278 3.7689 3.7689 5.2095 5.2095 5.3526 5.3526 5.6436 5.6436 8.0957 8.0957 9.1885 9.1885 10.3072 10.3072 10.7774 10.7774 k = 0.5000-0.0115 0.6042 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2508 -36.2508 -36.2505 -36.2505 -35.9673 -35.9673 -35.9670 -35.9670 -35.9575 -35.9575 -35.9573 -35.9573 -0.4246 -0.4246 -0.2403 -0.2403 0.8718 0.8718 0.9731 0.9731 2.8305 2.8305 3.7755 3.7755 5.2446 5.2446 5.3239 5.3239 5.6435 5.6435 8.1279 8.1279 9.1464 9.1464 10.4176 10.4176 10.6532 10.6532 k = 0.5000 0.0000 0.6124 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2506 -36.2506 -35.9672 -35.9672 -35.9671 -35.9671 -35.9574 -35.9574 -35.9574 -35.9574 -0.4014 -0.4014 -0.2657 -0.2657 0.9116 0.9116 0.9319 0.9319 2.8314 2.8314 3.7777 3.7777 5.2656 5.2656 5.3051 5.3051 5.6435 5.6435 8.1393 8.1393 9.1317 9.1317 10.5261 10.5261 10.5400 10.5400 k = 0.5000 0.0000 0.6124 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2506 -36.2506 -35.9672 -35.9672 -35.9671 -35.9671 -35.9574 -35.9574 -35.9574 -35.9574 -0.4014 -0.4014 -0.2657 -0.2657 0.9116 0.9116 0.9319 0.9319 2.8314 2.8314 3.7777 3.7777 5.2656 5.2656 5.3051 5.3051 5.6435 5.6435 8.1393 8.1393 9.1317 9.1317 10.5261 10.5261 10.5400 10.5400 k = 0.4931 0.0120 0.6124 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2506 -36.2506 -35.9672 -35.9672 -35.9670 -35.9670 -35.9575 -35.9575 -35.9573 -35.9573 -0.4137 -0.4137 -0.2562 -0.2562 0.8867 0.8867 0.9623 0.9623 2.8311 2.8311 3.7768 3.7768 5.2539 5.2539 5.3159 5.3159 5.6434 5.6434 8.1333 8.1333 9.1384 9.1384 10.4540 10.4540 10.6165 10.6165 k = 0.4861 0.0241 0.6124 ( 3434 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2508 -36.2508 -36.2505 -36.2505 -35.9673 -35.9673 -35.9670 -35.9670 -35.9575 -35.9575 -35.9572 -35.9572 -0.4401 -0.4401 -0.2379 -0.2379 0.8555 0.8555 1.0099 1.0099 2.8300 2.8300 3.7741 3.7741 5.2320 5.2320 5.3352 5.3352 5.6430 5.6430 8.1156 8.1156 9.1581 9.1581 10.3814 10.3814 10.7023 10.7023 k = 0.4792 0.0361 0.6124 ( 3436 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2509 -36.2509 -36.2504 -36.2504 -35.9674 -35.9674 -35.9669 -35.9669 -35.9576 -35.9576 -35.9571 -35.9571 -0.4707 -0.4707 -0.2200 -0.2200 0.8256 0.8256 1.0663 1.0663 2.8279 2.8279 3.7696 3.7696 5.2073 5.2073 5.3556 5.3556 5.6424 5.6424 8.0877 8.0877 9.1896 9.1896 10.3146 10.3146 10.7910 10.7910 k = 0.4722 0.0481 0.6124 ( 3436 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2509 -36.2509 -36.2503 -36.2503 -35.9674 -35.9674 -35.9668 -35.9668 -35.9577 -35.9577 -35.9571 -35.9571 -0.5019 -0.5019 -0.2056 -0.2056 0.7974 0.7974 1.1300 1.1300 2.8248 2.8248 3.7634 3.7634 5.1816 5.1816 5.3755 5.3755 5.6416 5.6416 8.0518 8.0518 9.2309 9.2309 10.2536 10.2536 10.8823 10.8823 k = 0.4653 0.0601 0.6124 ( 3442 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2510 -36.2510 -36.2503 -36.2503 -35.9675 -35.9675 -35.9667 -35.9667 -35.9577 -35.9577 -35.9570 -35.9570 -0.5320 -0.5320 -0.1950 -0.1950 0.7709 0.7709 1.1997 1.1997 2.8203 2.8203 3.7557 3.7557 5.1553 5.1553 5.3947 5.3947 5.6404 5.6404 8.0102 8.0102 9.2798 9.2798 10.1981 10.1981 10.9760 10.9760 k = 0.4583 0.0722 0.6124 ( 3439 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2510 -36.2510 -36.2502 -36.2502 -35.9676 -35.9676 -35.9667 -35.9667 -35.9578 -35.9578 -35.9570 -35.9570 -0.5606 -0.5606 -0.1880 -0.1880 0.7463 0.7463 1.2741 1.2741 2.8144 2.8144 3.7464 3.7464 5.1287 5.1287 5.4130 5.4130 5.6390 5.6390 7.9652 7.9652 9.3341 9.3341 10.1480 10.1480 11.0721 11.0721 k = 0.4514 0.0842 0.6124 ( 3446 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2511 -36.2511 -36.2502 -36.2502 -35.9676 -35.9676 -35.9666 -35.9666 -35.9579 -35.9579 -35.9569 -35.9569 -0.5873 -0.5873 -0.1840 -0.1840 0.7235 0.7235 1.3519 1.3519 2.8067 2.8067 3.7359 3.7359 5.1023 5.1023 5.4304 5.4304 5.6373 5.6373 7.9186 7.9186 9.3919 9.3919 10.1030 10.1030 11.1700 11.1700 k = 0.4444 0.0962 0.6124 ( 3445 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2512 -36.2512 -36.2501 -36.2501 -35.9677 -35.9677 -35.9665 -35.9665 -35.9579 -35.9579 -35.9569 -35.9569 -0.6120 -0.6120 -0.1821 -0.1821 0.7026 0.7026 1.4317 1.4317 2.7971 2.7971 3.7242 3.7242 5.0764 5.0764 5.4468 5.4468 5.6353 5.6353 7.8721 7.8721 9.4514 9.4514 10.0629 10.0629 11.2697 11.2697 k = 0.4375 0.1083 0.6124 ( 3450 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2512 -36.2512 -36.2501 -36.2501 -35.9677 -35.9677 -35.9665 -35.9665 -35.9580 -35.9580 -35.9569 -35.9569 -0.6345 -0.6345 -0.1820 -0.1820 0.6837 0.6837 1.5124 1.5124 2.7853 2.7853 3.7117 3.7117 5.0514 5.0514 5.4622 5.4622 5.6329 5.6329 7.8271 7.8271 9.5110 9.5110 10.0275 10.0275 11.3705 11.3705 k = 0.4306 0.1203 0.6124 ( 3444 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2500 -36.2500 -35.9678 -35.9678 -35.9664 -35.9664 -35.9580 -35.9580 -35.9568 -35.9568 -0.6547 -0.6547 -0.1831 -0.1831 0.6667 0.6667 1.5925 1.5925 2.7714 2.7714 3.6988 3.6988 5.0276 5.0276 5.4765 5.4765 5.6303 5.6303 7.7846 7.7846 9.5692 9.5692 9.9966 9.9966 11.4720 11.4720 k = 0.4236 0.1323 0.6124 ( 3450 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2500 -36.2500 -35.9678 -35.9678 -35.9664 -35.9664 -35.9581 -35.9581 -35.9568 -35.9568 -0.6726 -0.6726 -0.1849 -0.1849 0.6516 0.6516 1.6708 1.6708 2.7552 2.7552 3.6857 3.6857 5.0054 5.0054 5.4898 5.4898 5.6275 5.6275 7.7454 7.7454 9.6245 9.6245 9.9699 9.9699 11.5732 11.5732 k = 0.4167 0.1443 0.6124 ( 3459 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2500 -36.2500 -35.9678 -35.9678 -35.9664 -35.9664 -35.9581 -35.9581 -35.9568 -35.9568 -0.6882 -0.6882 -0.1870 -0.1870 0.6385 0.6385 1.7458 1.7458 2.7370 2.7370 3.6730 3.6730 4.9853 4.9853 5.5019 5.5019 5.6244 5.6244 7.7104 7.7104 9.6757 9.6757 9.9474 9.9474 11.6732 11.6732 k = 0.4097 0.1564 0.6124 ( 3445 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2499 -36.2499 -35.9678 -35.9678 -35.9663 -35.9663 -35.9581 -35.9581 -35.9567 -35.9567 -0.7015 -0.7015 -0.1893 -0.1893 0.6274 0.6274 1.8159 1.8159 2.7172 2.7172 3.6612 3.6612 4.9675 4.9675 5.5128 5.5128 5.6211 5.6211 7.6799 7.6799 9.7213 9.7213 9.9290 9.9290 11.7701 11.7701 k = 0.4028 0.1684 0.6124 ( 3453 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9679 -35.9679 -35.9663 -35.9663 -35.9582 -35.9582 -35.9567 -35.9567 -0.7123 -0.7123 -0.1914 -0.1914 0.6184 0.6184 1.8791 1.8791 2.6968 2.6968 3.6507 3.6507 4.9525 4.9525 5.5223 5.5223 5.6178 5.6178 7.6545 7.6545 9.7599 9.7599 9.9147 9.9147 11.8614 11.8614 k = 0.3958 0.1804 0.6124 ( 3457 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9679 -35.9679 -35.9663 -35.9663 -35.9582 -35.9582 -35.9567 -35.9567 -0.7208 -0.7208 -0.1932 -0.1932 0.6113 0.6113 1.9330 1.9330 2.6772 2.6772 3.6420 3.6420 4.9405 4.9405 5.5303 5.5303 5.6147 5.6147 7.6345 7.6345 9.7904 9.7904 9.9045 9.9045 11.9434 11.9434 k = 0.3889 0.1925 0.6124 ( 3457 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9679 -35.9679 -35.9663 -35.9663 -35.9582 -35.9582 -35.9567 -35.9567 -0.7268 -0.7268 -0.1946 -0.1946 0.6062 0.6062 1.9748 1.9748 2.6604 2.6604 3.6355 3.6355 4.9318 4.9318 5.5365 5.5365 5.6120 5.6120 7.6200 7.6200 9.8117 9.8117 9.8985 9.8985 12.0105 12.0105 k = 0.3819 0.2045 0.6124 ( 3448 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9679 -35.9679 -35.9662 -35.9662 -35.9582 -35.9582 -35.9567 -35.9567 -0.7304 -0.7304 -0.1955 -0.1955 0.6032 0.6032 2.0015 2.0015 2.6489 2.6489 3.6314 3.6314 4.9265 4.9265 5.5404 5.5404 5.6102 5.6102 7.6112 7.6112 9.8238 9.8238 9.8959 9.8959 12.0555 12.0555 k = 0.3750 0.2165 0.6124 ( 3444 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2498 -36.2498 -35.9679 -35.9679 -35.9662 -35.9662 -35.9582 -35.9582 -35.9566 -35.9566 -0.7317 -0.7317 -0.1958 -0.1958 0.6022 0.6022 2.0107 2.0107 2.6448 2.6448 3.6301 3.6301 4.9247 4.9247 5.5417 5.5417 5.6096 5.6096 7.6083 7.6083 9.8276 9.8276 9.8953 9.8953 12.0715 12.0715 k = 0.3750 0.2165 0.6124 ( 3444 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2498 -36.2498 -35.9679 -35.9679 -35.9662 -35.9662 -35.9582 -35.9582 -35.9566 -35.9566 -0.7317 -0.7317 -0.1958 -0.1958 0.6022 0.6022 2.0107 2.0107 2.6448 2.6448 3.6301 3.6301 4.9247 4.9247 5.5417 5.5417 5.6096 5.6096 7.6083 7.6083 9.8276 9.8276 9.8953 9.8953 12.0715 12.0715 k = 0.3678 0.2123 0.6006 ( 3456 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2500 -36.2500 -35.9677 -35.9677 -35.9663 -35.9663 -35.9582 -35.9582 -35.9569 -35.9569 -0.6840 -0.6840 -0.3143 -0.3143 0.6417 0.6417 2.0104 2.0104 2.6719 2.6719 3.6618 3.6618 4.9640 4.9640 5.5329 5.5329 5.6033 5.6033 7.6466 7.6466 9.7423 9.7423 9.9839 9.9839 11.9771 11.9771 k = 0.3606 0.2082 0.5888 ( 3460 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2512 -36.2512 -36.2501 -36.2501 -35.9675 -35.9675 -35.9663 -35.9663 -35.9582 -35.9582 -35.9571 -35.9571 -0.6339 -0.6339 -0.4323 -0.4323 0.6832 0.6832 2.0106 2.0106 2.6982 2.6982 3.6942 3.6942 5.0012 5.0012 5.5235 5.5235 5.5967 5.5967 7.6843 7.6843 9.6490 9.6490 10.0869 10.0869 11.8835 11.8835 k = 0.3534 0.2040 0.5770 ( 3468 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2510 -36.2510 -36.2503 -36.2503 -35.9673 -35.9673 -35.9664 -35.9664 -35.9581 -35.9581 -35.9574 -35.9574 -0.5822 -0.5822 -0.5485 -0.5485 0.7266 0.7266 2.0113 2.0113 2.7237 2.7237 3.7272 3.7272 5.0363 5.0363 5.5135 5.5135 5.5898 5.5898 7.7214 7.7214 9.5564 9.5564 10.1956 10.1956 11.7909 11.7909 k = 0.3462 0.1999 0.5653 ( 3474 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2509 -36.2509 -36.2504 -36.2504 -35.9670 -35.9670 -35.9664 -35.9664 -35.9581 -35.9581 -35.9577 -35.9577 -0.6664 -0.6664 -0.5255 -0.5255 0.7720 0.7720 2.0126 2.0126 2.7484 2.7484 3.7605 3.7605 5.0692 5.0692 5.5030 5.5030 5.5827 5.5827 7.7579 7.7579 9.4654 9.4654 10.3086 10.3086 11.6995 11.6995 k = 0.3389 0.1957 0.5535 ( 3472 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2508 -36.2508 -36.2505 -36.2505 -35.9668 -35.9668 -35.9665 -35.9665 -35.9581 -35.9581 -35.9579 -35.9579 -0.7815 -0.7815 -0.4679 -0.4679 0.8193 0.8193 2.0146 2.0146 2.7724 2.7724 3.7941 3.7941 5.1001 5.1001 5.4919 5.4919 5.5753 5.5753 7.7939 7.7939 9.3764 9.3764 10.4245 10.4245 11.6097 11.6097 k = 0.3317 0.1915 0.5417 ( 3468 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2506 -36.2506 -35.9665 -35.9665 -35.9665 -35.9665 -35.9582 -35.9582 -35.9580 -35.9580 -0.8955 -0.8955 -0.4078 -0.4078 0.8684 0.8684 2.0172 2.0172 2.7957 2.7957 3.8276 3.8276 5.1289 5.1289 5.4803 5.4803 5.5676 5.5676 7.8296 7.8296 9.2899 9.2899 10.5421 10.5421 11.5216 11.5216 k = 0.3245 0.1874 0.5299 ( 3474 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2508 -36.2508 -36.2504 -36.2504 -35.9666 -35.9666 -35.9663 -35.9663 -35.9585 -35.9585 -35.9580 -35.9580 -1.0082 -1.0082 -0.3453 -0.3453 0.9193 0.9193 2.0205 2.0205 2.8182 2.8182 3.8610 3.8610 5.1557 5.1557 5.4681 5.4681 5.5595 5.5595 7.8649 7.8649 9.2062 9.2062 10.6599 10.6599 11.4354 11.4354 k = 0.3173 0.1832 0.5182 ( 3470 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2510 -36.2510 -36.2502 -36.2502 -35.9666 -35.9666 -35.9660 -35.9660 -35.9587 -35.9587 -35.9579 -35.9579 -1.1195 -1.1195 -0.2804 -0.2804 0.9720 0.9720 2.0246 2.0246 2.8399 2.8399 3.8940 3.8940 5.1806 5.1806 5.4555 5.4555 5.5511 5.5511 7.9002 7.9002 9.1256 9.1256 10.7761 10.7761 11.3513 11.3513 k = 0.3101 0.1790 0.5064 ( 3470 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2511 -36.2511 -36.2501 -36.2501 -35.9667 -35.9667 -35.9656 -35.9656 -35.9590 -35.9590 -35.9578 -35.9578 -1.2292 -1.2292 -0.2131 -0.2131 1.0263 1.0263 2.0294 2.0294 2.8607 2.8607 3.9264 3.9264 5.2036 5.2036 5.4425 5.4425 5.5425 5.5425 7.9356 7.9356 9.0484 9.0484 10.8886 10.8886 11.2695 11.2695 k = 0.3029 0.1749 0.4946 ( 3456 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2499 -36.2499 -35.9667 -35.9667 -35.9653 -35.9653 -35.9593 -35.9593 -35.9578 -35.9578 -1.3372 -1.3372 -0.1435 -0.1435 1.0823 1.0823 2.0350 2.0350 2.8807 2.8807 3.9579 3.9579 5.2248 5.2248 5.4290 5.4290 5.5334 5.5334 7.9714 7.9714 8.9750 8.9750 10.9951 10.9951 11.1902 11.1902 k = 0.2957 0.1707 0.4828 ( 3456 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2497 -36.2497 -35.9667 -35.9667 -35.9650 -35.9650 -35.9596 -35.9596 -35.9577 -35.9577 -1.4435 -1.4435 -0.0717 -0.0717 1.1399 1.1399 2.0414 2.0414 2.8998 2.8998 3.9885 3.9885 5.2441 5.2441 5.4151 5.4151 5.5241 5.5241 8.0078 8.0078 8.9057 8.9057 11.0898 11.0898 11.1171 11.1171 k = 0.2885 0.1665 0.4711 ( 3456 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2516 -36.2516 -36.2495 -36.2495 -35.9668 -35.9668 -35.9647 -35.9647 -35.9599 -35.9599 -35.9577 -35.9577 -1.5480 -1.5480 0.0024 0.0024 1.1990 1.1990 2.0487 2.0487 2.9180 2.9180 4.0177 4.0177 5.2617 5.2617 5.4009 5.4009 5.5144 5.5144 8.0451 8.0451 8.8407 8.8407 11.0377 11.0377 11.1825 11.1825 k = 0.2812 0.1624 0.4593 ( 3456 PWs) bands (ev): -69.3081 -69.3081 -69.3076 -69.3076 -36.2517 -36.2517 -36.2493 -36.2493 -35.9669 -35.9669 -35.9644 -35.9644 -35.9602 -35.9602 -35.9576 -35.9576 -1.6506 -1.6506 0.0787 0.0787 1.2595 1.2595 2.0568 2.0568 2.9352 2.9352 4.0455 4.0455 5.2776 5.2776 5.3863 5.3863 5.5044 5.5044 8.0834 8.0834 8.7803 8.7803 10.9665 10.9665 11.2568 11.2568 k = 0.2740 0.1582 0.4475 ( 3460 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2519 -36.2519 -36.2491 -36.2491 -35.9669 -35.9669 -35.9641 -35.9641 -35.9605 -35.9605 -35.9576 -35.9576 -1.7513 -1.7513 0.1570 0.1570 1.3214 1.3214 2.0658 2.0658 2.9514 2.9514 4.0715 4.0715 5.2915 5.2915 5.3715 5.3715 5.4940 5.4940 8.1230 8.1230 8.7249 8.7249 10.8980 10.8980 11.3163 11.3163 k = 0.2668 0.1541 0.4357 ( 3460 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2521 -36.2521 -36.2490 -36.2490 -35.9670 -35.9670 -35.9638 -35.9638 -35.9608 -35.9608 -35.9575 -35.9575 -1.8499 -1.8499 0.2375 0.2375 1.3846 1.3846 2.0756 2.0756 2.9666 2.9666 4.0954 4.0954 5.3036 5.3036 5.3567 5.3567 5.4834 5.4834 8.1642 8.1642 8.6748 8.6748 10.8324 10.8324 11.3599 11.3599 k = 0.2596 0.1499 0.4240 ( 3461 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2522 -36.2522 -36.2488 -36.2488 -35.9670 -35.9670 -35.9635 -35.9635 -35.9611 -35.9611 -35.9574 -35.9574 -1.9464 -1.9464 0.3199 0.3199 1.4490 1.4490 2.0864 2.0864 2.9808 2.9808 4.1172 4.1172 5.3131 5.3131 5.3423 5.3423 5.4724 5.4724 8.2070 8.2070 8.6302 8.6302 10.7700 10.7700 11.3876 11.3876 k = 0.2524 0.1457 0.4122 ( 3463 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2524 -36.2524 -36.2486 -36.2486 -35.9671 -35.9671 -35.9632 -35.9632 -35.9614 -35.9614 -35.9574 -35.9574 -2.0407 -2.0407 0.4043 0.4043 1.5146 1.5146 2.0981 2.0981 2.9939 2.9939 4.1364 4.1364 5.3161 5.3161 5.3324 5.3324 5.4613 5.4613 8.2518 8.2518 8.5914 8.5914 10.7107 10.7107 11.4007 11.4007 k = 0.2452 0.1416 0.4004 ( 3461 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2526 -36.2526 -36.2484 -36.2484 -35.9671 -35.9671 -35.9629 -35.9629 -35.9617 -35.9617 -35.9573 -35.9573 -2.1329 -2.1329 0.4906 0.4906 1.5812 1.5812 2.1107 2.1107 3.0060 3.0060 4.1530 4.1530 5.3056 5.3056 5.3340 5.3340 5.4500 5.4500 8.2987 8.2987 8.5587 8.5587 10.6547 10.6547 11.4010 11.4010 k = 0.2380 0.1374 0.3886 ( 3457 PWs) bands (ev): -69.3084 -69.3084 -69.3074 -69.3074 -36.2527 -36.2527 -36.2482 -36.2482 -35.9672 -35.9672 -35.9625 -35.9625 -35.9620 -35.9620 -35.9573 -35.9573 -2.2228 -2.2228 0.5787 0.5787 1.6487 1.6487 2.1243 2.1243 3.0170 3.0170 4.1666 4.1666 5.2906 5.2906 5.3378 5.3378 5.4386 5.4386 8.3477 8.3477 8.5323 8.5323 10.6020 10.6020 11.3909 11.3909 k = 0.2308 0.1332 0.3768 ( 3459 PWs) bands (ev): -69.3084 -69.3084 -69.3074 -69.3074 -36.2529 -36.2529 -36.2480 -36.2480 -35.9672 -35.9672 -35.9623 -35.9623 -35.9622 -35.9622 -35.9572 -35.9572 -2.3104 -2.3104 0.6685 0.6685 1.7171 1.7171 2.1388 2.1388 3.0270 3.0270 4.1772 4.1772 5.2748 5.2748 5.3402 5.3402 5.4273 5.4273 8.3989 8.3989 8.5125 8.5125 10.5529 10.5529 11.3726 11.3726 k = 0.2236 0.1291 0.3651 ( 3467 PWs) bands (ev): -69.3085 -69.3085 -69.3073 -69.3073 -36.2531 -36.2531 -36.2479 -36.2479 -35.9673 -35.9673 -35.9626 -35.9626 -35.9619 -35.9619 -35.9572 -35.9572 -2.3957 -2.3957 0.7599 0.7599 1.7863 1.7863 2.1543 2.1543 3.0360 3.0360 4.1845 4.1845 5.2588 5.2588 5.3404 5.3404 5.4164 5.4164 8.4515 8.4515 8.5003 8.5003 10.5072 10.5072 11.3479 11.3479 k = 0.2163 0.1249 0.3533 ( 3473 PWs) bands (ev): -69.3085 -69.3085 -69.3073 -69.3073 -36.2532 -36.2532 -36.2477 -36.2477 -35.9673 -35.9673 -35.9629 -35.9629 -35.9616 -35.9616 -35.9571 -35.9571 -2.4786 -2.4786 0.8528 0.8528 1.8560 1.8560 2.1707 2.1707 3.0440 3.0440 4.1885 4.1885 5.2426 5.2426 5.3381 5.3381 5.4059 5.4059 8.4865 8.4865 8.5150 8.5150 10.4652 10.4652 11.3167 11.3167 k = 0.2091 0.1207 0.3415 ( 3469 PWs) bands (ev): -69.3085 -69.3085 -69.3073 -69.3073 -36.2534 -36.2534 -36.2475 -36.2475 -35.9674 -35.9674 -35.9632 -35.9632 -35.9613 -35.9613 -35.9571 -35.9571 -2.5591 -2.5591 0.9471 0.9471 1.9264 1.9264 2.1881 2.1881 3.0511 3.0511 4.1891 4.1891 5.2265 5.2265 5.3332 5.3332 5.3962 5.3962 8.4897 8.4897 8.5709 8.5709 10.4268 10.4268 11.2761 11.2761 k = 0.2019 0.1166 0.3297 ( 3467 PWs) bands (ev): -69.3086 -69.3086 -69.3072 -69.3072 -36.2536 -36.2536 -36.2473 -36.2473 -35.9674 -35.9674 -35.9635 -35.9635 -35.9610 -35.9610 -35.9570 -35.9570 -2.6372 -2.6372 1.0427 1.0427 1.9971 1.9971 2.2064 2.2064 3.0573 3.0573 4.1862 4.1862 5.2103 5.2103 5.3255 5.3255 5.3871 5.3871 8.4971 8.4971 8.6320 8.6320 10.3922 10.3922 11.2310 11.2310 k = 0.1947 0.1124 0.3180 ( 3467 PWs) bands (ev): -69.3086 -69.3086 -69.3072 -69.3072 -36.2537 -36.2537 -36.2471 -36.2471 -35.9675 -35.9675 -35.9638 -35.9638 -35.9607 -35.9607 -35.9569 -35.9569 -2.7127 -2.7127 1.1395 1.1395 2.0681 2.0681 2.2257 2.2257 3.0627 3.0627 4.1799 4.1799 5.1942 5.1942 5.3155 5.3155 5.3784 5.3784 8.5110 8.5110 8.6959 8.6959 10.3613 10.3613 11.1866 11.1866 k = 0.1875 0.1083 0.3062 ( 3471 PWs) bands (ev): -69.3086 -69.3086 -69.3072 -69.3072 -36.2539 -36.2539 -36.2469 -36.2469 -35.9675 -35.9675 -35.9641 -35.9641 -35.9604 -35.9604 -35.9569 -35.9569 -2.7858 -2.7858 1.2374 1.2374 2.1392 2.1392 2.2460 2.2460 3.0673 3.0673 4.1701 4.1701 5.1783 5.1783 5.3035 5.3035 5.3697 5.3697 8.5316 8.5316 8.7624 8.7624 10.3342 10.3342 11.1439 11.1439 k = 0.1803 0.1041 0.2944 ( 3457 PWs) bands (ev): -69.3087 -69.3087 -69.3071 -69.3071 -36.2540 -36.2540 -36.2467 -36.2467 -35.9676 -35.9676 -35.9644 -35.9644 -35.9600 -35.9600 -35.9568 -35.9568 -2.8563 -2.8563 1.3361 1.3361 2.2103 2.2103 2.2673 2.2673 3.0711 3.0711 4.1570 4.1570 5.1625 5.1625 5.2899 5.2899 5.3607 5.3607 8.5589 8.5589 8.8313 8.8313 10.3110 10.3110 11.1032 11.1032 k = 0.1731 0.0999 0.2826 ( 3457 PWs) bands (ev): -69.3087 -69.3087 -69.3071 -69.3071 -36.2542 -36.2542 -36.2465 -36.2465 -35.9676 -35.9676 -35.9646 -35.9646 -35.9597 -35.9597 -35.9567 -35.9567 -2.9242 -2.9242 1.4354 1.4354 2.2806 2.2806 2.2901 2.2901 3.0744 3.0744 4.1406 4.1406 5.1470 5.1470 5.2752 5.2752 5.3509 5.3509 8.5927 8.5927 8.9024 8.9024 10.2917 10.2917 11.0645 11.0645 k = 0.1659 0.0958 0.2709 ( 3467 PWs) bands (ev): -69.3087 -69.3087 -69.3071 -69.3071 -36.2543 -36.2543 -36.2464 -36.2464 -35.9677 -35.9677 -35.9649 -35.9649 -35.9595 -35.9595 -35.9567 -35.9567 -2.9896 -2.9896 1.5353 1.5353 2.3123 2.3123 2.3522 2.3522 3.0771 3.0771 4.1211 4.1211 5.1317 5.1317 5.2596 5.2596 5.3402 5.3402 8.6328 8.6328 8.9756 8.9756 10.2763 10.2763 11.0278 11.0278 k = 0.1587 0.0916 0.2591 ( 3471 PWs) bands (ev): -69.3088 -69.3088 -69.3070 -69.3070 -36.2545 -36.2545 -36.2462 -36.2462 -35.9678 -35.9678 -35.9652 -35.9652 -35.9592 -35.9592 -35.9566 -35.9566 -3.0523 -3.0523 1.6354 1.6354 2.3364 2.3364 2.4223 2.4223 3.0794 3.0794 4.0987 4.0987 5.1167 5.1167 5.2432 5.2432 5.3285 5.3285 8.6792 8.6792 9.0505 9.0505 10.2648 10.2648 10.9929 10.9929 k = 0.1514 0.0874 0.2473 ( 3471 PWs) bands (ev): -69.3088 -69.3088 -69.3070 -69.3070 -36.2547 -36.2547 -36.2460 -36.2460 -35.9678 -35.9678 -35.9655 -35.9655 -35.9589 -35.9589 -35.9565 -35.9565 -3.1124 -3.1124 1.7356 1.7356 2.3613 2.3613 2.4919 2.4919 3.0814 3.0814 4.0736 4.0736 5.1020 5.1020 5.2263 5.2263 5.3156 5.3156 8.7314 8.7314 9.1269 9.1269 10.2572 10.2572 10.9601 10.9601 k = 0.1442 0.0833 0.2355 ( 3465 PWs) bands (ev): -69.3088 -69.3088 -69.3070 -69.3070 -36.2548 -36.2548 -36.2459 -36.2459 -35.9679 -35.9679 -35.9657 -35.9657 -35.9586 -35.9586 -35.9565 -35.9565 -3.1698 -3.1698 1.8356 1.8356 2.3872 2.3872 2.5606 2.5606 3.0832 3.0832 4.0460 4.0460 5.0878 5.0878 5.2089 5.2089 5.3016 5.3016 8.7894 8.7894 9.2046 9.2046 10.2536 10.2536 10.9291 10.9291 k = 0.1370 0.0791 0.2238 ( 3469 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2549 -36.2549 -36.2457 -36.2457 -35.9679 -35.9679 -35.9660 -35.9660 -35.9584 -35.9584 -35.9564 -35.9564 -3.2246 -3.2246 1.9349 1.9349 2.4138 2.4138 2.6284 2.6284 3.0850 3.0850 4.0161 4.0161 5.0739 5.0739 5.1912 5.1912 5.2864 5.2864 8.8527 8.8527 9.2831 9.2831 10.2538 10.2538 10.8999 10.8999 k = 0.1298 0.0749 0.2120 ( 3467 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2551 -36.2551 -36.2456 -36.2456 -35.9679 -35.9679 -35.9662 -35.9662 -35.9582 -35.9582 -35.9564 -35.9564 -3.2766 -3.2766 2.0333 2.0333 2.4413 2.4413 2.6949 2.6949 3.0870 3.0870 3.9841 3.9841 5.0605 5.0605 5.1732 5.1732 5.2701 5.2701 8.9211 8.9211 9.3621 9.3621 10.2578 10.2578 10.8726 10.8726 k = 0.1226 0.0708 0.2002 ( 3465 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2552 -36.2552 -36.2454 -36.2454 -35.9679 -35.9679 -35.9664 -35.9664 -35.9579 -35.9579 -35.9563 -35.9563 -3.3260 -3.3260 2.1304 2.1304 2.4696 2.4696 2.7600 2.7600 3.0893 3.0893 3.9503 3.9503 5.0475 5.0475 5.1550 5.1550 5.2527 5.2527 8.9941 8.9941 9.4411 9.4411 10.2656 10.2656 10.8470 10.8470 k = 0.1154 0.0666 0.1884 ( 3475 PWs) bands (ev): -69.3090 -69.3090 -69.3069 -69.3069 -36.2553 -36.2553 -36.2453 -36.2453 -35.9680 -35.9680 -35.9666 -35.9666 -35.9577 -35.9577 -35.9563 -35.9563 -3.3726 -3.3726 2.2255 2.2255 2.4987 2.4987 2.8235 2.8235 3.0923 3.0923 3.9150 3.9150 5.0350 5.0350 5.1367 5.1367 5.2342 5.2342 9.0715 9.0715 9.5196 9.5196 10.2771 10.2771 10.8231 10.8231 k = 0.1082 0.0625 0.1766 ( 3483 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2554 -36.2554 -36.2452 -36.2452 -35.9680 -35.9680 -35.9668 -35.9668 -35.9575 -35.9575 -35.9562 -35.9562 -3.4164 -3.4164 2.3180 2.3180 2.5284 2.5284 2.8851 2.8851 3.0963 3.0963 3.8783 3.8783 5.0231 5.0231 5.1184 5.1184 5.2147 5.2147 9.1528 9.1528 9.5970 9.5970 10.2922 10.2922 10.8008 10.8008 k = 0.1010 0.0583 0.1649 ( 3487 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2555 -36.2555 -36.2451 -36.2451 -35.9681 -35.9681 -35.9670 -35.9670 -35.9573 -35.9573 -35.9562 -35.9562 -3.4575 -3.4575 2.4073 2.4073 2.5588 2.5588 2.9445 2.9445 3.1019 3.1019 3.8406 3.8406 5.0117 5.0117 5.1001 5.1001 5.1944 5.1944 9.2375 9.2375 9.6727 9.6727 10.3106 10.3106 10.7802 10.7802 k = 0.0938 0.0541 0.1531 ( 3477 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2556 -36.2556 -36.2450 -36.2450 -35.9681 -35.9681 -35.9672 -35.9672 -35.9571 -35.9571 -35.9562 -35.9562 -3.4958 -3.4958 2.4923 2.4923 2.5897 2.5897 3.0013 3.0013 3.1097 3.1097 3.8021 3.8021 5.0009 5.0009 5.0820 5.0820 5.1733 5.1733 9.3252 9.3252 9.7462 9.7462 10.3322 10.3322 10.7613 10.7613 k = 0.0865 0.0500 0.1413 ( 3473 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2557 -36.2557 -36.2449 -36.2449 -35.9681 -35.9681 -35.9673 -35.9673 -35.9569 -35.9569 -35.9561 -35.9561 -3.5313 -3.5313 2.5717 2.5717 2.6210 2.6210 3.0550 3.0550 3.1209 3.1209 3.7631 3.7631 4.9907 4.9907 5.0642 5.0642 5.1516 5.1516 9.4153 9.4153 9.8168 9.8168 10.3567 10.3567 10.7439 10.7439 k = 0.0793 0.0458 0.1295 ( 3477 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2558 -36.2558 -36.2448 -36.2448 -35.9681 -35.9681 -35.9675 -35.9675 -35.9568 -35.9568 -35.9561 -35.9561 -3.5640 -3.5640 2.6443 2.6443 2.6527 2.6527 3.1038 3.1038 3.1380 3.1380 3.7238 3.7238 4.9810 4.9810 5.0469 5.0469 5.1295 5.1295 9.5072 9.5072 9.8836 9.8836 10.3839 10.3839 10.7281 10.7281 k = 0.0721 0.0416 0.1178 ( 3479 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2559 -36.2559 -36.2447 -36.2447 -35.9682 -35.9682 -35.9676 -35.9676 -35.9567 -35.9567 -35.9561 -35.9561 -3.5939 -3.5939 2.6845 2.6845 2.7085 2.7085 3.1411 3.1411 3.1681 3.1681 3.6846 3.6846 4.9720 4.9720 5.0300 5.0300 5.1072 5.1072 9.6000 9.6000 9.9462 9.9462 10.4130 10.4130 10.7138 10.7138 k = 0.0649 0.0375 0.1060 ( 3469 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2559 -36.2559 -36.2446 -36.2446 -35.9682 -35.9682 -35.9677 -35.9677 -35.9565 -35.9565 -35.9560 -35.9560 -3.6210 -3.6210 2.7163 2.7163 2.7628 2.7628 3.1699 3.1699 3.2088 3.2088 3.6459 3.6459 4.9635 4.9635 5.0137 5.0137 5.0853 5.0853 9.6930 9.6930 10.0039 10.0039 10.4440 10.4440 10.7009 10.7009 k = 0.0577 0.0333 0.0942 ( 3473 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2560 -36.2560 -36.2445 -36.2445 -35.9682 -35.9682 -35.9678 -35.9678 -35.9564 -35.9564 -35.9560 -35.9560 -3.6452 -3.6452 2.7477 2.7477 2.8066 2.8066 3.2007 3.2007 3.2493 3.2493 3.6079 3.6079 4.9556 4.9556 4.9981 4.9981 5.0639 5.0639 9.7848 9.7848 10.0562 10.0562 10.4757 10.4757 10.6894 10.6894 k = 0.0505 0.0291 0.0824 ( 3473 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2560 -36.2560 -36.2445 -36.2445 -35.9682 -35.9682 -35.9679 -35.9679 -35.9563 -35.9563 -35.9560 -35.9560 -3.6666 -3.6666 2.7784 2.7784 2.8403 2.8403 3.2350 3.2350 3.2868 3.2868 3.5713 3.5713 4.9483 4.9483 4.9833 4.9833 5.0438 5.0438 9.8743 9.8743 10.1026 10.1026 10.5076 10.5076 10.6794 10.6794 k = 0.0433 0.0250 0.0707 ( 3475 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2561 -36.2561 -36.2444 -36.2444 -35.9683 -35.9683 -35.9680 -35.9680 -35.9562 -35.9562 -35.9559 -35.9559 -3.6852 -3.6852 2.8080 2.8080 2.8652 2.8652 3.2710 3.2710 3.3205 3.3205 3.5365 3.5365 4.9416 4.9416 4.9693 4.9693 5.0255 5.0255 9.9596 9.9596 10.1428 10.1428 10.5387 10.5387 10.6707 10.6707 k = 0.0361 0.0208 0.0589 ( 3483 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2562 -36.2562 -36.2443 -36.2443 -35.9683 -35.9683 -35.9681 -35.9681 -35.9561 -35.9561 -35.9559 -35.9559 -3.7009 -3.7009 2.8358 2.8358 2.8830 2.8830 3.3060 3.3060 3.3501 3.3501 3.5045 3.5045 4.9355 4.9355 4.9563 4.9563 5.0097 5.0097 10.0389 10.0389 10.1766 10.1766 10.5679 10.5679 10.6633 10.6633 k = 0.0288 0.0167 0.0471 ( 3483 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2562 -36.2562 -36.2443 -36.2443 -35.9683 -35.9683 -35.9682 -35.9682 -35.9560 -35.9560 -35.9559 -35.9559 -3.7138 -3.7138 2.8609 2.8609 2.8955 2.8955 3.3371 3.3371 3.3754 3.3754 3.4762 3.4762 4.9301 4.9301 4.9444 4.9444 4.9968 4.9968 10.1095 10.1095 10.2041 10.2041 10.5941 10.5941 10.6572 10.6572 k = 0.0216 0.0125 0.0353 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9559 -35.9559 -35.9558 -35.9558 -3.7238 -3.7238 2.8825 2.8825 2.9040 2.9040 3.3617 3.3617 3.3965 3.3965 3.4531 3.4531 4.9256 4.9256 4.9342 4.9342 4.9871 4.9871 10.1689 10.1689 10.2252 10.2252 10.6160 10.6160 10.6521 10.6521 k = 0.0144 0.0083 0.0236 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9559 -35.9559 -35.9558 -35.9558 -3.7310 -3.7310 2.8992 2.8992 2.9095 2.9095 3.3776 3.3776 3.4129 3.4129 3.4370 3.4370 4.9223 4.9223 4.9262 4.9262 4.9803 4.9803 10.2141 10.2141 10.2402 10.2402 10.6319 10.6319 10.6477 10.6477 k = 0.0072 0.0042 0.0118 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9558 -35.9558 -35.9558 -35.9558 -3.7353 -3.7353 2.9098 2.9098 2.9125 2.9125 3.3846 3.3846 3.4235 3.4235 3.4290 3.4290 4.9201 4.9201 4.9212 4.9212 4.9764 4.9764 10.2424 10.2424 10.2491 10.2491 10.6406 10.6406 10.6442 10.6443 k = 0.0000 0.0000 0.0000 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9558 -35.9558 -35.9558 -35.9558 -3.7367 -3.7367 2.9135 2.9135 2.9135 2.9135 3.3860 3.3860 3.4272 3.4272 3.4272 3.4272 4.9194 4.9194 4.9194 4.9194 4.9751 4.9751 10.2521 10.2521 10.2521 10.2521 10.6429 10.6429 10.6429 10.6429 k = 0.0000 0.0000 0.0000 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9558 -35.9558 -35.9558 -35.9558 -3.7367 -3.7367 2.9135 2.9135 2.9135 2.9135 3.3860 3.3860 3.4272 3.4272 3.4272 3.4272 4.9194 4.9194 4.9194 4.9194 4.9751 4.9751 10.2521 10.2521 10.2521 10.2521 10.6429 10.6429 10.6429 10.6429 k = 0.0116 0.0067 0.0047 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9558 -35.9558 -35.9558 -35.9558 -3.7353 -3.7353 2.9112 2.9112 2.9112 2.9112 3.3845 3.3845 3.4237 3.4237 3.4290 3.4290 4.9204 4.9204 4.9208 4.9208 4.9764 4.9764 10.2458 10.2458 10.2460 10.2460 10.6410 10.6411 10.6439 10.6440 k = 0.0233 0.0134 0.0095 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9559 -35.9559 -35.9558 -35.9558 -3.7311 -3.7311 2.9045 2.9045 2.9045 2.9045 3.3750 3.3750 3.4186 3.4186 3.4343 3.4343 4.9234 4.9234 4.9250 4.9250 4.9801 4.9801 10.2274 10.2274 10.2281 10.2281 10.6339 10.6339 10.6472 10.6472 k = 0.0349 0.0201 0.0142 ( 3479 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2563 -36.2563 -36.2442 -36.2442 -35.9683 -35.9683 -35.9683 -35.9683 -35.9559 -35.9559 -35.9559 -35.9559 -3.7241 -3.7241 2.8937 2.8937 2.8937 2.8937 3.3485 3.3485 3.4209 3.4209 3.4428 3.4428 4.9283 4.9283 4.9316 4.9316 4.9862 4.9862 10.1978 10.1978 10.1991 10.1991 10.6198 10.6198 10.6528 10.6528 k = 0.0465 0.0269 0.0190 ( 3485 PWs) bands (ev): -69.3092 -69.3092 -69.3067 -69.3067 -36.2562 -36.2562 -36.2443 -36.2443 -35.9683 -35.9683 -35.9683 -35.9683 -35.9560 -35.9560 -35.9559 -35.9559 -3.7144 -3.7144 2.8792 2.8792 2.8793 2.8793 3.3063 3.3063 3.4296 3.4296 3.4541 3.4541 4.9351 4.9351 4.9404 4.9404 4.9945 4.9945 10.1582 10.1582 10.1602 10.1602 10.5991 10.5991 10.6608 10.6608 k = 0.0581 0.0336 0.0237 ( 3482 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2562 -36.2562 -36.2443 -36.2443 -35.9682 -35.9682 -35.9682 -35.9682 -35.9560 -35.9560 -35.9559 -35.9559 -3.7018 -3.7018 2.8616 2.8616 2.8616 2.8616 3.2515 3.2515 3.4419 3.4419 3.4677 3.4677 4.9438 4.9438 4.9509 4.9509 5.0048 5.0048 10.1103 10.1103 10.1129 10.1129 10.5724 10.5724 10.6714 10.6714 k = 0.0698 0.0403 0.0285 ( 3479 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2561 -36.2561 -36.2444 -36.2444 -35.9682 -35.9682 -35.9681 -35.9681 -35.9561 -35.9561 -35.9560 -35.9560 -3.6865 -3.6865 2.8413 2.8413 2.8414 2.8414 3.1860 3.1860 3.4566 3.4566 3.4831 3.4831 4.9542 4.9542 4.9627 4.9627 5.0168 5.0168 10.0557 10.0557 10.0587 10.0587 10.5404 10.5404 10.6847 10.6847 k = 0.0814 0.0470 0.0332 ( 3473 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2561 -36.2561 -36.2444 -36.2444 -35.9681 -35.9681 -35.9680 -35.9680 -35.9561 -35.9561 -35.9561 -35.9561 -3.6684 -3.6684 2.8189 2.8189 2.8191 2.8191 3.1109 3.1109 3.4729 3.4729 3.5000 3.5000 4.9662 4.9662 4.9757 4.9757 5.0302 5.0302 9.9958 9.9958 9.9991 9.9991 10.5035 10.5035 10.7006 10.7006 k = 0.0930 0.0537 0.0380 ( 3473 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2560 -36.2560 -36.2445 -36.2445 -35.9680 -35.9680 -35.9680 -35.9680 -35.9562 -35.9562 -35.9561 -35.9561 -3.6475 -3.6475 2.7948 2.7948 2.7951 2.7951 3.0274 3.0274 3.4903 3.4903 3.5179 3.5179 4.9797 4.9797 4.9894 4.9894 5.0445 5.0445 9.9320 9.9320 9.9354 9.9354 10.4627 10.4627 10.7192 10.7192 k = 0.1047 0.0604 0.0427 ( 3479 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2560 -36.2560 -36.2446 -36.2446 -35.9680 -35.9680 -35.9680 -35.9680 -35.9563 -35.9563 -35.9562 -35.9562 -3.6238 -3.6238 2.7694 2.7694 2.7698 2.7698 2.9364 2.9364 3.5084 3.5084 3.5365 3.5365 4.9946 4.9946 5.0038 5.0038 5.0595 5.0595 9.8655 9.8655 9.8688 9.8688 10.4183 10.4183 10.7406 10.7406 k = 0.1163 0.0671 0.0475 ( 3479 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2559 -36.2559 -36.2447 -36.2447 -35.9679 -35.9679 -35.9679 -35.9679 -35.9564 -35.9564 -35.9563 -35.9563 -3.5974 -3.5974 2.7430 2.7430 2.7436 2.7436 2.8388 2.8388 3.5270 3.5270 3.5556 3.5556 5.0107 5.0107 5.0186 5.0186 5.0750 5.0750 9.7972 9.7972 9.8003 9.8003 10.3713 10.3713 10.7647 10.7647 k = 0.1279 0.0738 0.0522 ( 3470 PWs) bands (ev): -69.3091 -69.3091 -69.3067 -69.3067 -36.2558 -36.2558 -36.2448 -36.2448 -35.9678 -35.9678 -35.9678 -35.9678 -35.9565 -35.9565 -35.9564 -35.9564 -3.5682 -3.5682 2.7158 2.7158 2.7166 2.7166 2.7354 2.7354 3.5460 3.5460 3.5750 3.5750 5.0279 5.0279 5.0336 5.0336 5.0909 5.0909 9.7281 9.7281 9.7308 9.7308 10.3222 10.3222 10.7917 10.7917 k = 0.1395 0.0806 0.0570 ( 3470 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2557 -36.2557 -36.2449 -36.2449 -35.9677 -35.9677 -35.9677 -35.9677 -35.9566 -35.9566 -35.9565 -35.9565 -3.5363 -3.5363 2.6268 2.6268 2.6882 2.6882 2.6893 2.6893 3.5650 3.5650 3.5945 3.5945 5.0459 5.0459 5.0484 5.0484 5.1071 5.1071 9.6587 9.6587 9.6608 9.6608 10.2713 10.2713 10.8214 10.8214 k = 0.1512 0.0873 0.0617 ( 3473 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2556 -36.2556 -36.2450 -36.2450 -35.9676 -35.9676 -35.9676 -35.9676 -35.9567 -35.9567 -35.9566 -35.9566 -3.5017 -3.5017 2.5139 2.5139 2.6604 2.6604 2.6616 2.6616 3.5841 3.5841 3.6141 3.6141 5.0627 5.0627 5.0647 5.0647 5.1236 5.1236 9.5897 9.5897 9.5911 9.5911 10.2190 10.2190 10.8540 10.8540 k = 0.1628 0.0940 0.0665 ( 3482 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2555 -36.2555 -36.2451 -36.2451 -35.9676 -35.9676 -35.9675 -35.9675 -35.9568 -35.9568 -35.9567 -35.9567 -3.4643 -3.4643 2.3970 2.3970 2.6324 2.6324 2.6339 2.6339 3.6031 3.6031 3.6335 3.6335 5.0764 5.0764 5.0839 5.0839 5.1405 5.1405 9.5215 9.5215 9.5220 9.5220 10.1655 10.1655 10.8894 10.8894 k = 0.1744 0.1007 0.0712 ( 3482 PWs) bands (ev): -69.3090 -69.3090 -69.3068 -69.3068 -36.2554 -36.2554 -36.2452 -36.2452 -35.9675 -35.9675 -35.9674 -35.9674 -35.9569 -35.9569 -35.9568 -35.9568 -3.4241 -3.4241 2.2768 2.2768 2.6045 2.6045 2.6062 2.6062 3.6220 3.6220 3.6529 3.6529 5.0892 5.0892 5.1036 5.1036 5.1577 5.1577 9.4540 9.4540 9.4545 9.4545 10.1112 10.1112 10.9278 10.9278 k = 0.1860 0.1074 0.0760 ( 3485 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2554 -36.2554 -36.2453 -36.2453 -35.9674 -35.9674 -35.9673 -35.9673 -35.9570 -35.9570 -35.9569 -35.9569 -3.3813 -3.3813 2.1538 2.1538 2.5768 2.5768 2.5788 2.5788 3.6407 3.6407 3.6720 3.6720 5.1010 5.1010 5.1233 5.1233 5.1753 5.1753 9.3874 9.3874 9.3890 9.3890 10.0563 10.0563 10.9690 10.9690 k = 0.1977 0.1141 0.0807 ( 3479 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2552 -36.2552 -36.2454 -36.2454 -35.9673 -35.9673 -35.9672 -35.9672 -35.9572 -35.9572 -35.9571 -35.9571 -3.3358 -3.3358 2.0284 2.0284 2.5494 2.5494 2.5516 2.5516 3.6591 3.6591 3.6909 3.6909 5.1118 5.1118 5.1432 5.1432 5.1931 5.1931 9.3225 9.3225 9.3253 9.3253 10.0009 10.0009 11.0133 11.0133 k = 0.2093 0.1208 0.0854 ( 3482 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2551 -36.2551 -36.2456 -36.2456 -35.9671 -35.9671 -35.9670 -35.9670 -35.9573 -35.9573 -35.9572 -35.9572 -3.2876 -3.2876 1.9010 1.9010 2.5224 2.5224 2.5249 2.5249 3.6773 3.6773 3.7095 3.7095 5.1216 5.1216 5.1628 5.1628 5.2109 5.2109 9.2595 9.2595 9.2636 9.2636 9.9453 9.9453 11.0606 11.0606 k = 0.2209 0.1276 0.0902 ( 3473 PWs) bands (ev): -69.3089 -69.3089 -69.3069 -69.3069 -36.2550 -36.2550 -36.2457 -36.2457 -35.9670 -35.9670 -35.9669 -35.9669 -35.9575 -35.9575 -35.9573 -35.9573 -3.2367 -3.2367 1.7719 1.7719 2.4960 2.4960 2.4987 2.4987 3.6953 3.6953 3.7278 3.7278 5.1305 5.1305 5.1821 5.1821 5.2286 5.2286 9.1986 9.1986 9.2041 9.2041 9.8896 9.8896 11.1110 11.1111 k = 0.2326 0.1343 0.0949 ( 3473 PWs) bands (ev): -69.3088 -69.3088 -69.3070 -69.3070 -36.2548 -36.2548 -36.2459 -36.2459 -35.9668 -35.9668 -35.9668 -35.9668 -35.9576 -35.9576 -35.9575 -35.9575 -3.1831 -3.1831 1.6416 1.6416 2.4701 2.4701 2.4730 2.4730 3.7129 3.7129 3.7458 3.7458 5.1386 5.1386 5.2010 5.2010 5.2460 5.2460 9.1400 9.1400 9.1469 9.1469 9.8340 9.8340 11.1654 11.1659 k = 0.2442 0.1410 0.0997 ( 3461 PWs) bands (ev): -69.3088 -69.3088 -69.3070 -69.3070 -36.2547 -36.2547 -36.2460 -36.2460 -35.9667 -35.9667 -35.9666 -35.9666 -35.9578 -35.9578 -35.9576 -35.9576 -3.1269 -3.1269 1.5102 1.5102 2.4449 2.4449 2.4481 2.4481 3.7302 3.7302 3.7635 3.7635 5.1459 5.1459 5.2192 5.2192 5.2629 5.2629 9.0837 9.0837 9.0923 9.0923 9.7787 9.7787 11.1300 11.1300 k = 0.2558 0.1477 0.1044 ( 3461 PWs) bands (ev): -69.3088 -69.3088 -69.3070 -69.3070 -36.2545 -36.2545 -36.2462 -36.2462 -35.9665 -35.9665 -35.9664 -35.9664 -35.9580 -35.9580 -35.9578 -35.9578 -3.0681 -3.0681 1.3781 1.3781 2.4205 2.4205 2.4238 2.4238 3.7471 3.7471 3.7808 3.7808 5.1526 5.1526 5.2368 5.2368 5.2792 5.2792 9.0299 9.0299 9.0401 9.0401 9.7238 9.7238 11.0852 11.0852 k = 0.2674 0.1544 0.1092 ( 3449 PWs) bands (ev): -69.3087 -69.3087 -69.3071 -69.3071 -36.2543 -36.2543 -36.2463 -36.2463 -35.9663 -35.9663 -35.9662 -35.9662 -35.9581 -35.9581 -35.9580 -35.9580 -3.0067 -3.0067 1.2455 1.2455 2.3969 2.3969 2.4004 2.4004 3.7637 3.7637 3.7978 3.7978 5.1587 5.1587 5.2535 5.2535 5.2948 5.2948 8.9788 8.9788 8.9907 8.9907 9.6697 9.6697 11.0427 11.0427 k = 0.2791 0.1611 0.1139 ( 3452 PWs) bands (ev): -69.3087 -69.3087 -69.3071 -69.3071 -36.2542 -36.2542 -36.2465 -36.2465 -35.9662 -35.9662 -35.9661 -35.9661 -35.9583 -35.9583 -35.9581 -35.9581 -2.9426 -2.9426 1.1128 1.1128 2.3741 2.3741 2.3778 2.3778 3.7799 3.7799 3.8143 3.8143 5.1644 5.1644 5.2692 5.2692 5.3094 5.3094 8.9302 8.9302 8.9438 8.9438 9.6165 9.6165 11.0026 11.0026 k = 0.2907 0.1678 0.1187 ( 3452 PWs) bands (ev): -69.3087 -69.3087 -69.3071 -69.3071 -36.2540 -36.2540 -36.2467 -36.2467 -35.9660 -35.9660 -35.9659 -35.9659 -35.9585 -35.9585 -35.9583 -35.9583 -2.8761 -2.8761 0.9800 0.9800 2.3522 2.3522 2.3562 2.3562 3.7956 3.7956 3.8303 3.8303 5.1695 5.1695 5.2840 5.2840 5.3232 5.3232 8.8843 8.8843 8.8997 8.8997 9.5645 9.5645 10.9652 10.9652 k = 0.3023 0.1745 0.1234 ( 3452 PWs) bands (ev): -69.3086 -69.3086 -69.3072 -69.3072 -36.2538 -36.2538 -36.2469 -36.2469 -35.9658 -35.9658 -35.9657 -35.9657 -35.9587 -35.9587 -35.9585 -35.9585 -2.8069 -2.8069 0.8474 0.8474 2.3314 2.3314 2.3354 2.3354 3.8109 3.8109 3.8459 3.8459 5.1742 5.1742 5.2977 5.2977 5.3359 5.3359 8.8412 8.8412 8.8583 8.8583 9.5138 9.5138 10.9303 10.9303 k = 0.3140 0.1813 0.1282 ( 3452 PWs) bands (ev): -69.3086 -69.3086 -69.3072 -69.3072 -36.2537 -36.2537 -36.2471 -36.2471 -35.9657 -35.9657 -35.9656 -35.9656 -35.9589 -35.9589 -35.9587 -35.9587 -2.7352 -2.7352 0.7151 0.7151 2.3115 2.3115 2.3157 2.3157 3.8257 3.8257 3.8610 3.8610 5.1786 5.1786 5.3104 5.3104 5.3475 5.3475 8.8007 8.8007 8.8197 8.8197 9.4647 9.4647 10.8980 10.8980 k = 0.3256 0.1880 0.1329 ( 3458 PWs) bands (ev): -69.3085 -69.3085 -69.3072 -69.3072 -36.2535 -36.2535 -36.2473 -36.2473 -35.9655 -35.9655 -35.9654 -35.9654 -35.9591 -35.9591 -35.9589 -35.9589 -2.6611 -2.6611 0.5834 0.5834 2.2926 2.2926 2.2970 2.2970 3.8399 3.8399 3.8755 3.8755 5.1827 5.1827 5.3219 5.3219 5.3581 5.3581 8.7630 8.7630 8.7837 8.7837 9.4174 9.4174 10.8682 10.8682 k = 0.3372 0.1947 0.1377 ( 3458 PWs) bands (ev): -69.3085 -69.3085 -69.3073 -69.3073 -36.2533 -36.2533 -36.2475 -36.2475 -35.9653 -35.9653 -35.9652 -35.9652 -35.9593 -35.9593 -35.9591 -35.9591 -2.5844 -2.5844 0.4524 0.4524 2.2748 2.2748 2.2793 2.2793 3.8536 3.8536 3.8894 3.8894 5.1864 5.1864 5.3323 5.3323 5.3677 5.3677 8.7280 8.7280 8.7505 8.7505 9.3721 9.3721 10.8407 10.8407 k = 0.3488 0.2014 0.1424 ( 3452 PWs) bands (ev): -69.3085 -69.3085 -69.3073 -69.3073 -36.2531 -36.2531 -36.2476 -36.2476 -35.9651 -35.9651 -35.9650 -35.9650 -35.9595 -35.9595 -35.9593 -35.9593 -2.5053 -2.5053 0.3223 0.3223 2.2581 2.2581 2.2628 2.2628 3.8666 3.8666 3.9027 3.9027 5.1899 5.1899 5.3417 5.3417 5.3761 5.3761 8.6957 8.6957 8.7199 8.7199 9.3289 9.3289 10.8156 10.8156 k = 0.3605 0.2081 0.1472 ( 3458 PWs) bands (ev): -69.3084 -69.3084 -69.3074 -69.3074 -36.2529 -36.2529 -36.2478 -36.2478 -35.9649 -35.9649 -35.9648 -35.9648 -35.9597 -35.9597 -35.9595 -35.9595 -2.4238 -2.4238 0.1931 0.1931 2.2426 2.2426 2.2473 2.2473 3.8790 3.8790 3.9153 3.9153 5.1931 5.1931 5.3500 5.3500 5.3836 5.3836 8.6661 8.6661 8.6919 8.6919 9.2882 9.2882 10.7928 10.7928 k = 0.3721 0.2148 0.1519 ( 3458 PWs) bands (ev): -69.3084 -69.3084 -69.3074 -69.3074 -36.2527 -36.2527 -36.2481 -36.2481 -35.9648 -35.9648 -35.9646 -35.9646 -35.9600 -35.9600 -35.9597 -35.9597 -2.3399 -2.3399 0.0650 0.0650 2.2282 2.2282 2.2331 2.2331 3.8907 3.8907 3.9272 3.9272 5.1960 5.1960 5.3572 5.3572 5.3901 5.3901 8.6391 8.6391 8.6665 8.6665 9.2500 9.2500 10.7721 10.7721 k = 0.3837 0.2215 0.1567 ( 3458 PWs) bands (ev): -69.3083 -69.3083 -69.3074 -69.3074 -36.2525 -36.2525 -36.2483 -36.2483 -35.9646 -35.9646 -35.9644 -35.9644 -35.9602 -35.9602 -35.9599 -35.9599 -2.2537 -2.2537 -0.0618 -0.0618 2.2150 2.2150 2.2199 2.2199 3.9015 3.9015 3.9382 3.9382 5.1987 5.1987 5.3635 5.3635 5.3957 5.3957 8.6146 8.6146 8.6435 8.6435 9.2146 9.2146 10.7535 10.7535 k = 0.3953 0.2283 0.1614 ( 3449 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2523 -36.2523 -36.2485 -36.2485 -35.9643 -35.9643 -35.9641 -35.9641 -35.9604 -35.9604 -35.9601 -35.9601 -2.1652 -2.1652 -0.1872 -0.1872 2.2030 2.2030 2.2080 2.2080 3.9116 3.9116 3.9485 3.9485 5.2012 5.2012 5.3690 5.3690 5.4005 5.4005 8.5927 8.5927 8.6230 8.6230 9.1821 9.1821 10.7369 10.7369 k = 0.4070 0.2350 0.1661 ( 3462 PWs) bands (ev): -69.3082 -69.3082 -69.3075 -69.3075 -36.2522 -36.2522 -36.2487 -36.2487 -35.9642 -35.9642 -35.9640 -35.9640 -35.9606 -35.9606 -35.9603 -35.9603 -2.0746 -2.0746 -0.3111 -0.3111 2.1922 2.1922 2.1973 2.1973 3.9207 3.9207 3.9578 3.9578 5.2034 5.2034 5.3735 5.3735 5.4045 5.4045 8.5733 8.5733 8.6049 8.6049 9.1526 9.1526 10.7223 10.7223 k = 0.4186 0.2417 0.1709 ( 3468 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2520 -36.2520 -36.2489 -36.2489 -35.9640 -35.9640 -35.9637 -35.9637 -35.9609 -35.9609 -35.9606 -35.9606 -1.9818 -1.9818 -0.4333 -0.4333 2.1826 2.1826 2.1878 2.1878 3.9290 3.9290 3.9661 3.9661 5.2053 5.2053 5.3774 5.3774 5.4078 5.4078 8.5563 8.5563 8.5891 8.5891 9.1262 9.1262 10.7095 10.7095 k = 0.4302 0.2484 0.1756 ( 3468 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2518 -36.2518 -36.2491 -36.2491 -35.9638 -35.9638 -35.9635 -35.9635 -35.9611 -35.9611 -35.9608 -35.9608 -1.8870 -1.8870 -0.5537 -0.5537 2.1743 2.1743 2.1796 2.1796 3.9362 3.9362 3.9735 3.9735 5.2070 5.2070 5.3805 5.3805 5.4104 5.4104 8.5417 8.5417 8.5755 8.5755 9.1032 9.1032 10.6985 10.6985 k = 0.4419 0.2551 0.1804 ( 3468 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2515 -36.2515 -36.2494 -36.2494 -35.9635 -35.9635 -35.9633 -35.9633 -35.9613 -35.9613 -35.9610 -35.9610 -1.7905 -1.7905 -0.6719 -0.6719 2.1672 2.1672 2.1726 2.1726 3.9424 3.9424 3.9798 3.9798 5.2085 5.2085 5.3830 5.3830 5.4126 5.4126 8.5294 8.5294 8.5641 8.5641 9.0834 9.0834 10.6893 10.6893 k = 0.4535 0.2618 0.1851 ( 3462 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2513 -36.2513 -36.2496 -36.2496 -35.9633 -35.9633 -35.9631 -35.9631 -35.9615 -35.9615 -35.9613 -35.9613 -1.6926 -1.6926 -0.7877 -0.7877 2.1615 2.1615 2.1668 2.1668 3.9476 3.9476 3.9850 3.9850 5.2097 5.2097 5.3850 5.3850 5.4142 5.4142 8.5194 8.5194 8.5548 8.5548 9.0672 9.0672 10.6818 10.6818 k = 0.4651 0.2685 0.1899 ( 3453 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2511 -36.2511 -36.2498 -36.2498 -35.9631 -35.9631 -35.9628 -35.9628 -35.9617 -35.9617 -35.9615 -35.9615 -1.5942 -1.5942 -0.9000 -0.9000 2.1570 2.1570 2.1624 2.1624 3.9516 3.9516 3.9892 3.9892 5.2106 5.2106 5.3864 5.3864 5.4154 5.4154 8.5117 8.5117 8.5477 8.5477 9.0545 9.0545 10.6761 10.6761 k = 0.4767 0.2752 0.1946 ( 3450 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2509 -36.2509 -36.2500 -36.2500 -35.9629 -35.9629 -35.9626 -35.9626 -35.9619 -35.9619 -35.9617 -35.9617 -1.4973 -1.4973 -1.0068 -1.0068 2.1537 2.1537 2.1592 2.1592 3.9545 3.9545 3.9921 3.9921 5.2113 5.2113 5.3875 5.3875 5.4162 5.4162 8.5062 8.5062 8.5426 8.5426 9.0454 9.0454 10.6720 10.6720 k = 0.4884 0.2820 0.1994 ( 3444 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2506 -36.2506 -36.2502 -36.2502 -35.9626 -35.9626 -35.9624 -35.9624 -35.9622 -35.9622 -35.9619 -35.9619 -1.4098 -1.4098 -1.1003 -1.1003 2.1518 2.1518 2.1572 2.1572 3.9563 3.9563 3.9939 3.9939 5.2117 5.2117 5.3881 5.3881 5.4167 5.4167 8.5029 8.5029 8.5396 8.5396 9.0400 9.0400 10.6695 10.6695 k = 0.5000 0.2887 0.2041 ( 3444 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2504 -36.2504 -36.2504 -36.2504 -35.9624 -35.9624 -35.9623 -35.9623 -35.9622 -35.9622 -35.9621 -35.9621 -1.3650 -1.3650 -1.1471 -1.1471 2.1512 2.1512 2.1566 2.1566 3.9569 3.9569 3.9945 3.9945 5.2118 5.2118 5.3882 5.3882 5.4169 5.4169 8.5018 8.5018 8.5386 8.5386 9.0381 9.0381 10.6687 10.6687 k = 0.5000 0.2887 0.2041 ( 3444 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2504 -36.2504 -36.2504 -36.2504 -35.9624 -35.9624 -35.9623 -35.9623 -35.9622 -35.9622 -35.9621 -35.9621 -1.3650 -1.3650 -1.1471 -1.1471 2.1512 2.1512 2.1566 2.1566 3.9569 3.9569 3.9945 3.9945 5.2118 5.2118 5.3882 5.3882 5.4169 5.4169 8.5018 8.5018 8.5386 8.5386 9.0381 9.0381 10.6687 10.6687 k = 0.5042 0.2766 0.2109 ( 3444 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2504 -36.2504 -36.2504 -36.2504 -35.9625 -35.9625 -35.9625 -35.9625 -35.9620 -35.9620 -35.9620 -35.9620 -1.3636 -1.3636 -1.1461 -1.1461 2.1498 2.1498 2.1555 2.1555 3.9534 3.9534 3.9913 3.9913 5.2139 5.2139 5.3882 5.3882 5.4170 5.4170 8.4956 8.4956 8.5348 8.5348 9.0554 9.0554 10.6719 10.6719 k = 0.5083 0.2646 0.2177 ( 3447 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9627 -35.9627 -35.9627 -35.9627 -35.9618 -35.9618 -35.9618 -35.9618 -1.3597 -1.3597 -1.1431 -1.1431 2.1449 2.1449 2.1534 2.1534 3.9411 3.9411 3.9842 3.9842 5.2199 5.2199 5.3880 5.3880 5.4173 5.4173 8.4704 8.4704 8.5339 8.5339 9.1030 9.1030 10.6815 10.6815 k = 0.5125 0.2526 0.2245 ( 3451 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9630 -35.9630 -35.9629 -35.9629 -35.9616 -35.9616 -35.9616 -35.9616 -1.3530 -1.3530 -1.1381 -1.1381 2.1354 2.1354 2.1510 2.1510 3.9165 3.9165 3.9772 3.9772 5.2291 5.2291 5.3875 5.3875 5.4180 5.4180 8.4292 8.4292 8.5414 8.5414 9.1726 9.1726 10.6972 10.6972 k = 0.5167 0.2406 0.2313 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9632 -35.9632 -35.9632 -35.9632 -35.9614 -35.9614 -35.9614 -35.9614 -1.3438 -1.3438 -1.1311 -1.1311 2.1215 2.1215 2.1481 2.1481 3.8800 3.8800 3.9712 3.9712 5.2405 5.2405 5.3869 5.3869 5.4194 5.4194 8.3811 8.3811 8.5545 8.5545 9.2568 9.2568 10.7188 10.7188 k = 0.5208 0.2285 0.2381 ( 3466 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9634 -35.9634 -35.9634 -35.9634 -35.9612 -35.9612 -35.9612 -35.9612 -1.3319 -1.3319 -1.1221 -1.1221 2.1032 2.1032 2.1447 2.1447 3.8337 3.8337 3.9654 3.9654 5.2529 5.2529 5.3862 5.3862 5.4218 5.4218 8.3313 8.3313 8.5721 8.5721 9.3511 9.3511 10.7458 10.7458 k = 0.5250 0.2165 0.2449 ( 3470 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9636 -35.9636 -35.9636 -35.9636 -35.9610 -35.9610 -35.9610 -35.9610 -1.3174 -1.3174 -1.1112 -1.1112 2.0806 2.0806 2.1406 2.1406 3.7797 3.7797 3.9591 3.9591 5.2647 5.2647 5.3860 5.3860 5.4253 5.4253 8.2822 8.2822 8.5938 8.5938 9.4524 9.4524 10.7775 10.7775 k = 0.5292 0.2045 0.2518 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9638 -35.9638 -35.9638 -35.9638 -35.9608 -35.9608 -35.9608 -35.9608 -1.3003 -1.3003 -1.0983 -1.0983 2.0535 2.0535 2.1359 2.1359 3.7199 3.7199 3.9523 3.9523 5.2744 5.2744 5.3870 5.3870 5.4299 5.4299 8.2351 8.2351 8.6194 8.6194 9.5586 9.5586 10.8128 10.8128 k = 0.5333 0.1925 0.2586 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9641 -35.9641 -35.9640 -35.9640 -35.9606 -35.9606 -35.9605 -35.9605 -1.2807 -1.2807 -1.0835 -1.0835 2.0217 2.0217 2.1307 2.1307 3.6557 3.6557 3.9446 3.9446 5.2805 5.2805 5.3899 5.3899 5.4358 5.4358 8.1905 8.1905 8.6489 8.6489 9.6681 9.6681 10.8505 10.8505 k = 0.5375 0.1804 0.2654 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9643 -35.9643 -35.9642 -35.9642 -35.9604 -35.9604 -35.9603 -35.9603 -1.2585 -1.2585 -1.0669 -1.0669 1.9852 1.9852 2.1250 2.1250 3.5887 3.5887 3.9363 3.9363 5.2823 5.2823 5.3951 5.3951 5.4430 5.4430 8.1488 8.1488 8.6819 8.6819 9.7793 9.7793 10.8888 10.8888 k = 0.5417 0.1684 0.2722 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9645 -35.9645 -35.9644 -35.9644 -35.9602 -35.9602 -35.9601 -35.9601 -1.2338 -1.2338 -1.0484 -1.0484 1.9436 1.9436 2.1188 2.1188 3.5200 3.5200 3.9271 3.9271 5.2797 5.2797 5.4022 5.4022 5.4515 5.4515 8.1098 8.1098 8.7184 8.7184 9.8909 9.8909 10.9255 10.9255 k = 0.5458 0.1564 0.2790 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9647 -35.9647 -35.9646 -35.9646 -35.9600 -35.9600 -35.9599 -35.9599 -1.2066 -1.2066 -1.0280 -1.0280 1.8969 1.8969 2.1122 2.1122 3.4509 3.4509 3.9172 3.9172 5.2736 5.2736 5.4102 5.4102 5.4611 5.4611 8.0735 8.0735 8.7583 8.7583 10.0016 10.0016 10.9582 10.9582 k = 0.5500 0.1443 0.2858 ( 3462 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2504 -36.2504 -35.9649 -35.9649 -35.9648 -35.9648 -35.9598 -35.9598 -35.9597 -35.9597 -1.1771 -1.1771 -1.0059 -1.0059 1.8451 1.8451 2.1053 2.1053 3.3824 3.3824 3.9066 3.9066 5.2646 5.2646 5.4186 5.4186 5.4716 5.4716 8.0396 8.0396 8.8013 8.8013 10.1098 10.1098 10.9848 10.9848 k = 0.5542 0.1323 0.2926 ( 3458 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2504 -36.2504 -35.9651 -35.9651 -35.9649 -35.9649 -35.9596 -35.9596 -35.9595 -35.9595 -1.1453 -1.1453 -0.9820 -0.9820 1.7880 1.7880 2.0981 2.0981 3.3153 3.3153 3.8953 3.8953 5.2535 5.2535 5.4269 5.4269 5.4826 5.4826 8.0080 8.0080 8.8473 8.8473 10.2134 10.2134 11.0043 11.0043 k = 0.5583 0.1203 0.2994 ( 3457 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2504 -36.2504 -35.9653 -35.9653 -35.9651 -35.9651 -35.9595 -35.9595 -35.9593 -35.9593 -1.1113 -1.1113 -0.9564 -0.9564 1.7259 1.7259 2.0908 2.0908 3.2504 3.2504 3.8833 3.8833 5.2406 5.2406 5.4350 5.4350 5.4939 5.4939 7.9784 7.9784 8.8961 8.8961 10.3097 10.3097 11.0174 11.0174 k = 0.5625 0.1083 0.3062 ( 3459 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2504 -36.2504 -35.9655 -35.9655 -35.9652 -35.9652 -35.9593 -35.9593 -35.9591 -35.9591 -1.0754 -1.0754 -0.9291 -0.9291 1.6590 1.6590 2.0834 2.0834 3.1882 3.1882 3.8707 3.8707 5.2264 5.2264 5.4429 5.4429 5.5050 5.5050 7.9505 7.9505 8.9474 8.9474 10.3944 10.3944 11.0279 11.0279 k = 0.5667 0.0962 0.3130 ( 3469 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2504 -36.2504 -35.9657 -35.9657 -35.9654 -35.9654 -35.9592 -35.9592 -35.9589 -35.9589 -1.0376 -1.0376 -0.9000 -0.9000 1.5875 1.5875 2.0759 2.0759 3.1292 3.1292 3.8576 3.8576 5.2110 5.2110 5.4505 5.4505 5.5158 5.5158 7.9240 7.9240 9.0011 9.0011 10.4615 10.4615 11.0426 11.0426 k = 0.5708 0.0842 0.3198 ( 3463 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2504 -36.2504 -35.9659 -35.9659 -35.9655 -35.9655 -35.9590 -35.9590 -35.9587 -35.9587 -0.9983 -0.9983 -0.8691 -0.8691 1.5119 1.5119 2.0685 2.0685 3.0737 3.0737 3.8438 3.8438 5.1946 5.1946 5.4581 5.4581 5.5261 5.5261 7.8988 7.8988 9.0568 9.0568 10.5040 10.5040 11.0701 11.0701 k = 0.5750 0.0722 0.3266 ( 3459 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2508 -36.2508 -36.2504 -36.2504 -35.9661 -35.9661 -35.9656 -35.9656 -35.9589 -35.9589 -35.9585 -35.9585 -0.9581 -0.9581 -0.8362 -0.8362 1.4329 1.4329 2.0612 2.0612 3.0217 3.0217 3.8296 3.8296 5.1773 5.1773 5.4655 5.4655 5.5358 5.5358 7.8746 7.8746 9.1144 9.1144 10.5178 10.5178 11.1165 11.1165 k = 0.5792 0.0601 0.3334 ( 3457 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2508 -36.2508 -36.2503 -36.2503 -35.9663 -35.9663 -35.9657 -35.9657 -35.9588 -35.9588 -35.9584 -35.9584 -0.9176 -0.9176 -0.8008 -0.8008 1.3512 1.3512 2.0542 2.0542 2.9733 2.9733 3.8149 3.8149 5.1593 5.1593 5.4728 5.4728 5.5449 5.5449 7.8512 7.8512 9.1735 9.1735 10.5051 10.5051 11.1814 11.1814 k = 0.5833 0.0481 0.3402 ( 3454 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2508 -36.2508 -36.2503 -36.2503 -35.9664 -35.9664 -35.9658 -35.9658 -35.9587 -35.9587 -35.9582 -35.9582 -0.8778 -0.8778 -0.7626 -0.7626 1.2675 1.2675 2.0474 2.0474 2.9285 2.9285 3.7997 3.7997 5.1405 5.1405 5.4799 5.4799 5.5534 5.5534 7.8284 7.8284 9.2339 9.2339 10.4723 10.4723 11.2601 11.2601 k = 0.5875 0.0361 0.3470 ( 3452 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2509 -36.2509 -36.2503 -36.2503 -35.9666 -35.9666 -35.9659 -35.9659 -35.9585 -35.9585 -35.9580 -35.9580 -0.8396 -0.8396 -0.7210 -0.7210 1.1828 1.1828 2.0410 2.0410 2.8871 2.8871 3.7841 3.7841 5.1211 5.1211 5.4869 5.4869 5.5613 5.5613 7.8060 7.8060 9.2953 9.2953 10.4261 10.4261 11.3471 11.3471 k = 0.5917 0.0241 0.3538 ( 3452 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2509 -36.2509 -36.2503 -36.2503 -35.9668 -35.9668 -35.9660 -35.9660 -35.9585 -35.9585 -35.9579 -35.9579 -0.8043 -0.8043 -0.6754 -0.6754 1.0983 1.0983 2.0350 2.0350 2.8490 2.8490 3.7682 3.7682 5.1011 5.1011 5.4938 5.4938 5.5685 5.5685 7.7840 7.7840 9.3572 9.3572 10.3715 10.3715 11.4383 11.4383 k = 0.5958 0.0120 0.3606 ( 3458 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2510 -36.2510 -36.2502 -36.2502 -35.9669 -35.9669 -35.9661 -35.9661 -35.9584 -35.9584 -35.9577 -35.9577 -0.7727 -0.7727 -0.6259 -0.6259 1.0152 1.0152 2.0295 2.0295 2.8141 2.8141 3.7518 3.7518 5.0805 5.0805 5.5006 5.5006 5.5753 5.5753 7.7621 7.7621 9.4195 9.4195 10.3119 10.3119 11.5308 11.5308 k = 0.6000 0.0000 0.3674 ( 3466 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2511 -36.2511 -36.2502 -36.2502 -35.9671 -35.9671 -35.9661 -35.9661 -35.9584 -35.9584 -35.9576 -35.9576 -0.7456 -0.7456 -0.5726 -0.5726 0.9347 0.9347 2.0246 2.0246 2.7821 2.7821 3.7352 3.7352 5.0594 5.0594 5.5071 5.5071 5.5815 5.5815 7.7403 7.7403 9.4818 9.4818 10.2495 10.2495 11.6223 11.6223 k = 0.6042-0.0120 0.3742 ( 3458 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2511 -36.2511 -36.2502 -36.2502 -35.9673 -35.9673 -35.9662 -35.9662 -35.9583 -35.9583 -35.9574 -35.9574 -0.7237 -0.7237 -0.5160 -0.5160 0.8584 0.8584 2.0203 2.0203 2.7529 2.7529 3.7183 3.7183 5.0379 5.0379 5.5135 5.5135 5.5872 5.5872 7.7185 7.7185 9.5438 9.5438 10.1861 10.1861 11.7111 11.7111 k = 0.6083-0.0241 0.3810 ( 3460 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2512 -36.2512 -36.2501 -36.2501 -35.9674 -35.9674 -35.9662 -35.9662 -35.9583 -35.9583 -35.9572 -35.9572 -0.7080 -0.7080 -0.4564 -0.4564 0.7881 0.7881 2.0168 2.0168 2.7265 2.7265 3.7011 3.7011 5.0159 5.0159 5.5196 5.5196 5.5925 5.5925 7.6967 7.6967 9.6050 9.6050 10.1229 10.1229 11.7957 11.7957 k = 0.6125-0.0361 0.3878 ( 3458 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2512 -36.2512 -36.2501 -36.2501 -35.9675 -35.9675 -35.9663 -35.9663 -35.9582 -35.9582 -35.9571 -35.9571 -0.6997 -0.6997 -0.3943 -0.3943 0.7255 0.7256 2.0140 2.0140 2.7025 2.7025 3.6836 3.6836 4.9936 4.9936 5.5256 5.5256 5.5973 5.5973 7.6747 7.6747 9.6652 9.6652 10.0607 10.0607 11.8748 11.8748 k = 0.6167-0.0481 0.3946 ( 3458 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2500 -36.2500 -35.9677 -35.9677 -35.9663 -35.9663 -35.9582 -35.9582 -35.9569 -35.9569 -0.7001 -0.7001 -0.3299 -0.3299 0.6726 0.6726 2.0120 2.0120 2.6810 2.6810 3.6660 3.6660 4.9709 4.9709 5.5312 5.5312 5.6018 5.6018 7.6527 7.6527 9.7239 9.7239 10.0004 10.0004 11.9475 11.9475 k = 0.6208-0.0601 0.4014 ( 3456 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9678 -35.9678 -35.9663 -35.9663 -35.9582 -35.9582 -35.9568 -35.9568 -0.7105 -0.7105 -0.2637 -0.2637 0.6311 0.6311 2.0109 2.0109 2.6618 2.6618 3.6481 3.6481 4.9479 4.9479 5.5366 5.5366 5.6058 5.6058 7.6305 7.6305 9.7800 9.7800 9.9432 9.9432 12.0132 12.0132 k = 0.6250-0.0722 0.4082 ( 3444 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2498 -36.2498 -35.9679 -35.9679 -35.9662 -35.9662 -35.9582 -35.9582 -35.9566 -35.9566 -0.7317 -0.7317 -0.1958 -0.1958 0.6022 0.6022 2.0107 2.0107 2.6448 2.6448 3.6301 3.6301 4.9247 4.9247 5.5417 5.5417 5.6096 5.6096 7.6083 7.6083 9.8276 9.8276 9.8953 9.8953 12.0715 12.0715 k = 0.6250-0.0722 0.4082 ( 3444 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2498 -36.2498 -35.9679 -35.9679 -35.9662 -35.9662 -35.9582 -35.9582 -35.9566 -35.9566 -0.7317 -0.7317 -0.1958 -0.1958 0.6022 0.6022 2.0107 2.0107 2.6448 2.6448 3.6301 3.6301 4.9247 4.9247 5.5417 5.5417 5.6096 5.6096 7.6083 7.6083 9.8276 9.8276 9.8953 9.8953 12.0715 12.0715 k = 0.6181-0.0682 0.4196 ( 3448 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9679 -35.9679 -35.9662 -35.9662 -35.9582 -35.9582 -35.9567 -35.9567 -0.7304 -0.7304 -0.1955 -0.1955 0.6032 0.6032 2.0015 2.0015 2.6489 2.6489 3.6314 3.6314 4.9265 4.9265 5.5404 5.5404 5.6102 5.6102 7.6112 7.6112 9.8238 9.8238 9.8959 9.8959 12.0555 12.0555 k = 0.6111-0.0642 0.4309 ( 3457 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9679 -35.9679 -35.9663 -35.9663 -35.9582 -35.9582 -35.9567 -35.9567 -0.7268 -0.7268 -0.1946 -0.1946 0.6062 0.6062 1.9748 1.9748 2.6604 2.6604 3.6355 3.6355 4.9318 4.9318 5.5365 5.5365 5.6120 5.6120 7.6200 7.6200 9.8117 9.8117 9.8985 9.8985 12.0105 12.0105 k = 0.6042-0.0601 0.4423 ( 3457 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9679 -35.9679 -35.9663 -35.9663 -35.9582 -35.9582 -35.9567 -35.9567 -0.7208 -0.7208 -0.1932 -0.1932 0.6113 0.6113 1.9330 1.9330 2.6772 2.6772 3.6420 3.6420 4.9405 4.9405 5.5303 5.5303 5.6147 5.6147 7.6345 7.6345 9.7904 9.7904 9.9045 9.9045 11.9434 11.9434 k = 0.5972-0.0561 0.4536 ( 3453 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9679 -35.9679 -35.9663 -35.9663 -35.9582 -35.9582 -35.9567 -35.9567 -0.7123 -0.7123 -0.1914 -0.1914 0.6184 0.6184 1.8791 1.8791 2.6968 2.6968 3.6507 3.6507 4.9525 4.9525 5.5223 5.5223 5.6178 5.6178 7.6545 7.6545 9.7599 9.7599 9.9147 9.9147 11.8614 11.8614 k = 0.5903-0.0521 0.4649 ( 3445 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2499 -36.2499 -35.9678 -35.9678 -35.9663 -35.9663 -35.9581 -35.9581 -35.9567 -35.9567 -0.7015 -0.7015 -0.1893 -0.1893 0.6274 0.6274 1.8159 1.8159 2.7172 2.7172 3.6612 3.6612 4.9675 4.9675 5.5128 5.5128 5.6211 5.6211 7.6799 7.6799 9.7213 9.7213 9.9290 9.9290 11.7701 11.7701 k = 0.5833-0.0481 0.4763 ( 3459 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2500 -36.2500 -35.9678 -35.9678 -35.9664 -35.9664 -35.9581 -35.9581 -35.9568 -35.9568 -0.6882 -0.6882 -0.1870 -0.1870 0.6385 0.6385 1.7458 1.7458 2.7370 2.7370 3.6730 3.6730 4.9853 4.9853 5.5019 5.5019 5.6244 5.6244 7.7104 7.7104 9.6757 9.6757 9.9474 9.9474 11.6732 11.6732 k = 0.5764-0.0441 0.4876 ( 3450 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2500 -36.2500 -35.9678 -35.9678 -35.9664 -35.9664 -35.9581 -35.9581 -35.9568 -35.9568 -0.6726 -0.6726 -0.1849 -0.1849 0.6516 0.6516 1.6708 1.6708 2.7552 2.7552 3.6857 3.6857 5.0054 5.0054 5.4898 5.4898 5.6275 5.6275 7.7454 7.7454 9.6245 9.6245 9.9699 9.9699 11.5732 11.5732 k = 0.5694-0.0401 0.4990 ( 3444 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2500 -36.2500 -35.9678 -35.9678 -35.9664 -35.9664 -35.9580 -35.9580 -35.9568 -35.9568 -0.6547 -0.6547 -0.1831 -0.1831 0.6667 0.6667 1.5925 1.5925 2.7714 2.7714 3.6988 3.6988 5.0276 5.0276 5.4765 5.4765 5.6303 5.6303 7.7846 7.7846 9.5692 9.5692 9.9966 9.9966 11.4720 11.4720 k = 0.5625-0.0361 0.5103 ( 3450 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2512 -36.2512 -36.2501 -36.2501 -35.9677 -35.9677 -35.9665 -35.9665 -35.9580 -35.9580 -35.9569 -35.9569 -0.6345 -0.6345 -0.1820 -0.1820 0.6837 0.6837 1.5124 1.5124 2.7853 2.7853 3.7117 3.7117 5.0514 5.0514 5.4622 5.4622 5.6329 5.6329 7.8271 7.8271 9.5110 9.5110 10.0275 10.0275 11.3705 11.3705 k = 0.5556-0.0321 0.5217 ( 3445 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2512 -36.2512 -36.2501 -36.2501 -35.9677 -35.9677 -35.9665 -35.9665 -35.9579 -35.9579 -35.9569 -35.9569 -0.6120 -0.6120 -0.1821 -0.1821 0.7026 0.7026 1.4317 1.4317 2.7971 2.7971 3.7242 3.7242 5.0764 5.0764 5.4468 5.4468 5.6353 5.6353 7.8721 7.8721 9.4514 9.4514 10.0629 10.0629 11.2697 11.2697 k = 0.5486-0.0281 0.5330 ( 3446 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2511 -36.2511 -36.2502 -36.2502 -35.9676 -35.9676 -35.9666 -35.9666 -35.9579 -35.9579 -35.9569 -35.9569 -0.5873 -0.5873 -0.1840 -0.1840 0.7235 0.7235 1.3519 1.3519 2.8067 2.8067 3.7359 3.7359 5.1023 5.1023 5.4304 5.4304 5.6373 5.6373 7.9186 7.9186 9.3919 9.3919 10.1030 10.1030 11.1700 11.1700 k = 0.5417-0.0241 0.5443 ( 3439 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2510 -36.2510 -36.2502 -36.2502 -35.9676 -35.9676 -35.9667 -35.9667 -35.9578 -35.9578 -35.9570 -35.9570 -0.5606 -0.5606 -0.1880 -0.1880 0.7463 0.7463 1.2741 1.2741 2.8144 2.8144 3.7464 3.7464 5.1287 5.1287 5.4130 5.4130 5.6390 5.6390 7.9652 7.9652 9.3341 9.3341 10.1480 10.1480 11.0721 11.0721 k = 0.5347-0.0200 0.5557 ( 3442 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2510 -36.2510 -36.2503 -36.2503 -35.9675 -35.9675 -35.9667 -35.9667 -35.9577 -35.9577 -35.9570 -35.9570 -0.5320 -0.5320 -0.1950 -0.1950 0.7709 0.7709 1.1997 1.1997 2.8203 2.8203 3.7557 3.7557 5.1553 5.1553 5.3947 5.3947 5.6404 5.6404 8.0102 8.0102 9.2798 9.2798 10.1981 10.1981 10.9760 10.9760 k = 0.5278-0.0160 0.5670 ( 3436 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2509 -36.2509 -36.2503 -36.2503 -35.9674 -35.9674 -35.9668 -35.9668 -35.9577 -35.9577 -35.9571 -35.9571 -0.5019 -0.5019 -0.2056 -0.2056 0.7974 0.7974 1.1300 1.1300 2.8248 2.8248 3.7634 3.7634 5.1816 5.1816 5.3755 5.3755 5.6416 5.6416 8.0518 8.0518 9.2309 9.2309 10.2536 10.2536 10.8823 10.8823 k = 0.5208-0.0120 0.5784 ( 3436 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2509 -36.2509 -36.2504 -36.2504 -35.9674 -35.9674 -35.9669 -35.9669 -35.9576 -35.9576 -35.9571 -35.9571 -0.4707 -0.4707 -0.2200 -0.2200 0.8256 0.8256 1.0663 1.0663 2.8279 2.8279 3.7696 3.7696 5.2073 5.2073 5.3556 5.3556 5.6424 5.6424 8.0877 8.0877 9.1896 9.1896 10.3146 10.3146 10.7910 10.7910 k = 0.5139-0.0080 0.5897 ( 3434 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2508 -36.2508 -36.2505 -36.2505 -35.9673 -35.9673 -35.9670 -35.9670 -35.9575 -35.9575 -35.9572 -35.9572 -0.4401 -0.4401 -0.2379 -0.2379 0.8555 0.8555 1.0099 1.0099 2.8300 2.8300 3.7741 3.7741 5.2320 5.2320 5.3352 5.3352 5.6430 5.6430 8.1156 8.1156 9.1581 9.1581 10.3814 10.3814 10.7023 10.7023 k = 0.5069-0.0040 0.6010 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2506 -36.2506 -35.9672 -35.9672 -35.9670 -35.9670 -35.9575 -35.9575 -35.9573 -35.9573 -0.4137 -0.4137 -0.2562 -0.2562 0.8867 0.8867 0.9623 0.9623 2.8311 2.8311 3.7768 3.7768 5.2539 5.2539 5.3159 5.3159 5.6434 5.6434 8.1333 8.1333 9.1384 9.1384 10.4540 10.4540 10.6165 10.6165 k = 0.5000 0.0000 0.6124 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2506 -36.2506 -35.9672 -35.9672 -35.9671 -35.9671 -35.9574 -35.9574 -35.9574 -35.9574 -0.4014 -0.4014 -0.2657 -0.2657 0.9116 0.9116 0.9319 0.9319 2.8314 2.8314 3.7777 3.7777 5.2656 5.2656 5.3051 5.3051 5.6435 5.6435 8.1393 8.1393 9.1317 9.1317 10.5261 10.5261 10.5400 10.5400 k = 0.5000 0.0000 0.6124 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2506 -36.2506 -35.9672 -35.9672 -35.9671 -35.9671 -35.9574 -35.9574 -35.9574 -35.9574 -0.4014 -0.4014 -0.2657 -0.2657 0.9116 0.9116 0.9319 0.9319 2.8314 2.8314 3.7777 3.7777 5.2656 5.2656 5.3051 5.3051 5.6435 5.6435 8.1393 8.1393 9.1317 9.1317 10.5261 10.5261 10.5400 10.5400 k = 0.5000 0.0082 0.6007 ( 3446 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2506 -36.2506 -35.9672 -35.9672 -35.9671 -35.9671 -35.9574 -35.9574 -35.9574 -35.9574 -0.4042 -0.4042 -0.2710 -0.2710 0.9168 0.9168 0.9371 0.9371 2.8317 2.8317 3.7780 3.7780 5.2658 5.2658 5.3053 5.3053 5.6432 5.6432 8.1383 8.1383 9.1306 9.1306 10.5284 10.5284 10.5424 10.5424 k = 0.5000 0.0165 0.5890 ( 3438 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9671 -35.9671 -35.9671 -35.9671 -35.9574 -35.9574 -35.9574 -35.9574 -0.4124 -0.4124 -0.2865 -0.2865 0.9308 0.9308 0.9538 0.9538 2.8324 2.8324 3.7789 3.7789 5.2662 5.2662 5.3057 5.3057 5.6424 5.6424 8.1353 8.1353 9.1275 9.1275 10.5352 10.5352 10.5494 10.5494 k = 0.5000 0.0247 0.5774 ( 3440 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9671 -35.9671 -35.9671 -35.9671 -35.9574 -35.9574 -35.9574 -35.9574 -0.4257 -0.4257 -0.3112 -0.3112 0.9512 0.9512 0.9828 0.9828 2.8337 2.8337 3.7805 3.7805 5.2670 5.2670 5.3064 5.3064 5.6411 5.6411 8.1305 8.1305 9.1222 9.1222 10.5464 10.5464 10.5608 10.5608 k = 0.5000 0.0330 0.5657 ( 3442 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9671 -35.9671 -35.9670 -35.9670 -35.9575 -35.9575 -35.9574 -35.9574 -0.4437 -0.4437 -0.3437 -0.3437 0.9771 0.9771 1.0231 1.0231 2.8357 2.8357 3.7827 3.7827 5.2680 5.2680 5.3074 5.3074 5.6393 5.6393 8.1239 8.1239 9.1150 9.1150 10.5616 10.5616 10.5765 10.5765 k = 0.5000 0.0412 0.5541 ( 3442 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9670 -35.9670 -35.9670 -35.9670 -35.9575 -35.9575 -35.9575 -35.9575 -0.4657 -0.4657 -0.3823 -0.3823 1.0083 1.0083 1.0726 1.0726 2.8385 2.8385 3.7855 3.7855 5.2692 5.2692 5.3087 5.3087 5.6369 5.6369 8.1159 8.1159 9.1059 9.1059 10.5804 10.5804 10.5962 10.5962 k = 0.5000 0.0495 0.5424 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9670 -35.9670 -35.9669 -35.9669 -35.9576 -35.9576 -35.9575 -35.9575 -0.4911 -0.4911 -0.4256 -0.4256 1.0443 1.0443 1.1292 1.1292 2.8422 2.8422 3.7889 3.7889 5.2707 5.2707 5.3103 5.3103 5.6340 5.6340 8.1066 8.1066 9.0951 9.0951 10.6022 10.6022 10.6195 10.6195 k = 0.5000 0.0577 0.5307 ( 3442 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9669 -35.9669 -35.9669 -35.9669 -35.9576 -35.9576 -35.9576 -35.9576 -0.5193 -0.5193 -0.4723 -0.4723 1.0846 1.0846 1.1913 1.1913 2.8472 2.8472 3.7929 3.7929 5.2725 5.2725 5.3121 5.3121 5.6305 5.6305 8.0964 8.0964 9.0826 9.0826 10.6260 10.6260 10.6463 10.6463 k = 0.5000 0.0660 0.5191 ( 3446 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9669 -35.9669 -35.9668 -35.9668 -35.9577 -35.9577 -35.9577 -35.9577 -0.5497 -0.5497 -0.5211 -0.5211 1.1286 1.1286 1.2574 1.2574 2.8535 2.8535 3.7974 3.7974 5.2745 5.2745 5.3141 5.3141 5.6265 5.6265 8.0856 8.0856 9.0686 9.0686 10.6505 10.6505 10.6764 10.6764 k = 0.5000 0.0742 0.5074 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9668 -35.9668 -35.9667 -35.9667 -35.9578 -35.9578 -35.9578 -35.9578 -0.5818 -0.5818 -0.5712 -0.5712 1.1757 1.1757 1.3263 1.3263 2.8617 2.8617 3.8026 3.8026 5.2767 5.2767 5.3164 5.3164 5.6219 5.6219 8.0745 8.0745 9.0532 9.0532 10.6746 10.6746 10.7093 10.7093 k = 0.5000 0.0825 0.4957 ( 3450 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9667 -35.9667 -35.9666 -35.9666 -35.9579 -35.9579 -35.9579 -35.9579 -0.6227 -0.6227 -0.6143 -0.6143 1.2252 1.2252 1.3967 1.3967 2.8720 2.8720 3.8083 3.8083 5.2792 5.2792 5.3188 5.3188 5.6167 5.6167 8.0636 8.0636 9.0366 9.0366 10.6966 10.6966 10.7447 10.7447 k = 0.5000 0.0907 0.4841 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9666 -35.9666 -35.9666 -35.9666 -35.9580 -35.9580 -35.9580 -35.9580 -0.6734 -0.6734 -0.6483 -0.6483 1.2766 1.2766 1.4676 1.4676 2.8850 2.8850 3.8144 3.8144 5.2818 5.2818 5.3214 5.3214 5.6108 5.6108 8.0531 8.0531 9.0187 9.0187 10.7150 10.7150 10.7818 10.7818 k = 0.5000 0.0990 0.4724 ( 3458 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9665 -35.9665 -35.9664 -35.9664 -35.9581 -35.9581 -35.9581 -35.9581 -0.7239 -0.7239 -0.6823 -0.6823 1.3294 1.3294 1.5379 1.5379 2.9010 2.9010 3.8211 3.8211 5.2845 5.2845 5.3242 5.3242 5.6044 5.6044 8.0434 8.0434 8.9998 8.9998 10.7279 10.7279 10.8201 10.8201 k = 0.5000 0.1072 0.4607 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9664 -35.9664 -35.9663 -35.9663 -35.9582 -35.9582 -35.9582 -35.9582 -0.7735 -0.7735 -0.7164 -0.7164 1.3831 1.3831 1.6068 1.6068 2.9207 2.9207 3.8283 3.8283 5.2874 5.2874 5.3271 5.3271 5.5972 5.5972 8.0349 8.0349 8.9799 8.9799 10.7332 10.7332 10.8585 10.8585 k = 0.5000 0.1155 0.4491 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2506 -36.2506 -35.9663 -35.9663 -35.9662 -35.9662 -35.9583 -35.9583 -35.9583 -35.9583 -0.8221 -0.8221 -0.7501 -0.7501 1.4374 1.4374 1.6732 1.6732 2.9445 2.9445 3.8358 3.8358 5.2904 5.2904 5.3301 5.3301 5.5894 5.5894 8.0278 8.0278 8.9590 8.9590 10.7286 10.7286 10.8963 10.8963 k = 0.5000 0.1237 0.4374 ( 3450 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2505 -36.2505 -35.9661 -35.9661 -35.9661 -35.9661 -35.9585 -35.9585 -35.9584 -35.9584 -0.8694 -0.8694 -0.7832 -0.7832 1.4917 1.4917 1.7364 1.7364 2.9730 2.9730 3.8438 3.8438 5.2934 5.2934 5.3332 5.3332 5.5809 5.5809 8.0226 8.0226 8.9372 8.9372 10.7121 10.7121 10.9322 10.9322 k = 0.5000 0.1320 0.4257 ( 3450 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2505 -36.2505 -35.9660 -35.9660 -35.9659 -35.9659 -35.9586 -35.9586 -35.9586 -35.9586 -0.9151 -0.9151 -0.8156 -0.8156 1.5457 1.5457 1.7954 1.7954 3.0066 3.0066 3.8521 3.8521 5.2964 5.2964 5.3364 5.3364 5.5717 5.5717 8.0196 8.0196 8.9145 8.9145 10.6821 10.6821 10.9649 10.9649 k = 0.5000 0.1402 0.4141 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2505 -36.2505 -35.9658 -35.9658 -35.9658 -35.9658 -35.9587 -35.9587 -35.9587 -35.9587 -0.9591 -0.9591 -0.8471 -0.8471 1.5991 1.5991 1.8496 1.8496 3.0457 3.0457 3.8607 3.8607 5.2994 5.2994 5.3397 5.3397 5.5617 5.5617 8.0190 8.0190 8.8909 8.8909 10.6374 10.6374 10.9930 10.9930 k = 0.5000 0.1485 0.4024 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9657 -35.9657 -35.9656 -35.9656 -35.9589 -35.9589 -35.9589 -35.9589 -1.0012 -1.0012 -0.8774 -0.8774 1.6515 1.6515 1.8987 1.8987 3.0905 3.0905 3.8695 3.8695 5.3021 5.3021 5.3430 5.3430 5.5510 5.5510 8.0211 8.0211 8.8666 8.8666 10.5782 10.5782 11.0149 11.0149 k = 0.5000 0.1567 0.3908 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9655 -35.9655 -35.9655 -35.9655 -35.9591 -35.9591 -35.9590 -35.9590 -1.0414 -1.0414 -0.9066 -0.9066 1.7026 1.7026 1.9422 1.9422 3.1407 3.1407 3.8784 3.8784 5.3045 5.3045 5.3465 5.3465 5.5396 5.5396 8.0263 8.0263 8.8416 8.8416 10.5052 10.5052 11.0291 11.0291 k = 0.5000 0.1650 0.3791 ( 3450 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9653 -35.9653 -35.9653 -35.9653 -35.9592 -35.9592 -35.9592 -35.9592 -1.0795 -1.0795 -0.9344 -0.9344 1.7521 1.7521 1.9803 1.9803 3.1961 3.1961 3.8875 3.8875 5.3064 5.3064 5.3501 5.3501 5.5275 5.5275 8.0348 8.0348 8.8159 8.8159 10.4202 10.4202 11.0342 11.0342 k = 0.5000 0.1732 0.3674 ( 3452 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9652 -35.9652 -35.9651 -35.9651 -35.9594 -35.9594 -35.9594 -35.9594 -1.1155 -1.1155 -0.9608 -0.9608 1.7997 1.7997 2.0131 2.0131 3.2561 3.2561 3.8965 3.8965 5.3077 5.3077 5.3539 5.3539 5.5149 5.5149 8.0469 8.0469 8.7897 8.7897 10.3253 10.3253 11.0295 11.0295 k = 0.5000 0.1815 0.3558 ( 3452 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9650 -35.9650 -35.9650 -35.9650 -35.9596 -35.9596 -35.9596 -35.9596 -1.1492 -1.1492 -0.9856 -0.9856 1.8451 1.8451 2.0409 2.0409 3.3199 3.3199 3.9055 3.9055 5.3080 5.3080 5.3578 5.3578 5.5018 5.5018 8.0627 8.0627 8.7630 8.7630 10.2226 10.2226 11.0149 11.0149 k = 0.5000 0.1897 0.3441 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9648 -35.9648 -35.9648 -35.9648 -35.9598 -35.9598 -35.9598 -35.9598 -1.1806 -1.1806 -1.0089 -1.0089 1.8882 1.8882 2.0643 2.0643 3.3866 3.3866 3.9144 3.9144 5.3073 5.3073 5.3617 5.3617 5.4886 5.4886 8.0825 8.0825 8.7362 8.7362 10.1145 10.1145 10.9916 10.9916 k = 0.5000 0.1979 0.3324 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9646 -35.9646 -35.9646 -35.9646 -35.9600 -35.9600 -35.9599 -35.9599 -1.2097 -1.2097 -1.0305 -1.0305 1.9286 1.9286 2.0837 2.0837 3.4551 3.4551 3.9230 3.9230 5.3050 5.3050 5.3658 5.3658 5.4754 5.4754 8.1064 8.1064 8.7094 8.7094 10.0028 10.0028 10.9610 10.9610 k = 0.5000 0.2062 0.3208 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9644 -35.9644 -35.9644 -35.9644 -35.9602 -35.9602 -35.9601 -35.9601 -1.2363 -1.2363 -1.0504 -1.0504 1.9662 1.9662 2.0996 2.0996 3.5243 3.5243 3.9313 3.9313 5.3011 5.3011 5.3698 5.3698 5.4629 5.4629 8.1346 8.1346 8.6829 8.6829 9.8894 9.8894 10.9255 10.9255 k = 0.5000 0.2144 0.3091 ( 3460 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9642 -35.9642 -35.9642 -35.9642 -35.9604 -35.9604 -35.9604 -35.9604 -1.2606 -1.2606 -1.0685 -1.0685 2.0007 2.0007 2.1127 2.1127 3.5929 3.5929 3.9392 3.9392 5.2952 5.2952 5.3737 5.3737 5.4513 5.4513 8.1670 8.1670 8.6571 8.6571 9.7757 9.7757 10.8872 10.8872 k = 0.5000 0.2227 0.2974 ( 3460 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9640 -35.9640 -35.9640 -35.9640 -35.9606 -35.9606 -35.9606 -35.9606 -1.2823 -1.2823 -1.0848 -1.0848 2.0321 2.0321 2.1232 2.1232 3.6598 3.6598 3.9466 3.9466 5.2871 5.2871 5.3773 5.3773 5.4412 5.4412 8.2037 8.2037 8.6323 8.6323 9.6633 9.6633 10.8483 10.8483 k = 0.5000 0.2309 0.2858 ( 3458 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9638 -35.9638 -35.9638 -35.9638 -35.9608 -35.9608 -35.9608 -35.9608 -1.3016 -1.3016 -1.0993 -1.0993 2.0601 2.0601 2.1317 2.1317 3.7235 3.7235 3.9536 3.9536 5.2770 5.2770 5.3805 5.3805 5.4330 5.4330 8.2443 8.2443 8.6090 8.6090 9.5534 9.5534 10.8106 10.8106 k = 0.5000 0.2392 0.2741 ( 3460 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9636 -35.9636 -35.9636 -35.9636 -35.9610 -35.9610 -35.9610 -35.9610 -1.3184 -1.3184 -1.1119 -1.1119 2.0846 2.0846 2.1384 2.1384 3.7828 3.7828 3.9600 3.9600 5.2653 5.2653 5.3832 5.3832 5.4267 5.4267 8.2886 8.2886 8.5876 8.5876 9.4473 9.4473 10.7755 10.7755 k = 0.5000 0.2474 0.2624 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9634 -35.9634 -35.9634 -35.9634 -35.9612 -35.9612 -35.9612 -35.9612 -1.3326 -1.3326 -1.1226 -1.1226 2.1054 2.1054 2.1437 2.1437 3.8360 3.8360 3.9659 3.9659 5.2526 5.2526 5.3852 5.3852 5.4223 5.4223 8.3356 8.3356 8.5687 8.5687 9.3467 9.3467 10.7443 10.7443 k = 0.5000 0.2557 0.2508 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9632 -35.9632 -35.9631 -35.9631 -35.9614 -35.9614 -35.9614 -35.9614 -1.3442 -1.3442 -1.1314 -1.1314 2.1226 2.1226 2.1478 2.1478 3.8816 3.8816 3.9715 3.9715 5.2401 5.2401 5.3866 5.3866 5.4196 5.4196 8.3839 8.3839 8.5529 8.5529 9.2533 9.2533 10.7178 10.7178 k = 0.5000 0.2639 0.2391 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9630 -35.9630 -35.9629 -35.9629 -35.9616 -35.9616 -35.9616 -35.9616 -1.3533 -1.3533 -1.1383 -1.1383 2.1359 2.1359 2.1509 2.1509 3.9174 3.9174 3.9774 3.9774 5.2288 5.2288 5.3875 5.3875 5.4180 5.4180 8.4309 8.4309 8.5408 8.5408 9.1702 9.1702 10.6966 10.6966 k = 0.5000 0.2722 0.2275 ( 3448 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9627 -35.9627 -35.9627 -35.9627 -35.9618 -35.9618 -35.9618 -35.9618 -1.3598 -1.3598 -1.1432 -1.1432 2.1451 2.1451 2.1534 2.1534 3.9414 3.9414 3.9844 3.9844 5.2197 5.2197 5.3880 5.3880 5.4173 5.4173 8.4712 8.4712 8.5338 8.5338 9.1018 9.1018 10.6812 10.6812 k = 0.5000 0.2804 0.2158 ( 3444 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2504 -36.2504 -36.2504 -36.2504 -35.9625 -35.9625 -35.9625 -35.9625 -35.9620 -35.9620 -35.9620 -35.9620 -1.3637 -1.3637 -1.1461 -1.1461 2.1499 2.1499 2.1556 2.1556 3.9535 3.9535 3.9914 3.9914 5.2138 5.2138 5.3882 5.3882 5.4170 5.4170 8.4957 8.4957 8.5348 8.5348 9.0551 9.0551 10.6719 10.6719 k = 0.5000 0.2887 0.2041 ( 3444 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2504 -36.2504 -36.2504 -36.2504 -35.9624 -35.9624 -35.9623 -35.9623 -35.9622 -35.9622 -35.9621 -35.9621 -1.3650 -1.3650 -1.1471 -1.1471 2.1512 2.1512 2.1566 2.1566 3.9569 3.9569 3.9945 3.9945 5.2118 5.2118 5.3882 5.3882 5.4169 5.4169 8.5018 8.5018 8.5386 8.5386 9.0381 9.0381 10.6687 10.6687 k = 0.5000 0.2887 0.2041 ( 3444 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2504 -36.2504 -36.2504 -36.2504 -35.9624 -35.9624 -35.9623 -35.9623 -35.9622 -35.9622 -35.9621 -35.9621 -1.3650 -1.3650 -1.1471 -1.1471 2.1512 2.1512 2.1566 2.1566 3.9569 3.9569 3.9945 3.9945 5.2118 5.2118 5.3882 5.3882 5.4169 5.4169 8.5018 8.5018 8.5386 8.5386 9.0381 9.0381 10.6687 10.6687 k = 0.4958 0.2863 0.2177 ( 3444 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2504 -36.2504 -36.2504 -36.2504 -35.9625 -35.9625 -35.9625 -35.9625 -35.9620 -35.9620 -35.9620 -35.9620 -1.3636 -1.3636 -1.1461 -1.1461 2.1498 2.1498 2.1555 2.1555 3.9534 3.9534 3.9913 3.9913 5.2139 5.2139 5.3882 5.3882 5.4170 5.4170 8.4956 8.4956 8.5348 8.5348 9.0554 9.0554 10.6719 10.6719 k = 0.4917 0.2839 0.2313 ( 3447 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9627 -35.9627 -35.9627 -35.9627 -35.9618 -35.9618 -35.9618 -35.9618 -1.3597 -1.3597 -1.1431 -1.1431 2.1449 2.1449 2.1534 2.1534 3.9411 3.9411 3.9842 3.9842 5.2199 5.2199 5.3880 5.3880 5.4173 5.4173 8.4704 8.4704 8.5339 8.5339 9.1030 9.1030 10.6815 10.6815 k = 0.4875 0.2815 0.2449 ( 3451 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9630 -35.9630 -35.9629 -35.9629 -35.9616 -35.9616 -35.9616 -35.9616 -1.3530 -1.3530 -1.1381 -1.1381 2.1354 2.1354 2.1510 2.1510 3.9165 3.9165 3.9772 3.9772 5.2291 5.2291 5.3875 5.3875 5.4180 5.4180 8.4292 8.4292 8.5414 8.5414 9.1726 9.1726 10.6972 10.6972 k = 0.4833 0.2791 0.2586 ( 3456 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9632 -35.9632 -35.9632 -35.9632 -35.9614 -35.9614 -35.9614 -35.9614 -1.3438 -1.3438 -1.1311 -1.1311 2.1215 2.1215 2.1481 2.1481 3.8800 3.8800 3.9712 3.9712 5.2405 5.2405 5.3869 5.3869 5.4194 5.4194 8.3811 8.3811 8.5545 8.5545 9.2568 9.2568 10.7188 10.7188 k = 0.4792 0.2766 0.2722 ( 3466 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9634 -35.9634 -35.9634 -35.9634 -35.9612 -35.9612 -35.9612 -35.9612 -1.3319 -1.3319 -1.1221 -1.1221 2.1032 2.1032 2.1447 2.1447 3.8337 3.8337 3.9654 3.9654 5.2529 5.2529 5.3862 5.3862 5.4218 5.4218 8.3313 8.3313 8.5721 8.5721 9.3511 9.3511 10.7458 10.7458 k = 0.4750 0.2742 0.2858 ( 3470 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9636 -35.9636 -35.9636 -35.9636 -35.9610 -35.9610 -35.9610 -35.9610 -1.3174 -1.3174 -1.1112 -1.1112 2.0806 2.0806 2.1406 2.1406 3.7797 3.7797 3.9591 3.9591 5.2647 5.2647 5.3860 5.3860 5.4253 5.4253 8.2822 8.2822 8.5938 8.5938 9.4524 9.4524 10.7775 10.7775 k = 0.4708 0.2718 0.2994 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9638 -35.9638 -35.9638 -35.9638 -35.9608 -35.9608 -35.9608 -35.9608 -1.3003 -1.3003 -1.0983 -1.0983 2.0535 2.0535 2.1359 2.1359 3.7199 3.7199 3.9523 3.9523 5.2744 5.2744 5.3870 5.3870 5.4299 5.4299 8.2351 8.2351 8.6194 8.6194 9.5586 9.5586 10.8128 10.8128 k = 0.4667 0.2694 0.3130 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9641 -35.9641 -35.9640 -35.9640 -35.9606 -35.9606 -35.9605 -35.9605 -1.2807 -1.2807 -1.0835 -1.0835 2.0217 2.0217 2.1307 2.1307 3.6557 3.6557 3.9446 3.9446 5.2805 5.2805 5.3899 5.3899 5.4358 5.4358 8.1905 8.1905 8.6489 8.6489 9.6681 9.6681 10.8505 10.8505 k = 0.4625 0.2670 0.3266 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2504 -36.2504 -35.9643 -35.9643 -35.9642 -35.9642 -35.9604 -35.9604 -35.9603 -35.9603 -1.2585 -1.2585 -1.0669 -1.0669 1.9852 1.9852 2.1250 2.1250 3.5887 3.5887 3.9363 3.9363 5.2823 5.2823 5.3951 5.3951 5.4430 5.4430 8.1488 8.1488 8.6819 8.6819 9.7793 9.7793 10.8888 10.8888 k = 0.4583 0.2646 0.3402 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9645 -35.9645 -35.9644 -35.9644 -35.9602 -35.9602 -35.9601 -35.9601 -1.2338 -1.2338 -1.0484 -1.0484 1.9436 1.9436 2.1188 2.1188 3.5200 3.5200 3.9271 3.9271 5.2797 5.2797 5.4022 5.4022 5.4515 5.4515 8.1098 8.1098 8.7184 8.7184 9.8909 9.8909 10.9255 10.9255 k = 0.4542 0.2622 0.3538 ( 3464 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2505 -36.2505 -36.2505 -36.2505 -35.9647 -35.9647 -35.9646 -35.9646 -35.9600 -35.9600 -35.9599 -35.9599 -1.2066 -1.2066 -1.0280 -1.0280 1.8969 1.8969 2.1122 2.1122 3.4509 3.4509 3.9172 3.9172 5.2736 5.2736 5.4102 5.4102 5.4611 5.4611 8.0735 8.0735 8.7583 8.7583 10.0016 10.0016 10.9582 10.9582 k = 0.4500 0.2598 0.3674 ( 3462 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2504 -36.2504 -35.9649 -35.9649 -35.9648 -35.9648 -35.9598 -35.9598 -35.9597 -35.9597 -1.1771 -1.1771 -1.0059 -1.0059 1.8451 1.8451 2.1053 2.1053 3.3824 3.3824 3.9066 3.9066 5.2646 5.2646 5.4186 5.4186 5.4716 5.4716 8.0396 8.0396 8.8013 8.8013 10.1098 10.1098 10.9848 10.9848 k = 0.4458 0.2574 0.3810 ( 3458 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2504 -36.2504 -35.9651 -35.9651 -35.9649 -35.9649 -35.9596 -35.9596 -35.9595 -35.9595 -1.1453 -1.1453 -0.9820 -0.9820 1.7880 1.7880 2.0981 2.0981 3.3153 3.3153 3.8953 3.8953 5.2535 5.2535 5.4269 5.4269 5.4826 5.4826 8.0080 8.0080 8.8473 8.8473 10.2134 10.2134 11.0043 11.0043 k = 0.4417 0.2550 0.3946 ( 3457 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2504 -36.2504 -35.9653 -35.9653 -35.9651 -35.9651 -35.9595 -35.9595 -35.9593 -35.9593 -1.1113 -1.1113 -0.9564 -0.9564 1.7259 1.7259 2.0908 2.0908 3.2504 3.2504 3.8833 3.8833 5.2406 5.2406 5.4350 5.4350 5.4939 5.4939 7.9784 7.9784 8.8961 8.8961 10.3097 10.3097 11.0174 11.0174 k = 0.4375 0.2526 0.4082 ( 3459 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2506 -36.2506 -36.2504 -36.2504 -35.9655 -35.9655 -35.9652 -35.9652 -35.9593 -35.9593 -35.9591 -35.9591 -1.0754 -1.0754 -0.9291 -0.9291 1.6590 1.6590 2.0834 2.0834 3.1882 3.1882 3.8707 3.8707 5.2264 5.2264 5.4429 5.4429 5.5050 5.5050 7.9505 7.9505 8.9474 8.9474 10.3944 10.3944 11.0279 11.0279 k = 0.4333 0.2502 0.4219 ( 3469 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2504 -36.2504 -35.9657 -35.9657 -35.9654 -35.9654 -35.9592 -35.9592 -35.9589 -35.9589 -1.0376 -1.0376 -0.9000 -0.9000 1.5875 1.5875 2.0759 2.0759 3.1292 3.1292 3.8576 3.8576 5.2110 5.2110 5.4505 5.4505 5.5158 5.5158 7.9240 7.9240 9.0011 9.0011 10.4615 10.4615 11.0426 11.0426 k = 0.4292 0.2478 0.4355 ( 3463 PWs) bands (ev): -69.3079 -69.3079 -69.3079 -69.3079 -36.2507 -36.2507 -36.2504 -36.2504 -35.9659 -35.9659 -35.9655 -35.9655 -35.9590 -35.9590 -35.9587 -35.9587 -0.9983 -0.9983 -0.8691 -0.8691 1.5119 1.5119 2.0685 2.0685 3.0737 3.0737 3.8438 3.8438 5.1946 5.1946 5.4581 5.4581 5.5261 5.5261 7.8988 7.8988 9.0568 9.0568 10.5040 10.5040 11.0701 11.0701 k = 0.4250 0.2454 0.4491 ( 3459 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2508 -36.2508 -36.2504 -36.2504 -35.9661 -35.9661 -35.9656 -35.9656 -35.9589 -35.9589 -35.9585 -35.9585 -0.9581 -0.9581 -0.8362 -0.8362 1.4329 1.4329 2.0612 2.0612 3.0217 3.0217 3.8296 3.8296 5.1773 5.1773 5.4655 5.4655 5.5358 5.5358 7.8746 7.8746 9.1144 9.1144 10.5178 10.5178 11.1165 11.1165 k = 0.4208 0.2430 0.4627 ( 3457 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2508 -36.2508 -36.2503 -36.2503 -35.9663 -35.9663 -35.9657 -35.9657 -35.9588 -35.9588 -35.9584 -35.9584 -0.9176 -0.9176 -0.8008 -0.8008 1.3512 1.3512 2.0542 2.0542 2.9733 2.9733 3.8149 3.8149 5.1593 5.1593 5.4728 5.4728 5.5449 5.5449 7.8512 7.8512 9.1735 9.1735 10.5051 10.5051 11.1814 11.1814 k = 0.4167 0.2406 0.4763 ( 3454 PWs) bands (ev): -69.3079 -69.3079 -69.3078 -69.3078 -36.2508 -36.2508 -36.2503 -36.2503 -35.9664 -35.9664 -35.9658 -35.9658 -35.9587 -35.9587 -35.9582 -35.9582 -0.8778 -0.8778 -0.7626 -0.7626 1.2675 1.2675 2.0474 2.0474 2.9285 2.9285 3.7997 3.7997 5.1405 5.1405 5.4799 5.4799 5.5534 5.5534 7.8284 7.8284 9.2339 9.2339 10.4723 10.4723 11.2601 11.2601 k = 0.4125 0.2382 0.4899 ( 3452 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2509 -36.2509 -36.2503 -36.2503 -35.9666 -35.9666 -35.9659 -35.9659 -35.9585 -35.9585 -35.9580 -35.9580 -0.8396 -0.8396 -0.7210 -0.7210 1.1828 1.1828 2.0410 2.0410 2.8871 2.8871 3.7841 3.7841 5.1211 5.1211 5.4869 5.4869 5.5613 5.5613 7.8060 7.8060 9.2953 9.2953 10.4261 10.4261 11.3471 11.3471 k = 0.4083 0.2358 0.5035 ( 3452 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2509 -36.2509 -36.2503 -36.2503 -35.9668 -35.9668 -35.9660 -35.9660 -35.9585 -35.9585 -35.9579 -35.9579 -0.8043 -0.8043 -0.6754 -0.6754 1.0983 1.0983 2.0350 2.0350 2.8490 2.8490 3.7682 3.7682 5.1011 5.1011 5.4938 5.4938 5.5685 5.5685 7.7840 7.7840 9.3572 9.3572 10.3715 10.3715 11.4383 11.4383 k = 0.4042 0.2333 0.5171 ( 3458 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2510 -36.2510 -36.2502 -36.2502 -35.9669 -35.9669 -35.9661 -35.9661 -35.9584 -35.9584 -35.9577 -35.9577 -0.7727 -0.7727 -0.6259 -0.6259 1.0152 1.0152 2.0295 2.0295 2.8141 2.8141 3.7518 3.7518 5.0805 5.0805 5.5006 5.5006 5.5753 5.5753 7.7621 7.7621 9.4195 9.4195 10.3119 10.3119 11.5308 11.5308 k = 0.4000 0.2309 0.5307 ( 3466 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2511 -36.2511 -36.2502 -36.2502 -35.9671 -35.9671 -35.9661 -35.9661 -35.9584 -35.9584 -35.9576 -35.9576 -0.7456 -0.7456 -0.5726 -0.5726 0.9347 0.9347 2.0246 2.0246 2.7821 2.7821 3.7352 3.7352 5.0594 5.0594 5.5071 5.5071 5.5815 5.5815 7.7403 7.7403 9.4818 9.4818 10.2495 10.2495 11.6223 11.6223 k = 0.3958 0.2285 0.5443 ( 3458 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2511 -36.2511 -36.2502 -36.2502 -35.9673 -35.9673 -35.9662 -35.9662 -35.9583 -35.9583 -35.9574 -35.9574 -0.7237 -0.7237 -0.5160 -0.5160 0.8584 0.8584 2.0203 2.0203 2.7529 2.7529 3.7183 3.7183 5.0379 5.0379 5.5135 5.5135 5.5872 5.5872 7.7185 7.7185 9.5438 9.5438 10.1861 10.1861 11.7111 11.7111 k = 0.3917 0.2261 0.5579 ( 3460 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2512 -36.2512 -36.2501 -36.2501 -35.9674 -35.9674 -35.9662 -35.9662 -35.9583 -35.9583 -35.9572 -35.9572 -0.7080 -0.7080 -0.4564 -0.4564 0.7881 0.7881 2.0168 2.0168 2.7265 2.7265 3.7011 3.7011 5.0159 5.0159 5.5196 5.5196 5.5925 5.5925 7.6967 7.6967 9.6050 9.6050 10.1229 10.1229 11.7957 11.7957 k = 0.3875 0.2237 0.5715 ( 3458 PWs) bands (ev): -69.3080 -69.3080 -69.3078 -69.3078 -36.2512 -36.2512 -36.2501 -36.2501 -35.9675 -35.9675 -35.9663 -35.9663 -35.9582 -35.9582 -35.9571 -35.9571 -0.6997 -0.6997 -0.3943 -0.3943 0.7255 0.7255 2.0140 2.0140 2.7025 2.7025 3.6836 3.6836 4.9936 4.9936 5.5256 5.5256 5.5973 5.5973 7.6747 7.6747 9.6652 9.6652 10.0607 10.0607 11.8748 11.8748 k = 0.3833 0.2213 0.5852 ( 3458 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2513 -36.2513 -36.2500 -36.2500 -35.9677 -35.9677 -35.9663 -35.9663 -35.9582 -35.9582 -35.9569 -35.9569 -0.7001 -0.7001 -0.3299 -0.3299 0.6726 0.6726 2.0120 2.0120 2.6810 2.6810 3.6660 3.6660 4.9709 4.9709 5.5312 5.5312 5.6018 5.6018 7.6527 7.6527 9.7239 9.7239 10.0004 10.0004 11.9475 11.9475 k = 0.3792 0.2189 0.5988 ( 3456 PWs) bands (ev): -69.3080 -69.3080 -69.3077 -69.3077 -36.2514 -36.2514 -36.2499 -36.2499 -35.9678 -35.9678 -35.9663 -35.9663 -35.9582 -35.9582 -35.9568 -35.9568 -0.7105 -0.7105 -0.2637 -0.2637 0.6311 0.6311 2.0109 2.0109 2.6618 2.6618 3.6481 3.6481 4.9479 4.9479 5.5366 5.5366 5.6058 5.6058 7.6305 7.6305 9.7800 9.7800 9.9432 9.9432 12.0132 12.0132 k = 0.3750 0.2165 0.6124 ( 3444 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2498 -36.2498 -35.9679 -35.9679 -35.9662 -35.9662 -35.9582 -35.9582 -35.9566 -35.9566 -0.7317 -0.7317 -0.1958 -0.1958 0.6022 0.6022 2.0107 2.0107 2.6448 2.6448 3.6301 3.6301 4.9247 4.9247 5.5417 5.5417 5.6096 5.6096 7.6083 7.6083 9.8276 9.8276 9.8953 9.8953 12.0715 12.0715 k = 0.6250-0.0722 0.4082 ( 3444 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2514 -36.2514 -36.2498 -36.2498 -35.9679 -35.9679 -35.9662 -35.9662 -35.9582 -35.9582 -35.9566 -35.9566 -0.7317 -0.7317 -0.1958 -0.1958 0.6022 0.6022 2.0107 2.0107 2.6448 2.6448 3.6301 3.6301 4.9247 4.9247 5.5417 5.5417 5.6096 5.6096 7.6083 7.6083 9.8276 9.8276 9.8953 9.8953 12.0715 12.0715 k = 0.6181-0.0842 0.4082 ( 3456 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2515 -36.2515 -36.2498 -36.2498 -35.9681 -35.9681 -35.9662 -35.9662 -35.9583 -35.9583 -35.9565 -35.9565 -0.7751 -0.7751 -0.0812 -0.0812 0.5661 0.5661 2.0115 2.0115 2.6179 2.6179 3.6003 3.6003 4.8850 4.8850 5.5497 5.5497 5.6154 5.6154 7.5711 7.5711 9.7874 9.7874 9.9387 9.9387 12.1627 12.1627 k = 0.6111-0.0962 0.4082 ( 3452 PWs) bands (ev): -69.3081 -69.3081 -69.3077 -69.3077 -36.2517 -36.2517 -36.2497 -36.2497 -35.9683 -35.9683 -35.9662 -35.9662 -35.9583 -35.9583 -35.9563 -35.9563 -0.8162 -0.8162 0.0335 0.0335 0.5319 0.5319 2.0126 2.0126 2.5902 2.5902 3.5714 3.5714 4.8434 4.8434 5.5571 5.5571 5.6209 5.6209 7.5338 7.5338 9.7065 9.7065 10.0290 10.0290 12.2540 12.2540 k = 0.6042-0.1083 0.4082 ( 3448 PWs) bands (ev): -69.3081 -69.3081 -69.3076 -69.3076 -36.2517 -36.2517 -36.2496 -36.2496 -35.9685 -35.9685 -35.9661 -35.9661 -35.9583 -35.9583 -35.9561 -35.9561 -0.8548 -0.8548 0.1481 0.1481 0.4997 0.4997 2.0140 2.0140 2.5615 2.5615 3.5436 3.5436 4.8003 4.8003 5.5640 5.5640 5.6262 5.6262 7.4965 7.4965 9.6298 9.6298 10.1209 10.1209 12.3450 12.3450 k = 0.5972-0.1203 0.4082 ( 3440 PWs) bands (ev): -69.3081 -69.3081 -69.3076 -69.3076 -36.2519 -36.2519 -36.2494 -36.2494 -35.9687 -35.9687 -35.9661 -35.9661 -35.9583 -35.9583 -35.9559 -35.9559 -0.8910 -0.8910 0.2623 0.2623 0.4695 0.4695 2.0158 2.0158 2.5317 2.5317 3.5169 3.5169 4.7557 4.7557 5.5703 5.5703 5.6312 5.6312 7.4595 7.4595 9.5589 9.5589 10.2126 10.2126 12.4353 12.4353 k = 0.5903-0.1323 0.4082 ( 3448 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2520 -36.2520 -36.2494 -36.2494 -35.9688 -35.9688 -35.9661 -35.9661 -35.9584 -35.9584 -35.9557 -35.9557 -0.9248 -0.9248 0.3756 0.3756 0.4416 0.4416 2.0177 2.0177 2.5006 2.5006 3.4914 3.4914 4.7101 4.7101 5.5761 5.5761 5.6359 5.6359 7.4232 7.4232 9.4941 9.4941 10.3032 10.3032 12.5245 12.5245 k = 0.5833-0.1443 0.4082 ( 3448 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2520 -36.2520 -36.2493 -36.2493 -35.9690 -35.9690 -35.9660 -35.9660 -35.9584 -35.9584 -35.9556 -35.9556 -0.9561 -0.9561 0.4143 0.4143 0.4894 0.4894 2.0198 2.0198 2.4683 2.4683 3.4674 3.4674 4.6639 4.6639 5.5814 5.5814 5.6404 5.6404 7.3879 7.3879 9.4353 9.4353 10.3921 10.3921 12.6120 12.6120 k = 0.5764-0.1564 0.4082 ( 3452 PWs) bands (ev): -69.3082 -69.3082 -69.3076 -69.3076 -36.2521 -36.2521 -36.2492 -36.2492 -35.9691 -35.9691 -35.9660 -35.9660 -35.9584 -35.9584 -35.9554 -35.9554 -0.9850 -0.9850 0.3904 0.3904 0.6005 0.6005 2.0220 2.0220 2.4344 2.4344 3.4448 3.4448 4.6175 4.6175 5.5863 5.5863 5.6446 5.6446 7.3540 7.3540 9.3824 9.3824 10.4785 10.4785 12.6972 12.6972 k = 0.5694-0.1684 0.4082 ( 3454 PWs) bands (ev): -69.3082 -69.3082 -69.3075 -69.3075 -36.2522 -36.2522 -36.2492 -36.2492 -35.9692 -35.9692 -35.9660 -35.9660 -35.9585 -35.9585 -35.9553 -35.9553 -1.0114 -1.0114 0.3683 0.3683 0.7101 0.7101 2.0243 2.0243 2.3988 2.3988 3.4238 3.4238 4.5715 4.5715 5.5906 5.5906 5.6484 5.6484 7.3219 7.3219 9.3352 9.3352 10.5618 10.5618 12.7795 12.7795 k = 0.5625-0.1804 0.4082 ( 3440 PWs) bands (ev): -69.3082 -69.3082 -69.3075 -69.3075 -36.2523 -36.2523 -36.2490 -36.2490 -35.9693 -35.9693 -35.9659 -35.9659 -35.9585 -35.9585 -35.9551 -35.9551 -1.0353 -1.0353 0.3482 0.3482 0.8175 0.8175 2.0266 2.0266 2.3615 2.3615 3.4044 3.4044 4.5265 4.5265 5.5945 5.5945 5.6519 5.6519 7.2918 7.2918 9.2936 9.2936 10.6412 10.6412 12.8582 12.8582 k = 0.5556-0.1925 0.4082 ( 3442 PWs) bands (ev): -69.3082 -69.3082 -69.3075 -69.3075 -36.2523 -36.2523 -36.2490 -36.2490 -35.9694 -35.9694 -35.9659 -35.9659 -35.9585 -35.9585 -35.9550 -35.9550 -1.0567 -1.0567 0.3302 0.3302 0.9221 0.9221 2.0288 2.0288 2.3223 2.3223 3.3869 3.3869 4.4833 4.4833 5.5979 5.5979 5.6551 5.6551 7.2641 7.2641 9.2572 9.2572 10.7159 10.7159 12.9325 12.9325 k = 0.5486-0.2045 0.4082 ( 3438 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2524 -36.2524 -36.2489 -36.2489 -35.9695 -35.9695 -35.9659 -35.9659 -35.9585 -35.9585 -35.9549 -35.9549 -1.0756 -1.0756 0.3143 0.3143 1.0231 1.0231 2.0308 2.0308 2.2812 2.2812 3.3711 3.3711 4.4426 4.4426 5.6008 5.6008 5.6580 5.6580 7.2391 7.2391 9.2257 9.2257 10.7849 10.7849 13.0013 13.0013 k = 0.5417-0.2165 0.4082 ( 3444 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2525 -36.2525 -36.2489 -36.2489 -35.9697 -35.9697 -35.9659 -35.9659 -35.9585 -35.9585 -35.9548 -35.9548 -1.0920 -1.0920 0.3004 0.3004 1.1197 1.1197 2.0327 2.0327 2.2386 2.2386 3.3573 3.3573 4.4052 4.4052 5.6034 5.6034 5.6605 5.6605 7.2169 7.2169 9.1990 9.1990 10.8473 10.8473 13.0639 13.0639 k = 0.5347-0.2285 0.4082 ( 3442 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2525 -36.2525 -36.2488 -36.2488 -35.9697 -35.9697 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1058 -1.1058 0.2887 0.2887 1.2104 1.2104 2.0344 2.0344 2.1949 2.1949 3.3455 3.3455 4.3719 4.3719 5.6055 5.6055 5.6626 5.6626 7.1979 7.1979 9.1769 9.1769 10.9023 10.9023 13.1192 13.1192 k = 0.5278-0.2406 0.4082 ( 3442 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2525 -36.2525 -36.2488 -36.2488 -35.9698 -35.9698 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1172 -1.1172 0.2791 0.2791 1.2935 1.2935 2.0356 2.0356 2.1515 2.1515 3.3357 3.3357 4.3435 4.3435 5.6072 5.6072 5.6644 5.6644 7.1821 7.1821 9.1590 9.1590 10.9488 10.9488 13.1661 13.1661 k = 0.5208-0.2526 0.4082 ( 3442 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2526 -36.2526 -36.2488 -36.2488 -35.9698 -35.9698 -35.9659 -35.9659 -35.9586 -35.9586 -35.9546 -35.9546 -1.1260 -1.1260 0.2717 0.2717 1.3664 1.3664 2.0363 2.0363 2.1105 2.1105 3.3281 3.3281 4.3206 4.3206 5.6086 5.6086 5.6658 5.6658 7.1697 7.1697 9.1453 9.1453 10.9860 10.9860 13.2038 13.2038 k = 0.5139-0.2646 0.4082 ( 3462 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2526 -36.2526 -36.2488 -36.2488 -35.9699 -35.9699 -35.9659 -35.9659 -35.9586 -35.9586 -35.9547 -35.9547 -1.1324 -1.1324 0.2663 0.2663 1.4251 1.4251 2.0359 2.0359 2.0759 2.0759 3.3226 3.3226 4.3038 4.3038 5.6095 5.6095 5.6667 5.6667 7.1608 7.1608 9.1356 9.1356 11.0131 11.0131 13.2314 13.2314 k = 0.5069-0.2766 0.4082 ( 3454 PWs) bands (ev): -69.3083 -69.3083 -69.3075 -69.3075 -36.2526 -36.2526 -36.2489 -36.2489 -35.9699 -35.9699 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1362 -1.1362 0.2631 0.2631 1.4643 1.4643 2.0327 2.0327 2.0545 2.0545 3.3193 3.3193 4.2935 4.2935 5.6101 5.6101 5.6673 5.6673 7.1554 7.1554 9.1299 9.1299 11.0297 11.0297 13.2483 13.2483 k = 0.5000-0.2887 0.4082 ( 3442 PWs) bands (ev): -69.3083 -69.3083 -69.3074 -69.3074 -36.2525 -36.2525 -36.2488 -36.2488 -35.9698 -35.9698 -35.9659 -35.9659 -35.9585 -35.9585 -35.9547 -35.9547 -1.1374 -1.1374 0.2620 0.2620 1.4781 1.4781 2.0291 2.0291 2.0490 2.0490 3.3182 3.3182 4.2901 4.2901 5.6103 5.6103 5.6675 5.6675 7.1536 7.1536 9.1280 9.1280 11.0352 11.0352 13.2540 13.2540 Writing output data file Mg2FeH6.save init_run : 0.20s CPU 0.33s WALL ( 1 calls) electrons : 94.72s CPU 96.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 94.72s CPU 96.25s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 328 calls) cegterg : 84.93s CPU 85.98s WALL ( 409 calls) Called by sum_band: Called by *egterg: h_psi : 58.01s CPU 59.40s WALL ( 6106 calls) s_psi : 1.28s CPU 1.19s WALL ( 6106 calls) g_psi : 0.12s CPU 0.12s WALL ( 5369 calls) cdiaghg : 26.27s CPU 26.26s WALL ( 5697 calls) cegterg:over : 2.72s CPU 2.65s WALL ( 5369 calls) cegterg:upda : 2.03s CPU 1.99s WALL ( 5369 calls) cegterg:last : 1.27s CPU 1.36s WALL ( 1063 calls) cdiaghg:chol : 1.35s CPU 1.40s WALL ( 5697 calls) cdiaghg:inve : 0.70s CPU 0.69s WALL ( 5697 calls) cdiaghg:para : 1.37s CPU 1.57s WALL ( 11394 calls) Called by h_psi: h_psi:vloc : 54.46s CPU 55.92s WALL ( 6106 calls) h_psi:vnl : 3.42s CPU 3.37s WALL ( 6106 calls) add_vuspsi : 1.70s CPU 1.56s WALL ( 6106 calls) General routines calbec : 1.71s CPU 1.80s WALL ( 6106 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.25s CPU 52.68s WALL ( 525724 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.15s WALL ( 656 calls) Parallel routines fft_scatter : 16.23s CPU 16.68s WALL ( 525747 calls) PWSCF : 1m46.63s CPU 2m11.06s WALL This run was terminated on: 18:11:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=