Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:40:56 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: ./LiGa.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 54 15 1577 1577 232 Max 55 55 16 1581 1581 235 Sum 1945 1945 547 56833 56833 8393 bravais-lattice index = 14 lattice parameter (alat) = 8.2780 a.u. unit-cell volume = 401.1072 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.277995 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Ga 13.00 69.72300 Ga( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) 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 ) f =( 0.0000000 ) ( 1 -1 0 ) ( -0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) f =( -0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029499 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029499 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029499 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029499 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029499 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029499 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029499 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029499 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029499 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029499 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029499 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029499 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029499 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029499 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029499 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029499 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029499 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029499 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029499 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029499 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029499 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029499 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029499 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029499 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029499 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029499 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029499 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029499 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029499 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029499 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029499 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029499 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029499 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029499 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029499 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029499 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029499 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029499 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029499 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029499 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029499 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029499 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029499 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029499 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029499 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029499 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029499 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029499 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029499 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029499 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029499 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029499 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029499 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029499 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029499 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029499 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029499 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029499 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029499 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029499 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029499 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029499 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029499 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029499 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029499 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029499 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029499 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029499 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029499 k( 79) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029499 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029499 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029499 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029499 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029499 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029499 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029499 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029499 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029499 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029499 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029499 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029499 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029499 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029499 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029499 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029499 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029499 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029499 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029499 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029499 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029499 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029499 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029499 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029499 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029499 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029499 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029499 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029499 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029499 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029499 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029499 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029499 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029499 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029499 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029499 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029499 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029499 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029499 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029499 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029499 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029499 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029499 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029499 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029499 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029499 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029499 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029499 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029499 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029499 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029499 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029499 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029499 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029499 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029499 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029499 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029499 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029499 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029499 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029499 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029499 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029499 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029499 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029499 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029499 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029499 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029499 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029499 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029499 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029499 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029499 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029499 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029499 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029499 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029499 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029499 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029499 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029499 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029499 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029499 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029499 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029499 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029499 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029499 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029499 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029499 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029499 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029499 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029499 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029499 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029499 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029499 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029499 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029499 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029499 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029499 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029499 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029499 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029499 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029499 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029499 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029499 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029499 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029499 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029499 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029499 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029499 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029499 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029499 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029499 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029499 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029499 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029499 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 200) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0029499 k( 201) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0029499 k( 202) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0029499 k( 203) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0029499 k( 204) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0029499 k( 205) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0029499 k( 206) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0029499 k( 207) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0029499 k( 208) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0029499 k( 209) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0029499 k( 210) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0029499 k( 211) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0029499 k( 212) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0029499 k( 213) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0029499 k( 214) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0029499 k( 215) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0029499 k( 216) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0029499 k( 217) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0029499 k( 218) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0029499 k( 219) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0029499 k( 220) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0029499 k( 221) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0029499 k( 222) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0029499 k( 223) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0029499 k( 224) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0029499 k( 225) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0029499 k( 226) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0029499 k( 227) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0029499 k( 228) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0029499 k( 229) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0029499 k( 230) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0029499 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 232) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 233) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029499 k( 234) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029499 k( 235) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029499 k( 236) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029499 k( 237) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029499 k( 238) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029499 k( 239) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029499 k( 240) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029499 k( 241) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029499 k( 242) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029499 k( 243) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029499 k( 244) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029499 k( 245) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029499 k( 246) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029499 k( 247) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029499 k( 248) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029499 k( 249) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029499 k( 250) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 251) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 252) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029499 k( 253) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029499 k( 254) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029499 k( 255) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029499 k( 256) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029499 k( 257) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029499 k( 258) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029499 k( 259) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029499 k( 260) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029499 k( 261) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029499 k( 262) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029499 k( 263) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029499 k( 264) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029499 k( 265) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029499 k( 266) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029499 k( 267) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029499 k( 268) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029499 k( 269) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029499 k( 270) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029499 k( 271) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029499 k( 272) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029499 k( 273) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029499 k( 274) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029499 k( 275) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029499 k( 276) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029499 k( 277) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029499 k( 278) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029499 k( 279) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029499 k( 280) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029499 k( 281) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029499 k( 282) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029499 k( 283) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029499 k( 284) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029499 k( 285) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029499 k( 286) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029499 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 288) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 289) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0029499 k( 290) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0029499 k( 291) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0029499 k( 292) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0029499 k( 293) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0029499 k( 294) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0029499 k( 295) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0029499 k( 296) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0029499 k( 297) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0029499 k( 298) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0029499 k( 299) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0029499 k( 300) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0029499 k( 301) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0029499 k( 302) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0029499 k( 303) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0029499 k( 304) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0029499 k( 305) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0029499 k( 306) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0029499 k( 307) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0029499 k( 308) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0029499 k( 309) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0029499 k( 310) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0029499 k( 311) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0029499 k( 312) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0029499 k( 313) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0029499 k( 314) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0029499 k( 315) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0029499 k( 316) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0029499 k( 317) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0029499 k( 318) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0029499 k( 319) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0029499 k( 320) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 321) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 322) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029499 k( 323) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029499 k( 324) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029499 k( 325) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029499 k( 326) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029499 k( 327) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029499 k( 328) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029499 k( 329) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029499 k( 330) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029499 k( 331) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029499 k( 332) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029499 k( 333) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029499 k( 334) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029499 k( 335) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029499 k( 336) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029499 k( 337) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029499 k( 338) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029499 k( 339) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029499 k( 4) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029499 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0029499 k( 8) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029499 k( 10) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029499 k( 12) = ( 0.1078431 -0.0000000 0.1078431), wk = 0.0029499 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0029499 k( 14) = ( 0.1274510 0.0000000 0.1274510), wk = 0.0029499 k( 15) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0029499 k( 16) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0000000 0.1568627), wk = 0.0029499 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029499 k( 19) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0029499 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029499 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029499 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0029499 k( 23) = ( 0.2156863 -0.0000000 0.2156863), wk = 0.0029499 k( 24) = ( 0.2254902 -0.0000000 0.2254902), wk = 0.0029499 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0029499 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029499 k( 27) = ( 0.2549020 0.0000000 0.2549020), wk = 0.0029499 k( 28) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0029499 k( 29) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0029499 k( 30) = ( 0.2843137 0.0000000 0.2843137), wk = 0.0029499 k( 31) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0029499 k( 32) = ( 0.3039216 0.0000000 0.3039216), wk = 0.0029499 k( 33) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0029499 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029499 k( 35) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0029499 k( 36) = ( 0.3431373 -0.0000000 0.3431373), wk = 0.0029499 k( 37) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0029499 k( 38) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0029499 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029499 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0029499 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0029499 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0029499 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0029499 k( 44) = ( 0.4215686 -0.0000000 0.4215686), wk = 0.0029499 k( 45) = ( 0.4313726 -0.0000000 0.4313726), wk = 0.0029499 k( 46) = ( 0.4411765 -0.0000000 0.4411765), wk = 0.0029499 k( 47) = ( 0.4509804 -0.0000000 0.4509804), wk = 0.0029499 k( 48) = ( 0.4607843 -0.0000000 0.4607843), wk = 0.0029499 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0029499 k( 50) = ( 0.4803922 -0.0000000 0.4803922), wk = 0.0029499 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0029499 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029499 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029499 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0029499 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029499 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029499 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029499 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029499 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029499 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029499 k( 63) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0029499 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029499 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029499 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029499 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029499 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029499 k( 69) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0029499 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029499 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029499 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029499 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029499 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029499 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029499 k( 76) = ( 0.5000000 0.2211539 0.7211539), wk = 0.0029499 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029499 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029499 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029499 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029499 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029499 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029499 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029499 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029499 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029499 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029499 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029499 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029499 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029499 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029499 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029499 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029499 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029499 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029499 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029499 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029499 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029499 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029499 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029499 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029499 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029499 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029499 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029499 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029499 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029499 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029499 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029499 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029499 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029499 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029499 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029499 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029499 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029499 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029499 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029499 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029499 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029499 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029499 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029499 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029499 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029499 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029499 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029499 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029499 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029499 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029499 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029499 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029499 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029499 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029499 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029499 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029499 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029499 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029499 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029499 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029499 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029499 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029499 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029499 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029499 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029499 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029499 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029499 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029499 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029499 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029499 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029499 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029499 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029499 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029499 k( 158) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029499 k( 159) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029499 k( 160) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029499 k( 161) = ( 0.0795455 0.0795455 0.0795455), wk = 0.0029499 k( 162) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029499 k( 163) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029499 k( 164) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029499 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029499 k( 166) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029499 k( 167) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029499 k( 168) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029499 k( 169) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0029499 k( 170) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029499 k( 171) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029499 k( 172) = ( 0.2045454 0.2045455 0.2045455), wk = 0.0029499 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029499 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029499 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029499 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029499 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029499 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029499 k( 180) = ( 0.2954545 0.2954546 0.2954545), wk = 0.0029499 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029499 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029499 k( 183) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029499 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029499 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029499 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029499 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029499 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029499 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029499 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029499 k( 191) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029499 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029499 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029499 k( 194) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0029499 k( 195) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029499 k( 196) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029499 k( 197) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029499 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 200) = ( 0.5039062 0.4921875 0.5039063), wk = 0.0029499 k( 201) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0029499 k( 202) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0029499 k( 203) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0029499 k( 204) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0029499 k( 205) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0029499 k( 206) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0029499 k( 207) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0029499 k( 208) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0029499 k( 209) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0029499 k( 210) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0029499 k( 211) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0029499 k( 212) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0029499 k( 213) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0029499 k( 214) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0029499 k( 215) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0029499 k( 216) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0029499 k( 217) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0029499 k( 218) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0029499 k( 219) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0029499 k( 220) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0029499 k( 221) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0029499 k( 222) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0029499 k( 223) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0029499 k( 224) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0029499 k( 225) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0029499 k( 226) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0029499 k( 227) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0029499 k( 228) = ( 0.6132812 0.2734375 0.6132813), wk = 0.0029499 k( 229) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0029499 k( 230) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0029499 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 232) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 233) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029499 k( 234) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029499 k( 235) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029499 k( 236) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029499 k( 237) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029499 k( 238) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029499 k( 239) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029499 k( 240) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029499 k( 241) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029499 k( 242) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029499 k( 243) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029499 k( 244) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029499 k( 245) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029499 k( 246) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029499 k( 247) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029499 k( 248) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029499 k( 249) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029499 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 251) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 252) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029499 k( 253) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029499 k( 254) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029499 k( 255) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029499 k( 256) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029499 k( 257) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029499 k( 258) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029499 k( 259) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029499 k( 260) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029499 k( 261) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029499 k( 262) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029499 k( 263) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029499 k( 264) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029499 k( 265) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029499 k( 266) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029499 k( 267) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029499 k( 268) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029499 k( 269) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029499 k( 270) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029499 k( 271) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029499 k( 272) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029499 k( 273) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029499 k( 274) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029499 k( 275) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029499 k( 276) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029499 k( 277) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029499 k( 278) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029499 k( 279) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029499 k( 280) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029499 k( 281) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029499 k( 282) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029499 k( 283) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029499 k( 284) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029499 k( 285) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029499 k( 286) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029499 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 289) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0029499 k( 290) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0029499 k( 291) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0029499 k( 292) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0029499 k( 293) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0029499 k( 294) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0029499 k( 295) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0029499 k( 296) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0029499 k( 297) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0029499 k( 298) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0029499 k( 299) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0029499 k( 300) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0029499 k( 301) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0029499 k( 302) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0029499 k( 303) = ( 0.4414062 0.4414063 0.6171875), wk = 0.0029499 k( 304) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0029499 k( 305) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0029499 k( 306) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0029499 k( 307) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0029499 k( 308) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0029499 k( 309) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0029499 k( 310) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0029499 k( 311) = ( 0.4101562 0.4101563 0.6796875), wk = 0.0029499 k( 312) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0029499 k( 313) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0029499 k( 314) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0029499 k( 315) = ( 0.3945312 0.3945313 0.7109375), wk = 0.0029499 k( 316) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0029499 k( 317) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0029499 k( 318) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0029499 k( 319) = ( 0.3789062 0.3789063 0.7421875), wk = 0.0029499 k( 320) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 321) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 322) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029499 k( 323) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029499 k( 324) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029499 k( 325) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029499 k( 326) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029499 k( 327) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029499 k( 328) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029499 k( 329) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029499 k( 330) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029499 k( 331) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029499 k( 332) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029499 k( 333) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029499 k( 334) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029499 k( 335) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029499 k( 336) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029499 k( 337) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029499 k( 338) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029499 k( 339) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 Dense grid: 56833 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 406, 40) NL pseudopotentials 0.30 Mb ( 203, 96) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1579) G-vector shells 0.00 Mb ( 419) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 406, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./LiGa.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.4 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.5 secs Computing kpt #: 15 total cpu time spent up to now is 7.0 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 8.0 secs Computing kpt #: 18 total cpu time spent up to now is 8.4 secs Computing kpt #: 19 total cpu time spent up to now is 8.9 secs Computing kpt #: 20 total cpu time spent up to now is 9.3 secs Computing kpt #: 21 total cpu time spent up to now is 9.7 secs Computing kpt #: 22 total cpu time spent up to now is 10.1 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.8 secs Computing kpt #: 25 total cpu time spent up to now is 11.2 secs Computing kpt #: 26 total cpu time spent up to now is 11.6 secs Computing kpt #: 27 total cpu time spent up to now is 11.9 secs Computing kpt #: 28 total cpu time spent up to now is 12.3 secs Computing kpt #: 29 total cpu time spent up to now is 12.6 secs Computing kpt #: 30 total cpu time spent up to now is 13.0 secs Computing kpt #: 31 total cpu time spent up to now is 13.3 secs Computing kpt #: 32 total cpu time spent up to now is 13.7 secs Computing kpt #: 33 total cpu time spent up to now is 14.0 secs Computing kpt #: 34 total cpu time spent up to now is 14.4 secs Computing kpt #: 35 total cpu time spent up to now is 14.7 secs Computing kpt #: 36 total cpu time spent up to now is 15.1 secs Computing kpt #: 37 total cpu time spent up to now is 15.4 secs Computing kpt #: 38 total cpu time spent up to now is 15.8 secs Computing kpt #: 39 total cpu time spent up to now is 16.1 secs Computing kpt #: 40 total cpu time spent up to now is 16.5 secs Computing kpt #: 41 total cpu time spent up to now is 16.8 secs Computing kpt #: 42 total cpu time spent up to now is 17.2 secs Computing kpt #: 43 total cpu time spent up to now is 17.5 secs Computing kpt #: 44 total cpu time spent up to now is 17.9 secs Computing kpt #: 45 total cpu time spent up to now is 18.2 secs Computing kpt #: 46 total cpu time spent up to now is 18.7 secs Computing kpt #: 47 total cpu time spent up to now is 19.2 secs Computing kpt #: 48 total cpu time spent up to now is 19.8 secs Computing kpt #: 49 total cpu time spent up to now is 20.3 secs Computing kpt #: 50 total cpu time spent up to now is 20.6 secs Computing kpt #: 51 total cpu time spent up to now is 21.0 secs Computing kpt #: 52 total cpu time spent up to now is 21.4 secs Computing kpt #: 53 total cpu time spent up to now is 21.7 secs Computing kpt #: 54 total cpu time spent up to now is 22.1 secs Computing kpt #: 55 total cpu time spent up to now is 22.5 secs Computing kpt #: 56 total cpu time spent up to now is 22.9 secs Computing kpt #: 57 total cpu time spent up to now is 23.3 secs Computing kpt #: 58 total cpu time spent up to now is 23.7 secs Computing kpt #: 59 total cpu time spent up to now is 24.1 secs Computing kpt #: 60 total cpu time spent up to now is 24.4 secs Computing kpt #: 61 total cpu time spent up to now is 24.8 secs Computing kpt #: 62 total cpu time spent up to now is 25.2 secs Computing kpt #: 63 total cpu time spent up to now is 25.6 secs Computing kpt #: 64 total cpu time spent up to now is 25.9 secs Computing kpt #: 65 total cpu time spent up to now is 26.3 secs Computing kpt #: 66 total cpu time spent up to now is 26.6 secs Computing kpt #: 67 total cpu time spent up to now is 27.0 secs Computing kpt #: 68 total cpu time spent up to now is 27.3 secs Computing kpt #: 69 total cpu time spent up to now is 27.7 secs Computing kpt #: 70 total cpu time spent up to now is 28.0 secs Computing kpt #: 71 total cpu time spent up to now is 28.4 secs Computing kpt #: 72 total cpu time spent up to now is 28.7 secs Computing kpt #: 73 total cpu time spent up to now is 29.0 secs Computing kpt #: 74 total cpu time spent up to now is 29.4 secs Computing kpt #: 75 total cpu time spent up to now is 29.7 secs Computing kpt #: 76 total cpu time spent up to now is 30.1 secs Computing kpt #: 77 total cpu time spent up to now is 30.4 secs Computing kpt #: 78 total cpu time spent up to now is 30.7 secs Computing kpt #: 79 total cpu time spent up to now is 31.1 secs Computing kpt #: 80 total cpu time spent up to now is 31.4 secs Computing kpt #: 81 total cpu time spent up to now is 31.7 secs Computing kpt #: 82 total cpu time spent up to now is 32.1 secs Computing kpt #: 83 total cpu time spent up to now is 32.4 secs Computing kpt #: 84 total cpu time spent up to now is 32.7 secs Computing kpt #: 85 total cpu time spent up to now is 33.1 secs Computing kpt #: 86 total cpu time spent up to now is 33.4 secs Computing kpt #: 87 total cpu time spent up to now is 33.8 secs Computing kpt #: 88 total cpu time spent up to now is 34.1 secs Computing kpt #: 89 total cpu time spent up to now is 34.5 secs Computing kpt #: 90 total cpu time spent up to now is 34.8 secs Computing kpt #: 91 total cpu time spent up to now is 35.2 secs Computing kpt #: 92 total cpu time spent up to now is 35.7 secs Computing kpt #: 93 total cpu time spent up to now is 36.1 secs Computing kpt #: 94 total cpu 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secs Computing kpt #: 110 total cpu time spent up to now is 42.4 secs Computing kpt #: 111 total cpu time spent up to now is 42.8 secs Computing kpt #: 112 total cpu time spent up to now is 43.1 secs Computing kpt #: 113 total cpu time spent up to now is 43.5 secs Computing kpt #: 114 total cpu time spent up to now is 43.9 secs Computing kpt #: 115 total cpu time spent up to now is 44.3 secs Computing kpt #: 116 total cpu time spent up to now is 44.6 secs Computing kpt #: 117 total cpu time spent up to now is 45.0 secs Computing kpt #: 118 total cpu time spent up to now is 45.4 secs Computing kpt #: 119 total cpu time spent up to now is 45.7 secs Computing kpt #: 120 total cpu time spent up to now is 46.1 secs Computing kpt #: 121 total cpu time spent up to now is 46.5 secs Computing kpt #: 122 total cpu time spent up to now is 46.9 secs Computing kpt #: 123 total cpu time spent up to now is 47.3 secs Computing kpt #: 124 total cpu time spent up to now is 47.7 secs Computing kpt #: 125 total cpu time spent up to now is 48.1 secs Computing kpt #: 126 total cpu time spent up to now is 48.4 secs Computing kpt #: 127 total cpu time spent up to now is 48.8 secs Computing kpt #: 128 total cpu time spent up to now is 49.2 secs Computing kpt #: 129 total cpu time spent up to now is 49.6 secs Computing kpt #: 130 total cpu time spent up to now is 49.9 secs Computing kpt #: 131 total cpu time spent up to now is 50.3 secs Computing kpt #: 132 total cpu time spent up to now is 50.7 secs Computing kpt #: 133 total cpu time spent up to now is 51.0 secs Computing kpt #: 134 total cpu time spent up to now is 51.4 secs Computing kpt #: 135 total cpu time spent up to now is 51.7 secs Computing kpt #: 136 total cpu time spent up to now is 52.1 secs Computing kpt #: 137 total cpu time spent up to now is 52.5 secs Computing kpt #: 138 total cpu time spent up to now is 52.8 secs Computing kpt #: 139 total cpu time spent up to now is 53.2 secs Computing kpt #: 140 total cpu time spent up 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Computing kpt #: 156 total cpu time spent up to now is 59.2 secs Computing kpt #: 157 total cpu time spent up to now is 59.6 secs Computing kpt #: 158 total cpu time spent up to now is 59.9 secs Computing kpt #: 159 total cpu time spent up to now is 60.2 secs Computing kpt #: 160 total cpu time spent up to now is 60.6 secs Computing kpt #: 161 total cpu time spent up to now is 60.9 secs Computing kpt #: 162 total cpu time spent up to now is 61.3 secs Computing kpt #: 163 total cpu time spent up to now is 61.6 secs Computing kpt #: 164 total cpu time spent up to now is 62.0 secs Computing kpt #: 165 total cpu time spent up to now is 62.3 secs Computing kpt #: 166 total cpu time spent up to now is 62.7 secs Computing kpt #: 167 total cpu time spent up to now is 63.2 secs Computing kpt #: 168 total cpu time spent up to now is 63.9 secs Computing kpt #: 169 total cpu time spent up to now is 64.5 secs Computing kpt #: 170 total cpu time spent up to now is 64.9 secs Computing kpt #: 171 total cpu time spent up to now is 65.6 secs Computing kpt #: 172 total cpu time spent up to now is 66.1 secs Computing kpt #: 173 total cpu time spent up to now is 66.7 secs Computing kpt #: 174 total cpu time spent up to now is 67.2 secs Computing kpt #: 175 total cpu time spent up to now is 67.8 secs Computing kpt #: 176 total cpu time spent up to now is 68.4 secs Computing kpt #: 177 total cpu time spent up to now is 68.9 secs Computing kpt #: 178 total cpu time spent up to now is 69.5 secs Computing kpt #: 179 total cpu time spent up to now is 70.0 secs Computing kpt #: 180 total cpu time spent up to now is 70.8 secs Computing kpt #: 181 total cpu time spent up to now is 71.3 secs Computing kpt #: 182 total cpu time spent up to now is 71.7 secs Computing kpt #: 183 total cpu time spent up to now is 72.1 secs Computing kpt #: 184 total cpu time spent up to now is 72.4 secs Computing kpt #: 185 total cpu time spent up to now is 72.8 secs Computing kpt #: 186 total cpu time spent up to now is 73.1 secs Computing kpt #: 187 total cpu time spent up to now is 73.5 secs Computing kpt #: 188 total cpu time spent up to now is 73.8 secs Computing kpt #: 189 total cpu time spent up to now is 74.2 secs Computing kpt #: 190 total cpu time spent up to now is 74.5 secs Computing kpt #: 191 total cpu time spent up to now is 74.9 secs Computing kpt #: 192 total cpu time spent up to now is 75.2 secs Computing kpt #: 193 total cpu time spent up to now is 75.6 secs Computing kpt #: 194 total cpu time spent up to now is 75.9 secs Computing kpt #: 195 total cpu time spent up to now is 76.3 secs Computing kpt #: 196 total cpu time spent up to now is 76.6 secs Computing kpt #: 197 total cpu time spent up to now is 77.0 secs Computing kpt #: 198 total cpu time spent up to now is 77.3 secs Computing kpt #: 199 total cpu time spent up to now is 77.6 secs Computing kpt #: 200 total cpu time spent up to now is 78.0 secs Computing kpt #: 201 total cpu time spent up to now is 78.3 secs Computing kpt #: 202 total cpu time spent up to now is 78.7 secs Computing kpt #: 203 total cpu time spent up to now is 79.0 secs Computing kpt #: 204 total cpu time spent up to now is 79.3 secs Computing kpt #: 205 total cpu time spent up to now is 79.7 secs Computing kpt #: 206 total cpu time spent up to now is 80.0 secs Computing kpt #: 207 total cpu time spent up to now is 80.4 secs Computing kpt #: 208 total cpu time spent up to now is 80.7 secs Computing kpt #: 209 total cpu time spent up to now is 81.1 secs Computing kpt #: 210 total cpu time spent up to now is 81.4 secs Computing kpt #: 211 total cpu time spent up to now is 81.8 secs Computing kpt #: 212 total cpu time spent up to now is 82.1 secs Computing kpt #: 213 total cpu time spent up to now is 82.5 secs Computing kpt #: 214 total cpu time spent up to now is 82.8 secs Computing kpt #: 215 total cpu time spent up to now is 83.2 secs Computing kpt #: 216 total cpu time spent up to now is 83.5 secs Computing kpt #: 217 total cpu time spent up to now is 83.9 secs Computing kpt #: 218 total cpu time spent up to now is 84.2 secs Computing kpt #: 219 total cpu time spent up to now is 84.6 secs Computing kpt #: 220 total cpu time spent up to now is 84.9 secs Computing kpt #: 221 total cpu time spent up to now is 85.3 secs Computing kpt #: 222 total cpu time spent up to now is 85.6 secs Computing kpt #: 223 total cpu time spent up to now is 86.0 secs Computing kpt #: 224 total cpu time spent up to now is 86.3 secs Computing kpt #: 225 total cpu time spent up to now is 86.7 secs Computing kpt #: 226 total cpu time spent up to now is 87.0 secs Computing kpt #: 227 total cpu time spent up to now is 87.4 secs Computing kpt #: 228 total cpu time spent up to now is 87.9 secs Computing kpt #: 229 total cpu time spent up to now is 88.2 secs Computing kpt #: 230 total cpu time spent up to now is 88.6 secs Computing kpt #: 231 total cpu time spent up to now is 89.0 secs Computing kpt #: 232 total cpu time spent up to now is 89.3 secs Computing kpt #: 233 total cpu time spent up to now is 89.7 secs Computing kpt #: 234 total cpu time spent up to now is 90.1 secs Computing kpt #: 235 total cpu time spent up to now is 90.4 secs Computing kpt #: 236 total cpu time spent up to now is 90.8 secs Computing kpt #: 237 total cpu time spent up to now is 91.1 secs Computing kpt #: 238 total cpu time spent up to now is 91.5 secs Computing kpt #: 239 total cpu time spent up to now is 91.8 secs Computing kpt #: 240 total cpu time spent up to now is 92.2 secs Computing kpt #: 241 total cpu time spent up to now is 92.5 secs Computing kpt #: 242 total cpu time spent up to now is 92.9 secs Computing kpt #: 243 total cpu time spent up to now is 93.2 secs Computing kpt #: 244 total cpu time spent up to now is 93.5 secs Computing kpt #: 245 total cpu time spent up to now is 93.9 secs Computing kpt #: 246 total cpu time spent up to now is 94.2 secs Computing kpt #: 247 total cpu time spent up to now is 94.6 secs Computing kpt #: 248 total cpu time spent up to now is 94.9 secs Computing kpt #: 249 total cpu time spent up to now is 95.2 secs Computing kpt #: 250 total cpu time spent up to now is 95.6 secs Computing kpt #: 251 total cpu time spent up to now is 95.9 secs Computing kpt #: 252 total cpu time spent up to now is 96.2 secs Computing kpt #: 253 total cpu time spent up to now is 96.6 secs Computing kpt #: 254 total cpu time spent up to now is 96.9 secs Computing kpt #: 255 total cpu time spent up to now is 97.2 secs Computing kpt #: 256 total cpu time spent up to now is 97.6 secs Computing kpt #: 257 total cpu time spent up to now is 97.9 secs Computing kpt #: 258 total cpu time spent up to now is 98.3 secs Computing kpt #: 259 total cpu time spent up to now is 98.6 secs Computing kpt #: 260 total cpu time spent up to now is 99.0 secs Computing kpt #: 261 total cpu time spent up to now is 99.3 secs Computing kpt #: 262 total cpu time spent up to now is 99.7 secs Computing kpt #: 263 total cpu time spent up to now is 100.0 secs Computing kpt #: 264 total cpu time spent up to now is 100.4 secs Computing kpt #: 265 total cpu time spent up to now is 100.7 secs Computing kpt #: 266 total cpu time spent up to now is 101.1 secs Computing kpt #: 267 total cpu time spent up to now is 101.4 secs Computing kpt #: 268 total cpu time spent up to now is 101.8 secs Computing kpt #: 269 total cpu time spent up to now is 102.1 secs Computing kpt #: 270 total cpu time spent up to now is 102.5 secs Computing kpt #: 271 total cpu time spent up to now is 102.8 secs Computing kpt #: 272 total cpu time spent up to now is 103.1 secs Computing kpt #: 273 total cpu time spent up to now is 103.5 secs Computing kpt #: 274 total cpu time spent up to now is 103.8 secs Computing kpt #: 275 total cpu time spent up to now is 104.2 secs Computing kpt #: 276 total cpu time spent up to now is 104.6 secs Computing kpt #: 277 total cpu time spent up to now is 104.9 secs Computing kpt #: 278 total cpu time spent up to now is 105.3 secs Computing kpt #: 279 total cpu time spent up to now is 105.7 secs Computing kpt #: 280 total cpu time spent up to now is 106.0 secs Computing kpt #: 281 total cpu time spent up to now is 106.3 secs Computing kpt #: 282 total cpu time spent up to now is 106.7 secs Computing kpt #: 283 total cpu time spent up to now is 107.0 secs Computing kpt #: 284 total cpu time spent up to now is 107.4 secs Computing kpt #: 285 total cpu time spent up to now is 107.7 secs Computing kpt #: 286 total cpu time spent up to now is 108.0 secs Computing kpt #: 287 total cpu time spent up to now is 108.4 secs Computing kpt #: 288 total cpu time spent up to now is 108.7 secs Computing kpt #: 289 total cpu time spent up to now is 109.1 secs Computing kpt #: 290 total cpu time spent up to now is 109.4 secs Computing kpt #: 291 total cpu time spent up to now is 109.7 secs Computing kpt #: 292 total cpu time spent up to now is 110.1 secs Computing kpt #: 293 total cpu time spent up to now is 110.4 secs Computing kpt #: 294 total cpu time spent up to now is 110.8 secs Computing kpt #: 295 total cpu time spent up to now is 111.1 secs Computing kpt #: 296 total cpu time spent up to now is 111.5 secs Computing kpt #: 297 total cpu time spent up to now is 111.8 secs Computing kpt #: 298 total cpu time spent up to now is 112.2 secs Computing kpt #: 299 total cpu time spent up to now is 112.5 secs Computing kpt #: 300 total cpu time spent up to now is 112.9 secs Computing kpt #: 301 total cpu time spent up to now is 113.2 secs Computing kpt #: 302 total cpu time spent up to now is 113.6 secs Computing kpt #: 303 total cpu time spent up to now is 113.9 secs Computing kpt #: 304 total cpu time spent up to now is 114.3 secs Computing kpt #: 305 total cpu time spent up to now is 114.6 secs Computing kpt #: 306 total cpu time spent up to now is 115.0 secs Computing kpt #: 307 total cpu time spent up to now is 115.3 secs Computing kpt #: 308 total cpu time spent up to now is 115.7 secs Computing kpt #: 309 total cpu time spent up to now is 116.0 secs Computing kpt #: 310 total cpu time spent up to now is 116.4 secs Computing kpt #: 311 total cpu time spent up to now is 116.7 secs Computing kpt #: 312 total cpu time spent up to now is 117.1 secs Computing kpt #: 313 total cpu time spent up to now is 117.4 secs Computing kpt #: 314 total cpu time spent up to now is 117.8 secs Computing kpt #: 315 total cpu time spent up to now is 118.1 secs Computing kpt #: 316 total cpu time spent up to now is 118.5 secs Computing kpt #: 317 total cpu time spent up to now is 118.8 secs Computing kpt #: 318 total cpu time spent up to now is 119.2 secs Computing kpt #: 319 total cpu time spent up to now is 119.6 secs Computing kpt #: 320 total cpu time spent up to now is 119.9 secs Computing kpt #: 321 total cpu time spent up to now is 120.3 secs Computing kpt #: 322 total cpu time spent up to now is 120.7 secs Computing kpt #: 323 total cpu time spent up to now is 121.1 secs Computing kpt #: 324 total cpu time spent up to now is 121.4 secs Computing kpt #: 325 total cpu time spent up to now is 121.9 secs Computing kpt #: 326 total cpu time spent up to now is 122.3 secs Computing kpt #: 327 total cpu time spent up to now is 122.9 secs Computing kpt #: 328 total cpu time spent up to now is 123.4 secs Computing kpt #: 329 total cpu time spent up to now is 123.9 secs Computing kpt #: 330 total cpu time spent up to now is 124.4 secs Computing kpt #: 331 total cpu time spent up to now is 124.9 secs Computing kpt #: 332 total cpu time spent up to now is 125.4 secs Computing kpt #: 333 total cpu time spent up to now is 125.9 secs Computing kpt #: 334 total cpu time spent up to now is 126.3 secs Computing kpt #: 335 total cpu time spent up to now is 126.7 secs Computing kpt #: 336 total cpu time spent up to now is 127.1 secs Computing kpt #: 337 total cpu time spent up to now is 127.4 secs Computing kpt #: 338 total cpu time spent up to now is 127.8 secs Computing kpt #: 339 total cpu time spent up to now is 128.2 secs ethr = 3.13E-08, avg # of iterations = 14.0 total cpu time spent up to now is 128.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7119 PWs) bands (ev): -39.0198 -39.0198 -38.9691 -38.9691 -7.4330 -7.4330 -7.4330 -7.4330 -7.3860 -7.3860 -7.3860 -7.3860 -7.0559 -7.0559 -6.9210 -6.9210 -6.9210 -6.9210 -6.8472 -6.8472 -6.8472 -6.8472 -6.8149 -6.8149 -2.1472 -2.1472 8.6842 8.6842 8.8574 8.8574 8.8574 8.8574 8.8700 8.8700 9.2643 9.2643 9.3655 9.3655 9.3655 9.3655 k = 0.0098-0.0057 0.0080 ( 7119 PWs) bands (ev): -39.0198 -39.0198 -38.9691 -38.9691 -7.4330 -7.4330 -7.4330 -7.4330 -7.3861 -7.3861 -7.3860 -7.3860 -7.0559 -7.0559 -6.9211 -6.9211 -6.9210 -6.9210 -6.8472 -6.8472 -6.8471 -6.8471 -6.8149 -6.8149 -2.1460 -2.1460 8.6275 8.6275 8.7515 8.7515 8.8128 8.8128 9.0004 9.0004 9.2913 9.2913 9.3834 9.3834 9.3997 9.3997 k = 0.0196-0.0113 0.0160 ( 7119 PWs) bands (ev): -39.0198 -39.0198 -38.9691 -38.9691 -7.4330 -7.4330 -7.4329 -7.4329 -7.3862 -7.3862 -7.3859 -7.3859 -7.0557 -7.0557 -6.9215 -6.9215 -6.9210 -6.9210 -6.8472 -6.8472 -6.8469 -6.8469 -6.8150 -6.8150 -2.1422 -2.1422 8.5024 8.5024 8.6491 8.6491 8.7116 8.7116 9.1467 9.1467 9.3129 9.3129 9.4635 9.4635 9.4869 9.4869 k = 0.0294-0.0170 0.0240 ( 7095 PWs) bands (ev): -39.0197 -39.0197 -38.9692 -38.9692 -7.4330 -7.4330 -7.4329 -7.4329 -7.3863 -7.3863 -7.3858 -7.3858 -7.0553 -7.0553 -6.9221 -6.9221 -6.9209 -6.9209 -6.8472 -6.8472 -6.8465 -6.8465 -6.8150 -6.8150 -2.1360 -2.1360 8.3593 8.3593 8.5359 8.5359 8.5897 8.5897 9.2966 9.2966 9.3120 9.3120 9.5874 9.5874 9.6031 9.6031 k = 0.0392-0.0226 0.0320 ( 7095 PWs) bands (ev): -39.0196 -39.0196 -38.9692 -38.9692 -7.4331 -7.4331 -7.4328 -7.4328 -7.3865 -7.3865 -7.3856 -7.3856 -7.0548 -7.0548 -6.9229 -6.9229 -6.9207 -6.9207 -6.8472 -6.8472 -6.8460 -6.8460 -6.8152 -6.8152 -2.1273 -2.1273 8.2115 8.2115 8.4145 8.4145 8.4607 8.4607 9.3032 9.3032 9.4483 9.4483 9.7266 9.7266 9.7343 9.7343 k = 0.0490-0.0283 0.0400 ( 7079 PWs) bands (ev): -39.0195 -39.0195 -38.9693 -38.9693 -7.4331 -7.4331 -7.4326 -7.4326 -7.3867 -7.3867 -7.3853 -7.3853 -7.0542 -7.0542 -6.9239 -6.9239 -6.9206 -6.9206 -6.8472 -6.8472 -6.8454 -6.8454 -6.8153 -6.8153 -2.1162 -2.1162 8.0619 8.0619 8.2891 8.2891 8.3295 8.3295 9.2901 9.2901 9.6009 9.6009 9.8727 9.8727 9.8737 9.8737 k = 0.0588-0.0340 0.0480 ( 7071 PWs) bands (ev): -39.0194 -39.0194 -38.9695 -38.9695 -7.4331 -7.4331 -7.4325 -7.4325 -7.3870 -7.3870 -7.3850 -7.3850 -7.0534 -7.0534 -6.9250 -6.9250 -6.9204 -6.9204 -6.8472 -6.8472 -6.8447 -6.8447 -6.8155 -6.8155 -2.1025 -2.1025 7.9112 7.9112 8.1623 8.1623 8.1983 8.1983 9.2737 9.2737 9.7542 9.7542 10.0181 10.0181 10.0226 10.0226 k = 0.0686-0.0396 0.0560 ( 7079 PWs) bands (ev): -39.0193 -39.0193 -38.9696 -38.9696 -7.4332 -7.4332 -7.4323 -7.4323 -7.3874 -7.3874 -7.3846 -7.3846 -7.0525 -7.0525 -6.9264 -6.9264 -6.9202 -6.9202 -6.8472 -6.8472 -6.8440 -6.8440 -6.8157 -6.8157 -2.0864 -2.0864 7.7597 7.7597 8.0355 8.0355 8.0681 8.0681 9.2543 9.2543 9.9078 9.9078 10.1654 10.1654 10.1748 10.1748 k = 0.0784-0.0453 0.0640 ( 7083 PWs) bands (ev): -39.0191 -39.0191 -38.9698 -38.9698 -7.4332 -7.4332 -7.4321 -7.4321 -7.3877 -7.3877 -7.3842 -7.3842 -7.0514 -7.0514 -6.9279 -6.9279 -6.9200 -6.9200 -6.8471 -6.8471 -6.8431 -6.8431 -6.8159 -6.8159 -2.0677 -2.0677 7.6076 7.6076 7.9096 7.9096 7.9394 7.9394 9.2325 9.2325 10.0610 10.0610 10.3146 10.3146 10.3284 10.3284 k = 0.0882-0.0509 0.0720 ( 7091 PWs) bands (ev): -39.0189 -39.0189 -38.9700 -38.9700 -7.4333 -7.4333 -7.4319 -7.4319 -7.3882 -7.3882 -7.3837 -7.3837 -7.0503 -7.0503 -6.9295 -6.9295 -6.9197 -6.9197 -6.8471 -6.8471 -6.8422 -6.8422 -6.8161 -6.8161 -2.0466 -2.0466 7.4547 7.4547 7.7850 7.7850 7.8125 7.8125 9.2083 9.2083 10.2129 10.2129 10.4648 10.4648 10.4827 10.4827 k = 0.0980-0.0566 0.0800 ( 7075 PWs) bands (ev): -39.0186 -39.0186 -38.9702 -38.9702 -7.4334 -7.4334 -7.4316 -7.4316 -7.3886 -7.3886 -7.3832 -7.3832 -7.0490 -7.0490 -6.9313 -6.9313 -6.9195 -6.9195 -6.8470 -6.8470 -6.8413 -6.8413 -6.8163 -6.8163 -2.0230 -2.0230 7.3012 7.3012 7.6623 7.6623 7.6878 7.6878 9.1821 9.1821 10.3615 10.3615 10.6151 10.6151 10.6371 10.6371 k = 0.1078-0.0623 0.0881 ( 7087 PWs) bands (ev): -39.0184 -39.0184 -38.9704 -38.9704 -7.4334 -7.4334 -7.4314 -7.4314 -7.3892 -7.3892 -7.3826 -7.3826 -7.0476 -7.0476 -6.9332 -6.9332 -6.9192 -6.9192 -6.8469 -6.8469 -6.8405 -6.8405 -6.8166 -6.8166 -1.9970 -1.9970 7.1470 7.1470 7.5415 7.5415 7.5654 7.5654 9.1541 9.1541 10.5019 10.5019 10.7647 10.7647 10.7909 10.7909 k = 0.1176-0.0679 0.0961 ( 7079 PWs) bands (ev): -39.0181 -39.0181 -38.9707 -38.9707 -7.4335 -7.4335 -7.4311 -7.4311 -7.3897 -7.3897 -7.3821 -7.3821 -7.0460 -7.0460 -6.9351 -6.9351 -6.9189 -6.9189 -6.8468 -6.8468 -6.8396 -6.8396 -6.8168 -6.8168 -1.9684 -1.9684 6.9920 6.9920 7.4229 7.4229 7.4453 7.4453 9.1246 9.1246 10.6213 10.6213 10.9123 10.9123 10.9437 10.9437 k = 0.1275-0.0736 0.1041 ( 7083 PWs) bands (ev): -39.0178 -39.0178 -38.9710 -38.9710 -7.4336 -7.4336 -7.4307 -7.4307 -7.3903 -7.3903 -7.3814 -7.3814 -7.0444 -7.0444 -6.9371 -6.9371 -6.9187 -6.9187 -6.8466 -6.8466 -6.8388 -6.8388 -6.8169 -6.8169 -1.9373 -1.9373 6.8362 6.8362 7.3067 7.3067 7.3277 7.3277 9.0937 9.0937 10.6873 10.6873 11.0534 11.0534 11.0949 11.0949 k = 0.1373-0.0792 0.1121 ( 7083 PWs) bands (ev): -39.0175 -39.0175 -38.9713 -38.9713 -7.4336 -7.4336 -7.4304 -7.4304 -7.3909 -7.3909 -7.3808 -7.3808 -7.0427 -7.0427 -6.9392 -6.9392 -6.9185 -6.9185 -6.8464 -6.8464 -6.8382 -6.8382 -6.8170 -6.8170 -1.9038 -1.9038 6.6797 6.6797 7.1928 7.1928 7.2127 7.2127 9.0617 9.0617 10.6651 10.6651 11.1773 11.1773 11.2439 11.2439 k = 0.1471-0.0849 0.1201 ( 7083 PWs) bands (ev): -39.0171 -39.0171 -38.9716 -38.9716 -7.4337 -7.4337 -7.4300 -7.4300 -7.3915 -7.3915 -7.3802 -7.3802 -7.0408 -7.0408 -6.9413 -6.9413 -6.9183 -6.9183 -6.8461 -6.8461 -6.8376 -6.8376 -6.8171 -6.8171 -1.8677 -1.8677 6.5224 6.5224 7.0815 7.0815 7.1003 7.1003 9.0289 9.0289 10.5794 10.5794 11.3011 11.3011 11.3894 11.3894 k = 0.1569-0.0906 0.1281 ( 7075 PWs) bands (ev): -39.0168 -39.0168 -38.9720 -38.9720 -7.4337 -7.4337 -7.4295 -7.4295 -7.3921 -7.3921 -7.3795 -7.3795 -7.0389 -7.0389 -6.9434 -6.9434 -6.9181 -6.9181 -6.8457 -6.8457 -6.8372 -6.8372 -6.8170 -6.8170 -1.8292 -1.8292 6.3644 6.3644 6.9728 6.9728 6.9906 6.9906 8.9953 8.9953 10.4689 10.4689 11.4367 11.4367 11.5334 11.5334 k = 0.1667-0.0962 0.1361 ( 7075 PWs) bands (ev): -39.0164 -39.0164 -38.9724 -38.9724 -7.4337 -7.4337 -7.4291 -7.4291 -7.3928 -7.3928 -7.3789 -7.3789 -7.0369 -7.0369 -6.9455 -6.9455 -6.9180 -6.9180 -6.8453 -6.8453 -6.8370 -6.8370 -6.8168 -6.8168 -1.7882 -1.7882 6.2056 6.2056 6.8667 6.8667 6.8836 6.8836 8.9612 8.9612 10.3509 10.3509 11.5757 11.5757 11.6730 11.6730 k = 0.1765-0.1019 0.1441 ( 7063 PWs) bands (ev): -39.0160 -39.0160 -38.9728 -38.9728 -7.4338 -7.4338 -7.4286 -7.4286 -7.3935 -7.3935 -7.3782 -7.3782 -7.0348 -7.0348 -6.9477 -6.9477 -6.9179 -6.9179 -6.8448 -6.8448 -6.8370 -6.8370 -6.8165 -6.8165 -1.7447 -1.7447 6.0462 6.0462 6.7634 6.7634 6.7793 6.7793 8.9268 8.9268 10.2318 10.2318 11.7124 11.7124 11.8088 11.8088 k = 0.1863-0.1075 0.1521 ( 7071 PWs) bands (ev): -39.0155 -39.0155 -38.9732 -38.9732 -7.4338 -7.4338 -7.4281 -7.4281 -7.3942 -7.3942 -7.3776 -7.3776 -7.0326 -7.0326 -6.9498 -6.9498 -6.9178 -6.9178 -6.8443 -6.8443 -6.8372 -6.8372 -6.8161 -6.8161 -1.6987 -1.6987 5.8862 5.8862 6.6627 6.6627 6.6779 6.6779 8.8922 8.8922 10.1142 10.1142 11.8450 11.8450 11.9408 11.9408 k = 0.1961-0.1132 0.1601 ( 7063 PWs) bands (ev): -39.0151 -39.0151 -38.9736 -38.9736 -7.4338 -7.4338 -7.4276 -7.4276 -7.3948 -7.3948 -7.3770 -7.3770 -7.0304 -7.0304 -6.9519 -6.9519 -6.9178 -6.9178 -6.8436 -6.8436 -6.8377 -6.8377 -6.8155 -6.8155 -1.6502 -1.6502 5.7257 5.7257 6.5649 6.5649 6.5792 6.5792 8.8576 8.8576 9.9995 9.9995 11.9731 11.9732 12.0690 12.0690 k = 0.2059-0.1189 0.1681 ( 7063 PWs) bands (ev): -39.0146 -39.0146 -38.9741 -38.9741 -7.4338 -7.4338 -7.4271 -7.4271 -7.3955 -7.3955 -7.3764 -7.3764 -7.0281 -7.0281 -6.9540 -6.9540 -6.9179 -6.9179 -6.8429 -6.8429 -6.8383 -6.8383 -6.8149 -6.8149 -1.5992 -1.5992 5.5648 5.5648 6.4698 6.4698 6.4835 6.4835 8.8231 8.8231 9.8883 9.8883 12.0973 12.0973 12.1936 12.1936 k = 0.2157-0.1245 0.1761 ( 7063 PWs) bands (ev): -39.0141 -39.0141 -38.9745 -38.9745 -7.4338 -7.4338 -7.4266 -7.4266 -7.3962 -7.3962 -7.3758 -7.3758 -7.0257 -7.0257 -6.9560 -6.9560 -6.9180 -6.9180 -6.8420 -6.8420 -6.8392 -6.8392 -6.8141 -6.8141 -1.5457 -1.5457 5.4035 5.4035 6.3777 6.3777 6.3906 6.3906 8.7889 8.7889 9.7811 9.7811 12.2179 12.2179 12.3151 12.3151 k = 0.2255-0.1302 0.1841 ( 7063 PWs) bands (ev): -39.0136 -39.0136 -38.9750 -38.9750 -7.4338 -7.4338 -7.4260 -7.4260 -7.3968 -7.3968 -7.3752 -7.3752 -7.0233 -7.0233 -6.9580 -6.9580 -6.9182 -6.9182 -6.8411 -6.8411 -6.8402 -6.8402 -6.8133 -6.8133 -1.4897 -1.4897 5.2420 5.2420 6.2884 6.2884 6.3006 6.3006 8.7551 8.7551 9.6780 9.6780 12.3358 12.3358 12.4337 12.4337 k = 0.2353-0.1358 0.1921 ( 7071 PWs) bands (ev): -39.0131 -39.0131 -38.9756 -38.9756 -7.4337 -7.4337 -7.4254 -7.4254 -7.3974 -7.3974 -7.3747 -7.3747 -7.0208 -7.0208 -6.9599 -6.9599 -6.9185 -6.9185 -6.8414 -6.8414 -6.8401 -6.8401 -6.8124 -6.8124 -1.4312 -1.4312 5.0804 5.0804 6.2020 6.2020 6.2136 6.2136 8.7219 8.7219 9.5791 9.5791 12.4515 12.4515 12.5501 12.5501 k = 0.2451-0.1415 0.2001 ( 7059 PWs) bands (ev): -39.0125 -39.0125 -38.9761 -38.9761 -7.4337 -7.4337 -7.4249 -7.4249 -7.3980 -7.3980 -7.3743 -7.3743 -7.0184 -7.0184 -6.9618 -6.9618 -6.9187 -6.9187 -6.8427 -6.8427 -6.8390 -6.8390 -6.8115 -6.8115 -1.3703 -1.3703 4.9188 4.9188 6.1185 6.1185 6.1296 6.1296 8.6892 8.6892 9.4846 9.4846 12.5655 12.5655 12.6648 12.6648 k = 0.2549-0.1472 0.2081 ( 7059 PWs) bands (ev): -39.0120 -39.0120 -38.9766 -38.9766 -7.4336 -7.4336 -7.4243 -7.4243 -7.3986 -7.3986 -7.3738 -7.3738 -7.0158 -7.0158 -6.9636 -6.9636 -6.9191 -6.9191 -6.8442 -6.8442 -6.8378 -6.8378 -6.8105 -6.8105 -1.3068 -1.3068 4.7574 4.7574 6.0381 6.0381 6.0485 6.0485 8.6572 8.6572 9.3943 9.3943 12.6784 12.6784 12.7782 12.7782 k = 0.2647-0.1528 0.2161 ( 7075 PWs) bands (ev): -39.0114 -39.0114 -38.9772 -38.9772 -7.4335 -7.4335 -7.4238 -7.4238 -7.3991 -7.3991 -7.3734 -7.3734 -7.0133 -7.0133 -6.9653 -6.9653 -6.9195 -6.9195 -6.8458 -6.8458 -6.8366 -6.8366 -6.8096 -6.8096 -1.2409 -1.2409 4.5962 4.5962 5.9606 5.9606 5.9705 5.9705 8.6261 8.6261 9.3082 9.3082 12.7908 12.7908 12.8910 12.8910 k = 0.2745-0.1585 0.2241 ( 7063 PWs) bands (ev): -39.0108 -39.0108 -38.9778 -38.9778 -7.4334 -7.4334 -7.4233 -7.4233 -7.3995 -7.3995 -7.3731 -7.3731 -7.0108 -7.0108 -6.9669 -6.9669 -6.9199 -6.9199 -6.8475 -6.8475 -6.8353 -6.8353 -6.8086 -6.8086 -1.1724 -1.1724 4.4354 4.4354 5.8861 5.8861 5.8954 5.8954 8.5958 8.5958 9.2263 9.2263 12.9029 12.9029 13.0034 13.0034 k = 0.2843-0.1641 0.2321 ( 7059 PWs) bands (ev): -39.0102 -39.0102 -38.9784 -38.9784 -7.4333 -7.4333 -7.4228 -7.4228 -7.3998 -7.3998 -7.3729 -7.3729 -7.0083 -7.0083 -6.9684 -6.9684 -6.9203 -6.9203 -6.8494 -6.8494 -6.8339 -6.8339 -6.8077 -6.8077 -1.1015 -1.1015 4.2751 4.2751 5.8146 5.8146 5.8235 5.8235 8.5665 8.5665 9.1485 9.1485 13.0153 13.0153 13.1160 13.1160 k = 0.2941-0.1698 0.2401 ( 7075 PWs) bands (ev): -39.0096 -39.0096 -38.9790 -38.9790 -7.4332 -7.4332 -7.4223 -7.4223 -7.4001 -7.4001 -7.3727 -7.3727 -7.0057 -7.0057 -6.9699 -6.9699 -6.9208 -6.9208 -6.8513 -6.8513 -6.8324 -6.8324 -6.8068 -6.8068 -1.0280 -1.0280 4.1155 4.1155 5.7462 5.7462 5.7545 5.7545 8.5383 8.5383 9.0748 9.0748 13.1282 13.1282 13.2290 13.2290 k = 0.3039-0.1755 0.2482 ( 7075 PWs) bands (ev): -39.0089 -39.0089 -38.9796 -38.9796 -7.4331 -7.4331 -7.4220 -7.4220 -7.4003 -7.4003 -7.3725 -7.3725 -7.0033 -7.0033 -6.9712 -6.9712 -6.9212 -6.9212 -6.8533 -6.8533 -6.8310 -6.8310 -6.8059 -6.8059 -0.9521 -0.9521 3.9566 3.9566 5.6808 5.6808 5.6887 5.6887 8.5112 8.5112 9.0050 9.0050 13.2419 13.2419 13.3428 13.3428 k = 0.3137-0.1811 0.2562 ( 7071 PWs) bands (ev): -39.0083 -39.0083 -38.9802 -38.9802 -7.4329 -7.4329 -7.4217 -7.4217 -7.4003 -7.4003 -7.3724 -7.3724 -7.0008 -7.0008 -6.9725 -6.9725 -6.9216 -6.9216 -6.8554 -6.8554 -6.8294 -6.8294 -6.8051 -6.8051 -0.8737 -0.8737 3.7985 3.7985 5.6186 5.6186 5.6260 5.6260 8.4853 8.4853 8.9390 8.9390 13.3567 13.3567 13.4577 13.4577 k = 0.3235-0.1868 0.2642 ( 7095 PWs) bands (ev): -39.0076 -39.0076 -38.9809 -38.9809 -7.4327 -7.4327 -7.4214 -7.4214 -7.4003 -7.4003 -7.3724 -7.3724 -6.9984 -6.9984 -6.9736 -6.9736 -6.9220 -6.9220 -6.8577 -6.8577 -6.8279 -6.8279 -6.8043 -6.8043 -0.7929 -0.7929 3.6414 3.6414 5.5594 5.5594 5.5663 5.5663 8.4606 8.4606 8.8767 8.8767 13.4728 13.4728 13.5738 13.5738 k = 0.3333-0.1925 0.2722 ( 7079 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4325 -7.4325 -7.4213 -7.4213 -7.4001 -7.4001 -7.3725 -7.3725 -6.9961 -6.9961 -6.9747 -6.9747 -6.9224 -6.9224 -6.8599 -6.8599 -6.8263 -6.8263 -6.8036 -6.8036 -0.7095 -0.7095 3.4854 3.4854 5.5033 5.5033 5.5098 5.5098 8.4373 8.4373 8.8181 8.8181 13.5904 13.5904 13.6914 13.6914 k = 0.3431-0.1981 0.2802 ( 7087 PWs) bands (ev): -39.0062 -39.0062 -38.9823 -38.9823 -7.4323 -7.4323 -7.4212 -7.4212 -7.3998 -7.3998 -7.3727 -7.3727 -6.9939 -6.9939 -6.9756 -6.9756 -6.9226 -6.9226 -6.8623 -6.8623 -6.8247 -6.8247 -6.8030 -6.8030 -0.6237 -0.6237 3.3306 3.3306 5.4504 5.4504 5.4565 5.4565 8.4154 8.4154 8.7631 8.7631 13.7096 13.7096 13.8106 13.8106 k = 0.3529-0.2038 0.2882 ( 7067 PWs) bands (ev): -39.0055 -39.0055 -38.9829 -38.9829 -7.4321 -7.4321 -7.4212 -7.4212 -7.3993 -7.3993 -7.3729 -7.3729 -6.9918 -6.9918 -6.9764 -6.9764 -6.9228 -6.9228 -6.8647 -6.8647 -6.8231 -6.8231 -6.8024 -6.8024 -0.5354 -0.5354 3.1770 3.1770 5.4006 5.4006 5.4063 5.4063 8.3949 8.3949 8.7115 8.7115 13.8306 13.8306 13.9315 13.9315 k = 0.3627-0.2094 0.2962 ( 7055 PWs) bands (ev): -39.0048 -39.0048 -38.9836 -38.9836 -7.4319 -7.4319 -7.4213 -7.4213 -7.3987 -7.3987 -7.3732 -7.3732 -6.9898 -6.9898 -6.9771 -6.9771 -6.9228 -6.9228 -6.8672 -6.8672 -6.8215 -6.8215 -6.8019 -6.8019 -0.4447 -0.4447 3.0249 3.0249 5.3540 5.3540 5.3592 5.3592 8.3758 8.3758 8.6633 8.6633 13.9534 13.9534 14.0543 14.0543 k = 0.3725-0.2151 0.3042 ( 7055 PWs) bands (ev): -39.0041 -39.0041 -38.9843 -38.9843 -7.4316 -7.4316 -7.4215 -7.4215 -7.3981 -7.3981 -7.3736 -7.3736 -6.9879 -6.9879 -6.9777 -6.9777 -6.9227 -6.9227 -6.8697 -6.8697 -6.8199 -6.8199 -6.8014 -6.8014 -0.3515 -0.3515 2.8741 2.8741 5.3106 5.3106 5.3154 5.3154 8.3584 8.3584 8.6183 8.6183 14.0781 14.0781 14.1790 14.1790 k = 0.3824-0.2208 0.3122 ( 7071 PWs) bands (ev): -39.0034 -39.0034 -38.9851 -38.9851 -7.4314 -7.4314 -7.4217 -7.4217 -7.3973 -7.3973 -7.3740 -7.3740 -6.9862 -6.9862 -6.9783 -6.9783 -6.9224 -6.9224 -6.8723 -6.8723 -6.8183 -6.8183 -6.8011 -6.8011 -0.2558 -0.2558 2.7249 2.7249 5.2703 5.2703 5.2747 5.2747 8.3425 8.3425 8.5765 8.5765 14.2049 14.2049 14.3057 14.3057 k = 0.3922-0.2264 0.3202 ( 7087 PWs) bands (ev): -39.0026 -39.0026 -38.9858 -38.9858 -7.4311 -7.4311 -7.4220 -7.4220 -7.3964 -7.3964 -7.3745 -7.3745 -6.9847 -6.9847 -6.9787 -6.9787 -6.9220 -6.9220 -6.8750 -6.8750 -6.8168 -6.8168 -6.8008 -6.8008 -0.1578 -0.1578 2.5773 2.5773 5.2332 5.2332 5.2373 5.2373 8.3283 8.3283 8.5379 8.5379 14.3336 14.3336 14.4344 14.4344 k = 0.4020-0.2321 0.3282 ( 7099 PWs) bands (ev): -39.0019 -39.0019 -38.9865 -38.9865 -7.4308 -7.4308 -7.4224 -7.4224 -7.3955 -7.3955 -7.3751 -7.3751 -6.9833 -6.9833 -6.9790 -6.9790 -6.9214 -6.9214 -6.8776 -6.8776 -6.8153 -6.8153 -6.8006 -6.8006 -0.0573 -0.0573 2.4314 2.4314 5.1994 5.1994 5.2030 5.2030 8.3157 8.3157 8.5022 8.5022 14.4644 14.4644 14.5652 14.5652 k = 0.4118-0.2377 0.3362 ( 7091 PWs) bands (ev): -39.0012 -39.0012 -38.9873 -38.9873 -7.4304 -7.4304 -7.4228 -7.4228 -7.3945 -7.3945 -7.3758 -7.3758 -6.9822 -6.9822 -6.9792 -6.9792 -6.9205 -6.9205 -6.8803 -6.8803 -6.8138 -6.8138 -6.8005 -6.8005 0.0456 0.0456 2.2873 2.2873 5.1687 5.1687 5.1720 5.1720 8.3050 8.3050 8.4695 8.4695 14.5973 14.5973 14.6979 14.6979 k = 0.4216-0.2434 0.3442 ( 7091 PWs) bands (ev): -39.0004 -39.0004 -38.9880 -38.9880 -7.4301 -7.4301 -7.4232 -7.4232 -7.3934 -7.3934 -7.3765 -7.3765 -6.9812 -6.9812 -6.9794 -6.9794 -6.9194 -6.9194 -6.8830 -6.8830 -6.8124 -6.8124 -6.8004 -6.8004 0.1509 0.1509 2.1449 2.1449 5.1413 5.1413 5.1442 5.1442 8.2960 8.2960 8.4396 8.4396 14.7321 14.7321 14.8326 14.8326 k = 0.4314-0.2491 0.3522 ( 7087 PWs) bands (ev): -38.9996 -38.9996 -38.9888 -38.9888 -7.4297 -7.4297 -7.4236 -7.4236 -7.3923 -7.3923 -7.3773 -7.3773 -6.9804 -6.9804 -6.9795 -6.9795 -6.9182 -6.9182 -6.8858 -6.8858 -6.8110 -6.8110 -6.8005 -6.8005 0.2586 0.2586 2.0045 2.0045 5.1171 5.1171 5.1196 5.1196 8.2889 8.2889 8.4125 8.4125 14.8688 14.8688 14.9691 14.9691 k = 0.4412-0.2547 0.3602 ( 7091 PWs) bands (ev): -38.9989 -38.9989 -38.9895 -38.9895 -7.4294 -7.4294 -7.4241 -7.4241 -7.3912 -7.3912 -7.3781 -7.3781 -6.9798 -6.9798 -6.9795 -6.9795 -6.9167 -6.9167 -6.8885 -6.8885 -6.8097 -6.8097 -6.8007 -6.8007 0.3687 0.3687 1.8659 1.8659 5.0961 5.0961 5.0983 5.0983 8.2836 8.2836 8.3881 8.3881 15.0072 15.0072 15.1071 15.1071 k = 0.4510-0.2604 0.3682 ( 7083 PWs) bands (ev): -38.9981 -38.9981 -38.9903 -38.9903 -7.4290 -7.4290 -7.4245 -7.4245 -7.3901 -7.3901 -7.3791 -7.3791 -6.9795 -6.9795 -6.9794 -6.9794 -6.9150 -6.9150 -6.8912 -6.8912 -6.8085 -6.8085 -6.8009 -6.8009 0.4811 0.4811 1.7294 1.7294 5.0784 5.0784 5.0802 5.0802 8.2804 8.2804 8.3664 8.3664 15.1470 15.1470 15.2462 15.2462 k = 0.4608-0.2660 0.3762 ( 7082 PWs) bands (ev): -38.9973 -38.9973 -38.9911 -38.9911 -7.4286 -7.4286 -7.4250 -7.4250 -7.3889 -7.3889 -7.3800 -7.3800 -6.9794 -6.9794 -6.9791 -6.9791 -6.9131 -6.9131 -6.8939 -6.8939 -6.8074 -6.8074 -6.8013 -6.8013 0.5958 0.5958 1.5948 1.5948 5.0639 5.0639 5.0653 5.0653 8.2791 8.2791 8.3472 8.3472 15.2876 15.2876 15.3853 15.3853 k = 0.4706-0.2717 0.3842 ( 7082 PWs) bands (ev): -38.9965 -38.9965 -38.9919 -38.9919 -7.4282 -7.4282 -7.4255 -7.4255 -7.3877 -7.3877 -7.3810 -7.3810 -6.9793 -6.9793 -6.9789 -6.9789 -6.9111 -6.9111 -6.8966 -6.8966 -6.8063 -6.8063 -6.8017 -6.8017 0.7129 0.7129 1.4623 1.4623 5.0527 5.0527 5.0537 5.0537 8.2798 8.2798 8.3306 8.3306 15.4275 15.4275 15.5222 15.5222 k = 0.4804-0.2774 0.3922 ( 7082 PWs) bands (ev): -38.9958 -38.9958 -38.9926 -38.9926 -7.4277 -7.4277 -7.4259 -7.4259 -7.3866 -7.3866 -7.3821 -7.3821 -6.9791 -6.9791 -6.9788 -6.9788 -6.9090 -6.9090 -6.8992 -6.8992 -6.8053 -6.8053 -6.8022 -6.8022 0.8322 0.8322 1.3319 1.3319 5.0447 5.0447 5.0454 5.0454 8.2827 8.2827 8.3163 8.3163 15.5638 15.5638 15.6506 15.6506 k = 0.4902-0.2830 0.4002 ( 7082 PWs) bands (ev): -38.9950 -38.9950 -38.9934 -38.9934 -7.4273 -7.4273 -7.4264 -7.4264 -7.3854 -7.3854 -7.3832 -7.3832 -6.9790 -6.9790 -6.9789 -6.9789 -6.9067 -6.9067 -6.9018 -6.9018 -6.8044 -6.8044 -6.8029 -6.8029 0.9538 0.9538 1.2037 1.2037 5.0400 5.0400 5.0403 5.0403 8.2878 8.2878 8.3045 8.3045 15.6874 15.6874 15.7503 15.7503 k = 0.5000-0.2887 0.4082 ( 7078 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4269 -7.4269 -7.4269 -7.4269 -7.3843 -7.3843 -7.3843 -7.3843 -6.9789 -6.9789 -6.9789 -6.9789 -6.9043 -6.9043 -6.9043 -6.9043 -6.8036 -6.8036 -6.8036 -6.8036 1.0777 1.0777 1.0777 1.0777 5.0385 5.0385 5.0385 5.0385 8.2950 8.2950 8.2950 8.2950 15.7682 15.7682 15.7682 15.7682 k = 0.5000-0.2887 0.4082 ( 7078 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4269 -7.4269 -7.4269 -7.4269 -7.3843 -7.3843 -7.3843 -7.3843 -6.9789 -6.9789 -6.9789 -6.9789 -6.9043 -6.9043 -6.9043 -6.9043 -6.8036 -6.8036 -6.8036 -6.8036 1.0777 1.0777 1.0777 1.0777 5.0385 5.0385 5.0385 5.0385 8.2950 8.2950 8.2950 8.2950 15.7682 15.7682 15.7682 15.7682 k = 0.5000-0.2776 0.4161 ( 7074 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4270 -7.4270 -7.4267 -7.4267 -7.3850 -7.3850 -7.3834 -7.3834 -6.9803 -6.9803 -6.9775 -6.9775 -6.9052 -6.9052 -6.9034 -6.9034 -6.8053 -6.8053 -6.8019 -6.8019 1.0775 1.0775 1.0783 1.0783 5.0346 5.0346 5.0376 5.0376 8.2995 8.2995 8.3017 8.3017 15.7551 15.7551 15.7607 15.7607 k = 0.5000-0.2665 0.4240 ( 7070 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4273 -7.4273 -7.4267 -7.4267 -7.3857 -7.3857 -7.3825 -7.3825 -6.9817 -6.9817 -6.9760 -6.9760 -6.9062 -6.9062 -6.9026 -6.9026 -6.8069 -6.8069 -6.8003 -6.8003 1.0778 1.0778 1.0795 1.0795 5.0258 5.0258 5.0319 5.0319 8.3152 8.3152 8.3194 8.3194 15.7189 15.7189 15.7298 15.7298 k = 0.5000-0.2554 0.4318 ( 7074 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4276 -7.4276 -7.4267 -7.4267 -7.3864 -7.3864 -7.3816 -7.3816 -6.9830 -6.9830 -6.9745 -6.9745 -6.9072 -6.9072 -6.9019 -6.9019 -6.8085 -6.8085 -6.7986 -6.7986 1.0786 1.0786 1.0811 1.0811 5.0125 5.0125 5.0215 5.0215 8.3418 8.3418 8.3480 8.3480 15.6538 15.6538 15.6689 15.6689 k = 0.5000-0.2443 0.4397 ( 7078 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4279 -7.4279 -7.4267 -7.4267 -7.3869 -7.3869 -7.3805 -7.3805 -6.9843 -6.9843 -6.9729 -6.9729 -6.9083 -6.9083 -6.9013 -6.9013 -6.8100 -6.8100 -6.7970 -6.7970 1.0799 1.0799 1.0832 1.0832 4.9950 4.9950 5.0067 5.0067 8.3790 8.3790 8.3872 8.3872 15.5564 15.5564 15.5739 15.5739 k = 0.5000-0.2332 0.4475 ( 7082 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4282 -7.4282 -7.4269 -7.4269 -7.3874 -7.3874 -7.3795 -7.3795 -6.9855 -6.9855 -6.9713 -6.9713 -6.9094 -6.9094 -6.9008 -6.9008 -6.8116 -6.8116 -6.7954 -6.7954 1.0816 1.0816 1.0858 1.0858 4.9736 4.9736 4.9881 4.9881 8.4264 8.4264 8.4365 8.4365 15.4292 15.4292 15.4472 15.4472 k = 0.5000-0.2221 0.4554 ( 7074 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4286 -7.4286 -7.4271 -7.4271 -7.3877 -7.3877 -7.3784 -7.3784 -6.9867 -6.9867 -6.9697 -6.9697 -6.9105 -6.9105 -6.9004 -6.9004 -6.8130 -6.8130 -6.7938 -6.7938 1.0838 1.0838 1.0888 1.0888 4.9489 4.9489 4.9659 4.9659 8.4836 8.4836 8.4953 8.4953 15.2785 15.2785 15.2962 15.2962 k = 0.5000-0.2110 0.4632 ( 7076 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4290 -7.4290 -7.4273 -7.4273 -7.3880 -7.3880 -7.3773 -7.3773 -6.9879 -6.9879 -6.9681 -6.9681 -6.9116 -6.9116 -6.9001 -6.9001 -6.8144 -6.8144 -6.7923 -6.7923 1.0863 1.0863 1.0921 1.0921 4.9214 4.9214 4.9408 4.9408 8.5499 8.5499 8.5632 8.5632 15.1109 15.1109 15.1279 15.1279 k = 0.5000-0.1999 0.4711 ( 7064 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4295 -7.4295 -7.4276 -7.4276 -7.3882 -7.3882 -7.3762 -7.3762 -6.9889 -6.9889 -6.9664 -6.9664 -6.9127 -6.9127 -6.9000 -6.9000 -6.8157 -6.8157 -6.7908 -6.7908 1.0892 1.0892 1.0958 1.0958 4.8917 4.8917 4.9133 4.9133 8.6248 8.6248 8.6395 8.6395 14.9317 14.9317 14.9480 14.9480 k = 0.5000-0.1887 0.4789 ( 7060 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4299 -7.4299 -7.4279 -7.4279 -7.3884 -7.3884 -7.3751 -7.3751 -6.9900 -6.9900 -6.9647 -6.9647 -6.9138 -6.9138 -6.9000 -6.9000 -6.8170 -6.8170 -6.7893 -6.7893 1.0924 1.0924 1.0998 1.0998 4.8604 4.8604 4.8840 4.8840 8.7076 8.7076 8.7237 8.7237 14.7447 14.7447 14.7604 14.7604 k = 0.5000-0.1776 0.4868 ( 7064 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4304 -7.4304 -7.4283 -7.4283 -7.3885 -7.3885 -7.3740 -7.3740 -6.9910 -6.9910 -6.9630 -6.9630 -6.9149 -6.9149 -6.9001 -6.9001 -6.8181 -6.8181 -6.7879 -6.7879 1.0959 1.0959 1.1041 1.1041 4.8279 4.8279 4.8535 4.8535 8.7978 8.7978 8.8150 8.8150 14.5528 14.5528 14.5679 14.5679 k = 0.5000-0.1665 0.4946 ( 7072 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4308 -7.4308 -7.4287 -7.4287 -7.3885 -7.3885 -7.3729 -7.3729 -6.9920 -6.9920 -6.9612 -6.9612 -6.9160 -6.9160 -6.9003 -6.9003 -6.8192 -6.8192 -6.7866 -6.7866 1.0996 1.0996 1.1085 1.1085 4.7948 4.7948 4.8222 4.8222 8.8946 8.8946 8.9129 8.9129 14.3580 14.3580 14.3727 14.3727 k = 0.5000-0.1554 0.5025 ( 7072 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4312 -7.4312 -7.4292 -7.4292 -7.3885 -7.3885 -7.3719 -7.3719 -6.9929 -6.9929 -6.9595 -6.9595 -6.9170 -6.9170 -6.9007 -6.9007 -6.8202 -6.8202 -6.7853 -6.7853 1.1035 1.1035 1.1131 1.1131 4.7617 4.7617 4.7907 4.7907 8.9975 8.9975 9.0168 9.0168 14.1620 14.1620 14.1762 14.1762 k = 0.5000-0.1443 0.5103 ( 7074 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4317 -7.4317 -7.4296 -7.4296 -7.3885 -7.3885 -7.3709 -7.3709 -6.9937 -6.9937 -6.9577 -6.9577 -6.9180 -6.9180 -6.9012 -6.9012 -6.8211 -6.8211 -6.7841 -6.7841 1.1074 1.1074 1.1177 1.1177 4.7289 4.7289 4.7594 4.7594 9.1058 9.1058 9.1260 9.1260 13.9661 13.9661 13.9798 13.9798 k = 0.5000-0.1332 0.5182 ( 7064 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4321 -7.4321 -7.4300 -7.4300 -7.3884 -7.3884 -7.3699 -7.3699 -6.9945 -6.9945 -6.9560 -6.9560 -6.9190 -6.9190 -6.9018 -6.9018 -6.8219 -6.8219 -6.7830 -6.7830 1.1114 1.1114 1.1224 1.1224 4.6969 4.6969 4.7288 4.7288 9.2188 9.2188 9.2399 9.2399 13.7713 13.7713 13.7846 13.7846 k = 0.5000-0.1221 0.5260 ( 7054 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4325 -7.4325 -7.4305 -7.4305 -7.3883 -7.3883 -7.3690 -7.3690 -6.9952 -6.9952 -6.9542 -6.9542 -6.9199 -6.9199 -6.9025 -6.9025 -6.8226 -6.8226 -6.7820 -6.7820 1.1154 1.1154 1.1270 1.1270 4.6662 4.6662 4.6992 4.6992 9.3358 9.3358 9.3578 9.3578 13.5788 13.5788 13.5915 13.5915 k = 0.5000-0.1110 0.5339 ( 7062 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4329 -7.4329 -7.4309 -7.4309 -7.3882 -7.3882 -7.3681 -7.3681 -6.9959 -6.9959 -6.9525 -6.9525 -6.9207 -6.9207 -6.9034 -6.9034 -6.8232 -6.8232 -6.7810 -6.7810 1.1193 1.1193 1.1315 1.1315 4.6369 4.6369 4.6711 4.6711 9.4560 9.4560 9.4788 9.4788 13.3893 13.3893 13.4016 13.4016 k = 0.5000-0.0999 0.5417 ( 7078 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4332 -7.4332 -7.4313 -7.4313 -7.3881 -7.3881 -7.3673 -7.3673 -6.9965 -6.9965 -6.9508 -6.9508 -6.9215 -6.9215 -6.9043 -6.9043 -6.8238 -6.8238 -6.7801 -6.7801 1.1231 1.1231 1.1358 1.1358 4.6096 4.6096 4.6447 4.6447 9.5785 9.5785 9.6021 9.6021 13.2041 13.2041 13.2158 13.2158 k = 0.5000-0.0888 0.5496 ( 7080 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4335 -7.4335 -7.4316 -7.4316 -7.3880 -7.3880 -7.3665 -7.3665 -6.9971 -6.9971 -6.9492 -6.9492 -6.9222 -6.9222 -6.9052 -6.9052 -6.8242 -6.8242 -6.7793 -6.7793 1.1267 1.1267 1.1399 1.1399 4.5843 4.5843 4.6204 4.6204 9.7021 9.7021 9.7266 9.7266 13.0243 13.0243 13.0354 13.0354 k = 0.5000-0.0777 0.5574 ( 7076 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4338 -7.4338 -7.4320 -7.4320 -7.3878 -7.3878 -7.3659 -7.3659 -6.9976 -6.9976 -6.9476 -6.9476 -6.9228 -6.9228 -6.9062 -6.9062 -6.8246 -6.8246 -6.7786 -6.7786 1.1300 1.1300 1.1436 1.1436 4.5615 4.5615 4.5983 4.5983 9.8255 9.8255 9.8508 9.8508 12.8514 12.8514 12.8618 12.8618 k = 0.5000-0.0666 0.5653 ( 7080 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4341 -7.4341 -7.4323 -7.4323 -7.3877 -7.3877 -7.3653 -7.3653 -6.9980 -6.9980 -6.9462 -6.9462 -6.9234 -6.9234 -6.9071 -6.9071 -6.8250 -6.8250 -6.7780 -6.7780 1.1329 1.1329 1.1470 1.1470 4.5412 4.5412 4.5787 4.5787 9.9465 9.9465 9.9728 9.9728 12.6873 12.6873 12.6969 12.6969 k = 0.5000-0.0555 0.5731 ( 7080 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4343 -7.4343 -7.4325 -7.4325 -7.3876 -7.3876 -7.3648 -7.3648 -6.9984 -6.9984 -6.9449 -6.9449 -6.9238 -6.9238 -6.9080 -6.9080 -6.8252 -6.8252 -6.7775 -6.7775 1.1355 1.1355 1.1500 1.1500 4.5238 4.5238 4.5619 4.5619 10.0628 10.0628 10.0902 10.0902 12.5346 12.5346 12.5433 12.5433 k = 0.5000-0.0444 0.5810 ( 7088 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4345 -7.4345 -7.4328 -7.4328 -7.3875 -7.3875 -7.3644 -7.3644 -6.9987 -6.9987 -6.9437 -6.9437 -6.9242 -6.9242 -6.9089 -6.9089 -6.8254 -6.8254 -6.7770 -6.7770 1.1377 1.1377 1.1525 1.1525 4.5093 4.5093 4.5478 4.5478 10.1707 10.1707 10.1992 10.1992 12.3970 12.3970 12.4046 12.4046 k = 0.5000-0.0333 0.5888 ( 7090 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4346 -7.4346 -7.4329 -7.4329 -7.3875 -7.3875 -7.3640 -7.3640 -6.9989 -6.9989 -6.9427 -6.9427 -6.9245 -6.9245 -6.9096 -6.9096 -6.8256 -6.8256 -6.7767 -6.7767 1.1395 1.1395 1.1545 1.1545 4.4979 4.4979 4.5368 4.5368 10.2655 10.2655 10.2952 10.2952 12.2791 12.2791 12.2856 12.2856 k = 0.5000-0.0222 0.5967 ( 7082 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4347 -7.4347 -7.4331 -7.4331 -7.3874 -7.3874 -7.3638 -7.3638 -6.9991 -6.9991 -6.9420 -6.9420 -6.9248 -6.9248 -6.9101 -6.9101 -6.8257 -6.8257 -6.7764 -6.7764 1.1408 1.1408 1.1559 1.1559 4.4897 4.4897 4.5289 4.5289 10.3410 10.3410 10.3717 10.3717 12.1871 12.1871 12.1926 12.1926 k = 0.5000-0.0111 0.6045 ( 7086 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4348 -7.4348 -7.4331 -7.4331 -7.3874 -7.3874 -7.3637 -7.3637 -6.9992 -6.9992 -6.9416 -6.9416 -6.9249 -6.9249 -6.9105 -6.9105 -6.8258 -6.8258 -6.7763 -6.7763 1.1416 1.1416 1.1568 1.1568 4.4848 4.4848 4.5241 4.5241 10.3902 10.3902 10.4218 10.4218 12.1279 12.1279 12.1326 12.1326 k = 0.5000-0.0000 0.6124 ( 7104 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4348 -7.4348 -7.4332 -7.4332 -7.3874 -7.3874 -7.3636 -7.3636 -6.9992 -6.9992 -6.9414 -6.9414 -6.9249 -6.9249 -6.9106 -6.9106 -6.8258 -6.8258 -6.7763 -6.7763 1.1418 1.1418 1.1571 1.1571 4.4831 4.4831 4.5225 4.5225 10.4074 10.4074 10.4394 10.4394 12.1074 12.1074 12.1118 12.1118 k = 0.5000-0.0000 0.6124 ( 7104 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4348 -7.4348 -7.4332 -7.4332 -7.3874 -7.3874 -7.3636 -7.3636 -6.9992 -6.9992 -6.9414 -6.9414 -6.9249 -6.9249 -6.9106 -6.9106 -6.8258 -6.8258 -6.7763 -6.7763 1.1418 1.1418 1.1571 1.1571 4.4831 4.4831 4.5225 4.5225 10.4074 10.4074 10.4394 10.4394 12.1074 12.1074 12.1118 12.1118 k = 0.4931 0.0120 0.6124 ( 7090 PWs) bands (ev): -38.9946 -38.9946 -38.9938 -38.9938 -7.4348 -7.4348 -7.4331 -7.4331 -7.3874 -7.3874 -7.3636 -7.3636 -6.9992 -6.9992 -6.9415 -6.9415 -6.9249 -6.9249 -6.9105 -6.9105 -6.8258 -6.8258 -6.7763 -6.7763 1.0960 1.0960 1.2025 1.2025 4.4633 4.4633 4.5465 4.5465 10.3531 10.3531 10.4743 10.4743 12.0836 12.0836 12.1603 12.1603 k = 0.4861 0.0241 0.6124 ( 7084 PWs) bands (ev): -38.9949 -38.9949 -38.9934 -38.9934 -7.4350 -7.4350 -7.4328 -7.4328 -7.3875 -7.3875 -7.3637 -7.3637 -6.9992 -6.9992 -6.9418 -6.9418 -6.9250 -6.9250 -6.9101 -6.9101 -6.8258 -6.8258 -6.7764 -6.7764 1.0464 1.0464 1.2507 1.2507 4.4330 4.4330 4.5895 4.5895 10.2554 10.2554 10.5167 10.5167 12.0952 12.0952 12.2198 12.2198 k = 0.4792 0.0361 0.6124 ( 7094 PWs) bands (ev): -38.9953 -38.9953 -38.9931 -38.9931 -7.4352 -7.4352 -7.4325 -7.4325 -7.3876 -7.3876 -7.3638 -7.3638 -6.9991 -6.9991 -6.9423 -6.9423 -6.9250 -6.9250 -6.9094 -6.9094 -6.8257 -6.8257 -6.7766 -6.7766 0.9996 0.9996 1.2951 1.2951 4.4028 4.4028 4.6405 4.6405 10.1326 10.1326 10.5547 10.5547 12.1384 12.1384 12.2881 12.2881 k = 0.4722 0.0481 0.6124 ( 7083 PWs) bands (ev): -38.9956 -38.9956 -38.9928 -38.9928 -7.4354 -7.4354 -7.4320 -7.4320 -7.3878 -7.3878 -7.3639 -7.3639 -6.9991 -6.9991 -6.9429 -6.9429 -6.9251 -6.9251 -6.9086 -6.9086 -6.8257 -6.8257 -6.7769 -6.7769 0.9558 0.9558 1.3356 1.3356 4.3740 4.3740 4.6981 4.6981 9.9925 9.9925 10.5877 10.5877 12.2064 12.2064 12.3648 12.3648 k = 0.4653 0.0601 0.6124 ( 7081 PWs) bands (ev): -38.9959 -38.9959 -38.9925 -38.9925 -7.4356 -7.4356 -7.4315 -7.4315 -7.3880 -7.3880 -7.3640 -7.3640 -6.9990 -6.9990 -6.9435 -6.9435 -6.9252 -6.9252 -6.9077 -6.9077 -6.8256 -6.8256 -6.7772 -6.7772 0.9151 0.9151 1.3721 1.3721 4.3469 4.3469 4.7613 4.7613 9.8416 9.8416 10.6161 10.6161 12.2931 12.2931 12.4493 12.4493 k = 0.4583 0.0722 0.6124 ( 7082 PWs) bands (ev): -38.9962 -38.9962 -38.9922 -38.9922 -7.4358 -7.4358 -7.4310 -7.4310 -7.3883 -7.3883 -7.3642 -7.3642 -6.9989 -6.9989 -6.9442 -6.9442 -6.9254 -6.9254 -6.9067 -6.9067 -6.8255 -6.8255 -6.7775 -6.7775 0.8773 0.8773 1.4048 1.4048 4.3215 4.3215 4.8295 4.8295 9.6850 9.6850 10.6401 10.6401 12.3940 12.3940 12.5410 12.5410 k = 0.4514 0.0842 0.6124 ( 7075 PWs) bands (ev): -38.9965 -38.9965 -38.9919 -38.9919 -7.4359 -7.4359 -7.4305 -7.4305 -7.3886 -7.3886 -7.3644 -7.3644 -6.9988 -6.9988 -6.9449 -6.9449 -6.9255 -6.9255 -6.9056 -6.9056 -6.8254 -6.8254 -6.7779 -6.7779 0.8426 0.8426 1.4339 1.4339 4.2980 4.2980 4.9018 4.9018 9.5267 9.5267 10.6602 10.6602 12.5060 12.5060 12.6389 12.6389 k = 0.4444 0.0962 0.6124 ( 7072 PWs) bands (ev): -38.9967 -38.9967 -38.9917 -38.9917 -7.4361 -7.4361 -7.4299 -7.4299 -7.3890 -7.3890 -7.3646 -7.3646 -6.9987 -6.9987 -6.9456 -6.9456 -6.9257 -6.9257 -6.9045 -6.9045 -6.8253 -6.8253 -6.7783 -6.7783 0.8109 0.8109 1.4595 1.4595 4.2764 4.2764 4.9771 4.9771 9.3697 9.3697 10.6768 10.6768 12.6266 12.6266 12.7420 12.7420 k = 0.4375 0.1083 0.6124 ( 7064 PWs) bands (ev): -38.9969 -38.9969 -38.9914 -38.9914 -7.4363 -7.4363 -7.4293 -7.4293 -7.3894 -7.3894 -7.3647 -7.3647 -6.9987 -6.9987 -6.9462 -6.9462 -6.9259 -6.9259 -6.9035 -6.9035 -6.8252 -6.8252 -6.7788 -6.7788 0.7822 0.7822 1.4818 1.4818 4.2568 4.2568 5.0544 5.0544 9.2167 9.2167 10.6905 10.6905 12.7540 12.7540 12.8494 12.8494 k = 0.4306 0.1203 0.6124 ( 7068 PWs) bands (ev): -38.9971 -38.9971 -38.9912 -38.9912 -7.4364 -7.4364 -7.4287 -7.4287 -7.3898 -7.3898 -7.3649 -7.3649 -6.9986 -6.9986 -6.9468 -6.9468 -6.9260 -6.9260 -6.9025 -6.9025 -6.8250 -6.8250 -6.7792 -6.7792 0.7566 0.7566 1.5010 1.5010 4.2392 4.2392 5.1321 5.1321 9.0700 9.0700 10.7015 10.7015 12.8871 12.8871 12.9598 12.9598 k = 0.4236 0.1323 0.6124 ( 7068 PWs) bands (ev): -38.9973 -38.9973 -38.9911 -38.9911 -7.4365 -7.4365 -7.4282 -7.4282 -7.3902 -7.3902 -7.3651 -7.3651 -6.9985 -6.9985 -6.9474 -6.9474 -6.9262 -6.9262 -6.9016 -6.9016 -6.8249 -6.8249 -6.7796 -6.7796 0.7339 0.7339 1.5174 1.5174 4.2235 4.2235 5.2087 5.2087 8.9319 8.9319 10.7105 10.7105 13.0247 13.0247 13.0719 13.0719 k = 0.4167 0.1443 0.6124 ( 7060 PWs) bands (ev): -38.9975 -38.9975 -38.9909 -38.9909 -7.4366 -7.4366 -7.4276 -7.4276 -7.3905 -7.3905 -7.3652 -7.3652 -6.9984 -6.9984 -6.9479 -6.9479 -6.9263 -6.9263 -6.9007 -6.9007 -6.8248 -6.8248 -6.7800 -6.7800 0.7143 0.7143 1.5311 1.5311 4.2100 4.2100 5.2822 5.2822 8.8045 8.8045 10.7175 10.7175 13.1647 13.1647 13.1849 13.1849 k = 0.4097 0.1564 0.6124 ( 7060 PWs) bands (ev): -38.9976 -38.9976 -38.9908 -38.9908 -7.4367 -7.4367 -7.4271 -7.4271 -7.3909 -7.3909 -7.3653 -7.3653 -6.9983 -6.9983 -6.9483 -6.9483 -6.9265 -6.9265 -6.9000 -6.9000 -6.8247 -6.8247 -6.7803 -6.7803 0.6977 0.6977 1.5424 1.5424 4.1984 4.1984 5.3505 5.3505 8.6905 8.6905 10.7231 10.7231 13.2884 13.2884 13.3146 13.3146 k = 0.4028 0.1684 0.6124 ( 7066 PWs) bands (ev): -38.9977 -38.9977 -38.9907 -38.9907 -7.4367 -7.4367 -7.4267 -7.4267 -7.3912 -7.3912 -7.3654 -7.3654 -6.9983 -6.9983 -6.9486 -6.9486 -6.9266 -6.9266 -6.8994 -6.8994 -6.8246 -6.8246 -6.7807 -6.7807 0.6841 0.6841 1.5514 1.5514 4.1890 4.1890 5.4114 5.4114 8.5921 8.5921 10.7273 10.7273 13.3918 13.3918 13.4605 13.4605 k = 0.3958 0.1804 0.6124 ( 7063 PWs) bands (ev): -38.9978 -38.9978 -38.9906 -38.9906 -7.4368 -7.4368 -7.4264 -7.4264 -7.3915 -7.3915 -7.3655 -7.3655 -6.9982 -6.9982 -6.9489 -6.9489 -6.9267 -6.9267 -6.8989 -6.8989 -6.8245 -6.8245 -6.7809 -6.7809 0.6736 0.6736 1.5583 1.5583 4.1816 4.1816 5.4622 5.4622 8.5120 8.5120 10.7304 10.7304 13.4832 13.4832 13.6080 13.6080 k = 0.3889 0.1925 0.6124 ( 7063 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4368 -7.4368 -7.4261 -7.4261 -7.3917 -7.3917 -7.3656 -7.3656 -6.9982 -6.9982 -6.9491 -6.9491 -6.9267 -6.9267 -6.8986 -6.8986 -6.8244 -6.8244 -6.7811 -6.7811 0.6660 0.6660 1.5631 1.5631 4.1764 4.1764 5.5006 5.5006 8.4526 8.4526 10.7325 10.7325 13.5572 13.5572 13.7533 13.7533 k = 0.3819 0.2045 0.6124 ( 7068 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4368 -7.4368 -7.4260 -7.4260 -7.3918 -7.3918 -7.3656 -7.3656 -6.9982 -6.9982 -6.9492 -6.9492 -6.9268 -6.9268 -6.8984 -6.8984 -6.8244 -6.8244 -6.7812 -6.7812 0.6615 0.6615 1.5659 1.5659 4.1732 4.1732 5.5246 5.5246 8.4161 8.4161 10.7338 10.7338 13.6063 13.6063 13.8850 13.8850 k = 0.3750 0.2165 0.6124 ( 7070 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4369 -7.4369 -7.4259 -7.4259 -7.3919 -7.3919 -7.3656 -7.3656 -6.9982 -6.9982 -6.9493 -6.9493 -6.9268 -6.9268 -6.8983 -6.8983 -6.8244 -6.8244 -6.7812 -6.7812 0.6600 0.6600 1.5669 1.5669 4.1721 4.1721 5.5328 5.5328 8.4037 8.4037 10.7342 10.7342 13.6236 13.6236 13.9531 13.9531 k = 0.3750 0.2165 0.6124 ( 7070 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4369 -7.4369 -7.4259 -7.4259 -7.3919 -7.3919 -7.3656 -7.3656 -6.9982 -6.9982 -6.9493 -6.9493 -6.9268 -6.9268 -6.8983 -6.8983 -6.8244 -6.8244 -6.7812 -6.7812 0.6600 0.6600 1.5669 1.5669 4.1721 4.1721 5.5328 5.5328 8.4037 8.4037 10.7342 10.7342 13.6236 13.6236 13.9531 13.9531 k = 0.3681 0.2125 0.6010 ( 7066 PWs) bands (ev): -38.9983 -38.9983 -38.9901 -38.9901 -7.4373 -7.4373 -7.4258 -7.4258 -7.3922 -7.3922 -7.3650 -7.3650 -6.9988 -6.9988 -6.9484 -6.9484 -6.9272 -6.9272 -6.8983 -6.8983 -6.8247 -6.8247 -6.7809 -6.7809 0.6051 0.6051 1.6229 1.6229 4.1478 4.1478 5.5884 5.5884 8.4165 8.4165 10.9353 10.9353 13.4761 13.4761 13.8083 13.8083 k = 0.3611 0.2085 0.5897 ( 7066 PWs) bands (ev): -38.9987 -38.9987 -38.9897 -38.9897 -7.4377 -7.4377 -7.4257 -7.4257 -7.3925 -7.3925 -7.3645 -7.3645 -6.9994 -6.9994 -6.9480 -6.9480 -6.9273 -6.9273 -6.8984 -6.8984 -6.8250 -6.8250 -6.7808 -6.7808 0.5467 0.5467 1.6820 1.6820 4.1300 4.1300 5.6467 5.6467 8.4299 8.4299 11.1362 11.1362 13.3300 13.3300 13.6655 13.6655 k = 0.3542 0.2045 0.5784 ( 7066 PWs) bands (ev): -38.9992 -38.9992 -38.9892 -38.9892 -7.4380 -7.4380 -7.4255 -7.4255 -7.3928 -7.3928 -7.3640 -7.3640 -6.9999 -6.9999 -6.9481 -6.9481 -6.9269 -6.9269 -6.8984 -6.8984 -6.8252 -6.8252 -6.7807 -6.7807 0.4851 0.4851 1.7442 1.7442 4.1190 4.1190 5.7079 5.7079 8.4441 8.4441 11.3354 11.3354 13.1857 13.1857 13.5249 13.5249 k = 0.3472 0.2005 0.5670 ( 7060 PWs) bands (ev): -38.9996 -38.9996 -38.9888 -38.9888 -7.4383 -7.4383 -7.4253 -7.4253 -7.3931 -7.3931 -7.3637 -7.3637 -7.0004 -7.0004 -6.9486 -6.9486 -6.9262 -6.9262 -6.8984 -6.8984 -6.8254 -6.8254 -6.7808 -6.7808 0.4206 0.4206 1.8095 1.8095 4.1145 4.1145 5.7718 5.7718 8.4590 8.4590 11.5308 11.5308 13.0433 13.0433 13.3866 13.3866 k = 0.3403 0.1965 0.5557 ( 7056 PWs) bands (ev): -39.0001 -39.0001 -38.9883 -38.9883 -7.4385 -7.4385 -7.4251 -7.4251 -7.3935 -7.3935 -7.3634 -7.3634 -7.0008 -7.0008 -6.9494 -6.9494 -6.9251 -6.9251 -6.8982 -6.8982 -6.8255 -6.8255 -6.7811 -6.7811 0.3533 0.3533 1.8778 1.8778 4.1167 4.1167 5.8383 5.8383 8.4746 8.4746 11.7203 11.7203 12.9028 12.9028 13.2507 13.2507 k = 0.3333 0.1925 0.5443 ( 7054 PWs) bands (ev): -39.0005 -39.0005 -38.9879 -38.9879 -7.4387 -7.4387 -7.4249 -7.4249 -7.3938 -7.3938 -7.3633 -7.3633 -7.0012 -7.0012 -6.9504 -6.9504 -6.9239 -6.9239 -6.8980 -6.8980 -6.8256 -6.8256 -6.7815 -6.7815 0.2835 0.2835 1.9492 1.9492 4.1252 4.1252 5.9075 5.9075 8.4909 8.4909 11.9007 11.9007 12.7644 12.7644 13.1175 13.1175 k = 0.3264 0.1884 0.5330 ( 7054 PWs) bands (ev): -39.0010 -39.0010 -38.9874 -38.9874 -7.4388 -7.4388 -7.4246 -7.4246 -7.3942 -7.3942 -7.3632 -7.3632 -7.0016 -7.0016 -6.9517 -6.9517 -6.9226 -6.9226 -6.8976 -6.8976 -6.8256 -6.8256 -6.7820 -6.7820 0.2117 0.2117 2.0237 2.0237 4.1400 4.1400 5.9794 5.9794 8.5079 8.5079 12.0685 12.0685 12.6283 12.6283 12.9870 12.9870 k = 0.3194 0.1844 0.5217 ( 7060 PWs) bands (ev): -39.0015 -39.0015 -38.9869 -38.9869 -7.4389 -7.4389 -7.4243 -7.4243 -7.3945 -7.3945 -7.3632 -7.3632 -7.0019 -7.0019 -6.9530 -6.9530 -6.9213 -6.9213 -6.8970 -6.8970 -6.8256 -6.8256 -6.7826 -6.7826 0.1381 0.1381 2.1013 2.1013 4.1608 4.1608 6.0537 6.0537 8.5256 8.5256 12.2192 12.2192 12.4947 12.4947 12.8594 12.8594 k = 0.3125 0.1804 0.5103 ( 7051 PWs) bands (ev): -39.0020 -39.0020 -38.9864 -38.9864 -7.4390 -7.4390 -7.4240 -7.4240 -7.3949 -7.3949 -7.3634 -7.3634 -7.0022 -7.0022 -6.9544 -6.9544 -6.9201 -6.9201 -6.8961 -6.8961 -6.8255 -6.8255 -6.7834 -6.7834 0.0630 0.0630 2.1819 2.1819 4.1875 4.1875 6.1306 6.1306 8.5439 8.5439 12.3402 12.3402 12.3718 12.3718 12.7350 12.7350 k = 0.3056 0.1764 0.4990 ( 7059 PWs) bands (ev): -39.0025 -39.0025 -38.9859 -38.9859 -7.4391 -7.4391 -7.4237 -7.4237 -7.3953 -7.3953 -7.3635 -7.3635 -7.0025 -7.0025 -6.9559 -6.9559 -6.9191 -6.9191 -6.8951 -6.8951 -6.8254 -6.8254 -6.7843 -6.7843 -0.0134 -0.0134 2.2657 2.2657 4.2198 4.2198 6.2098 6.2098 8.5629 8.5629 12.2321 12.2321 12.4543 12.4543 12.6148 12.6148 k = 0.2986 0.1724 0.4876 ( 7067 PWs) bands (ev): -39.0031 -39.0031 -38.9853 -38.9853 -7.4391 -7.4391 -7.4233 -7.4233 -7.3957 -7.3957 -7.3638 -7.3638 -7.0028 -7.0028 -6.9573 -6.9573 -6.9183 -6.9183 -6.8938 -6.8938 -6.8253 -6.8253 -6.7853 -6.7853 -0.0906 -0.0906 2.3525 2.3525 4.2574 4.2574 6.2914 6.2914 8.5824 8.5824 12.1057 12.1057 12.4843 12.4843 12.5437 12.5437 k = 0.2917 0.1684 0.4763 ( 7071 PWs) bands (ev): -39.0036 -39.0036 -38.9848 -38.9848 -7.4391 -7.4391 -7.4229 -7.4229 -7.3961 -7.3961 -7.3642 -7.3642 -7.0031 -7.0031 -6.9586 -6.9586 -6.9177 -6.9177 -6.8922 -6.8922 -6.8252 -6.8252 -6.7864 -6.7864 -0.1684 -0.1684 2.4425 2.4425 4.3003 4.3003 6.3753 6.3753 8.6024 8.6024 11.9816 11.9816 12.3756 12.3756 12.5875 12.5875 k = 0.2847 0.1644 0.4649 ( 7069 PWs) bands (ev): -39.0042 -39.0042 -38.9843 -38.9843 -7.4391 -7.4391 -7.4225 -7.4225 -7.3965 -7.3965 -7.3646 -7.3646 -7.0035 -7.0035 -6.9599 -6.9599 -6.9172 -6.9172 -6.8904 -6.8904 -6.8251 -6.8251 -6.7876 -6.7876 -0.2465 -0.2465 2.5355 2.5355 4.3482 4.3482 6.4614 6.4614 8.6230 8.6230 11.8600 11.8600 12.2643 12.2643 12.6118 12.6118 k = 0.2778 0.1604 0.4536 ( 7069 PWs) bands (ev): -39.0047 -39.0047 -38.9837 -38.9837 -7.4390 -7.4390 -7.4221 -7.4221 -7.3969 -7.3969 -7.3650 -7.3650 -7.0039 -7.0039 -6.9610 -6.9610 -6.9169 -6.9169 -6.8885 -6.8885 -6.8249 -6.8249 -6.7889 -6.7889 -0.3248 -0.3248 2.6316 2.6316 4.4009 4.4009 6.5495 6.5495 8.6440 8.6440 11.7409 11.7409 12.1558 12.1558 12.6146 12.6146 k = 0.2708 0.1564 0.4423 ( 7065 PWs) bands (ev): -39.0052 -39.0052 -38.9832 -38.9832 -7.4390 -7.4390 -7.4217 -7.4217 -7.3973 -7.3973 -7.3655 -7.3655 -7.0043 -7.0043 -6.9621 -6.9621 -6.9168 -6.9168 -6.8863 -6.8863 -6.8248 -6.8248 -6.7904 -6.7904 -0.4029 -0.4029 2.7308 2.7308 4.4582 4.4582 6.6396 6.6396 8.6655 8.6655 11.6244 11.6244 12.0508 12.0508 12.5992 12.5992 k = 0.2639 0.1524 0.4309 ( 7069 PWs) bands (ev): -39.0058 -39.0058 -38.9827 -38.9827 -7.4389 -7.4389 -7.4213 -7.4213 -7.3977 -7.3977 -7.3661 -7.3661 -7.0048 -7.0048 -6.9629 -6.9629 -6.9168 -6.9168 -6.8841 -6.8841 -6.8247 -6.8247 -6.7919 -6.7919 -0.4806 -0.4806 2.8331 2.8331 4.5199 4.5199 6.7315 6.7315 8.6872 8.6872 11.5106 11.5106 11.9493 11.9493 12.5691 12.5691 k = 0.2569 0.1483 0.4196 ( 7073 PWs) bands (ev): -39.0064 -39.0064 -38.9821 -38.9821 -7.4389 -7.4389 -7.4209 -7.4209 -7.3980 -7.3980 -7.3667 -7.3667 -7.0055 -7.0055 -6.9637 -6.9637 -6.9168 -6.9168 -6.8818 -6.8818 -6.8245 -6.8245 -6.7935 -6.7935 -0.5578 -0.5578 2.9385 2.9385 4.5860 4.5860 6.8252 6.8252 8.7092 8.7092 11.3995 11.3995 11.8517 11.8517 12.5273 12.5273 k = 0.2500 0.1443 0.4082 ( 7101 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4388 -7.4388 -7.4206 -7.4206 -7.3984 -7.3984 -7.3673 -7.3673 -7.0062 -7.0062 -6.9642 -6.9642 -6.9169 -6.9169 -6.8795 -6.8795 -6.8244 -6.8244 -6.7951 -6.7951 -0.6343 -0.6343 3.0469 3.0469 4.6561 4.6561 6.9204 6.9204 8.7315 8.7315 11.2911 11.2911 11.7580 11.7580 12.4767 12.4767 k = 0.2431 0.1403 0.3969 ( 7097 PWs) bands (ev): -39.0075 -39.0075 -38.9810 -38.9810 -7.4387 -7.4387 -7.4203 -7.4203 -7.3986 -7.3986 -7.3680 -7.3680 -7.0071 -7.0071 -6.9645 -6.9645 -6.9171 -6.9171 -6.8771 -6.8771 -6.8242 -6.8242 -6.7969 -6.7969 -0.7098 -0.7098 3.1585 3.1585 4.7302 4.7302 7.0169 7.0169 8.7538 8.7538 11.1854 11.1854 11.6684 11.6684 12.4202 12.4202 k = 0.2361 0.1363 0.3856 ( 7101 PWs) bands (ev): -39.0081 -39.0081 -38.9805 -38.9805 -7.4386 -7.4386 -7.4200 -7.4200 -7.3988 -7.3988 -7.3686 -7.3686 -7.0081 -7.0081 -6.9646 -6.9646 -6.9173 -6.9173 -6.8747 -6.8747 -6.8241 -6.8241 -6.7987 -6.7987 -0.7843 -0.7843 3.2731 3.2731 4.8082 4.8082 7.1147 7.1147 8.7761 8.7761 11.0826 11.0826 11.5832 11.5832 12.3602 12.3602 k = 0.2292 0.1323 0.3742 ( 7105 PWs) bands (ev): -39.0086 -39.0086 -38.9799 -38.9799 -7.4385 -7.4385 -7.4198 -7.4198 -7.3989 -7.3989 -7.3693 -7.3693 -7.0092 -7.0092 -6.9645 -6.9645 -6.9176 -6.9176 -6.8724 -6.8724 -6.8240 -6.8240 -6.8005 -6.8005 -0.8576 -0.8576 3.3908 3.3908 4.8900 4.8900 7.2133 7.2133 8.7984 8.7984 10.9825 10.9825 11.5025 11.5025 12.2982 12.2982 k = 0.2222 0.1283 0.3629 ( 7109 PWs) bands (ev): -39.0092 -39.0092 -38.9794 -38.9794 -7.4384 -7.4384 -7.4198 -7.4198 -7.3990 -7.3990 -7.3700 -7.3700 -7.0105 -7.0105 -6.9642 -6.9642 -6.9178 -6.9178 -6.8701 -6.8701 -6.8239 -6.8239 -6.8023 -6.8023 -0.9296 -0.9296 3.5116 3.5116 4.9753 4.9753 7.3127 7.3127 8.8205 8.8205 10.8852 10.8852 11.4265 11.4265 12.2347 12.2347 k = 0.2153 0.1243 0.3515 ( 7101 PWs) bands (ev): -39.0097 -39.0097 -38.9789 -38.9789 -7.4383 -7.4383 -7.4198 -7.4198 -7.3989 -7.3989 -7.3707 -7.3707 -7.0118 -7.0118 -6.9637 -6.9637 -6.9181 -6.9181 -6.8678 -6.8678 -6.8238 -6.8238 -6.8042 -6.8042 -1.0001 -1.0001 3.6354 3.6354 5.0642 5.0642 7.4124 7.4124 8.8424 8.8424 10.7908 10.7908 11.3557 11.3557 12.1694 12.1694 k = 0.2083 0.1203 0.3402 ( 7093 PWs) bands (ev): -39.0103 -39.0103 -38.9783 -38.9783 -7.4382 -7.4382 -7.4199 -7.4199 -7.3988 -7.3988 -7.3714 -7.3714 -7.0133 -7.0133 -6.9630 -6.9630 -6.9183 -6.9183 -6.8656 -6.8656 -6.8237 -6.8237 -6.8061 -6.8061 -1.0691 -1.0691 3.7623 3.7623 5.1564 5.1564 7.5121 7.5121 8.8638 8.8638 10.6992 10.6992 11.2902 11.2902 12.1022 12.1022 k = 0.2014 0.1163 0.3289 ( 7105 PWs) bands (ev): -39.0108 -39.0108 -38.9778 -38.9778 -7.4380 -7.4380 -7.4201 -7.4201 -7.3985 -7.3985 -7.3722 -7.3722 -7.0149 -7.0149 -6.9622 -6.9622 -6.9186 -6.9186 -6.8635 -6.8635 -6.8237 -6.8237 -6.8080 -6.8080 -1.1364 -1.1364 3.8922 3.8922 5.2520 5.2520 7.6115 7.6115 8.8848 8.8848 10.6105 10.6105 11.2304 11.2304 12.0332 12.0332 k = 0.1944 0.1123 0.3175 ( 7103 PWs) bands (ev): -39.0113 -39.0113 -38.9773 -38.9773 -7.4379 -7.4379 -7.4204 -7.4204 -7.3982 -7.3982 -7.3729 -7.3729 -7.0166 -7.0166 -6.9611 -6.9611 -6.9188 -6.9188 -6.8615 -6.8615 -6.8237 -6.8237 -6.8098 -6.8098 -1.2020 -1.2020 4.0252 4.0252 5.3508 5.3508 7.7100 7.7100 8.9052 8.9052 10.5247 10.5247 11.1768 11.1768 11.9624 11.9624 k = 0.1875 0.1083 0.3062 ( 7103 PWs) bands (ev): -39.0119 -39.0119 -38.9768 -38.9768 -7.4378 -7.4378 -7.4208 -7.4208 -7.3978 -7.3978 -7.3736 -7.3736 -7.0184 -7.0184 -6.9599 -6.9599 -6.9190 -6.9190 -6.8596 -6.8596 -6.8238 -6.8238 -6.8116 -6.8116 -1.2657 -1.2657 4.1612 4.1612 5.4527 5.4527 7.8073 7.8073 8.9248 8.9248 10.4418 10.4418 11.1298 11.1298 11.8901 11.8901 k = 0.1806 0.1042 0.2948 ( 7107 PWs) bands (ev): -39.0124 -39.0124 -38.9763 -38.9763 -7.4376 -7.4376 -7.4212 -7.4212 -7.3973 -7.3973 -7.3743 -7.3743 -7.0202 -7.0202 -6.9586 -6.9586 -6.9192 -6.9192 -6.8578 -6.8578 -6.8239 -6.8239 -6.8132 -6.8132 -1.3276 -1.3276 4.3002 4.3002 5.5577 5.5577 7.9028 7.9028 8.9437 8.9437 10.3618 10.3618 11.0898 11.0898 11.8166 11.8166 k = 0.1736 0.1002 0.2835 ( 7101 PWs) bands (ev): -39.0129 -39.0129 -38.9758 -38.9758 -7.4374 -7.4374 -7.4218 -7.4218 -7.3968 -7.3968 -7.3750 -7.3750 -7.0221 -7.0221 -6.9571 -6.9571 -6.9194 -6.9194 -6.8561 -6.8561 -6.8242 -6.8242 -6.8148 -6.8148 -1.3876 -1.3876 4.4423 4.4423 5.6656 5.6656 7.9958 7.9958 8.9616 8.9616 10.2847 10.2847 11.0575 11.0575 11.7419 11.7419 k = 0.1667 0.0962 0.2722 ( 7105 PWs) bands (ev): -39.0134 -39.0134 -38.9753 -38.9753 -7.4373 -7.4373 -7.4223 -7.4223 -7.3962 -7.3962 -7.3756 -7.3756 -7.0241 -7.0241 -6.9556 -6.9556 -6.9196 -6.9196 -6.8546 -6.8546 -6.8247 -6.8247 -6.8161 -6.8161 -1.4455 -1.4455 4.5873 4.5873 5.7764 5.7764 8.0857 8.0857 8.9786 8.9786 10.2105 10.2105 11.0334 11.0334 11.6662 11.6662 k = 0.1597 0.0922 0.2608 ( 7109 PWs) bands (ev): -39.0139 -39.0139 -38.9748 -38.9748 -7.4371 -7.4371 -7.4230 -7.4230 -7.3956 -7.3956 -7.3763 -7.3763 -7.0260 -7.0260 -6.9539 -6.9539 -6.9198 -6.9198 -6.8532 -6.8532 -6.8253 -6.8253 -6.8171 -6.8171 -1.5014 -1.5014 4.7353 4.7353 5.8900 5.8900 8.1718 8.1718 8.9945 8.9945 10.1393 10.1393 11.0181 11.0181 11.5893 11.5893 k = 0.1528 0.0882 0.2495 ( 7101 PWs) bands (ev): -39.0143 -39.0143 -38.9744 -38.9744 -7.4369 -7.4369 -7.4236 -7.4236 -7.3950 -7.3950 -7.3770 -7.3770 -7.0280 -7.0280 -6.9522 -6.9522 -6.9200 -6.9200 -6.8519 -6.8519 -6.8263 -6.8263 -6.8178 -6.8178 -1.5551 -1.5551 4.8863 4.8863 6.0063 6.0063 8.2535 8.2535 9.0093 9.0093 10.0711 10.0711 11.0122 11.0122 11.5112 11.5112 k = 0.1458 0.0842 0.2381 ( 7113 PWs) bands (ev): -39.0148 -39.0148 -38.9739 -38.9739 -7.4367 -7.4367 -7.4243 -7.4243 -7.3944 -7.3944 -7.3776 -7.3776 -7.0300 -7.0300 -6.9504 -6.9504 -6.9201 -6.9201 -6.8508 -6.8508 -6.8274 -6.8274 -6.8183 -6.8183 -1.6067 -1.6067 5.0402 5.0402 6.1253 6.1253 8.3301 8.3301 9.0229 9.0229 10.0058 10.0058 11.0164 11.0164 11.4318 11.4318 k = 0.1389 0.0802 0.2268 ( 7101 PWs) bands (ev): -39.0152 -39.0152 -38.9735 -38.9735 -7.4365 -7.4365 -7.4249 -7.4249 -7.3937 -7.3937 -7.3783 -7.3783 -7.0319 -7.0319 -6.9486 -6.9486 -6.9202 -6.9202 -6.8498 -6.8498 -6.8287 -6.8287 -6.8185 -6.8185 -1.6561 -1.6561 5.1971 5.1971 6.2467 6.2467 8.4009 8.4009 9.0353 9.0353 9.9435 9.9435 11.0310 11.0310 11.3510 11.3510 k = 0.1319 0.0762 0.2155 ( 7097 PWs) bands (ev): -39.0157 -39.0157 -38.9731 -38.9731 -7.4362 -7.4362 -7.4256 -7.4256 -7.3931 -7.3931 -7.3789 -7.3789 -7.0339 -7.0339 -6.9467 -6.9467 -6.9203 -6.9203 -6.8489 -6.8489 -6.8301 -6.8301 -6.8186 -6.8186 -1.7033 -1.7033 5.3569 5.3569 6.3706 6.3706 8.4655 8.4655 9.0464 9.0464 9.8842 9.8842 11.0564 11.0564 11.2685 11.2685 k = 0.1250 0.0722 0.2041 ( 7097 PWs) bands (ev): -39.0161 -39.0161 -38.9727 -38.9727 -7.4360 -7.4360 -7.4263 -7.4263 -7.3924 -7.3924 -7.3795 -7.3795 -7.0358 -7.0358 -6.9448 -6.9448 -6.9204 -6.9204 -6.8482 -6.8482 -6.8315 -6.8315 -6.8185 -6.8185 -1.7482 -1.7482 5.5196 5.5196 6.4969 6.4969 8.5235 8.5235 9.0564 9.0564 9.8279 9.8279 11.0929 11.0929 11.1841 11.1841 k = 0.1181 0.0682 0.1928 ( 7097 PWs) bands (ev): -39.0165 -39.0165 -38.9723 -38.9723 -7.4358 -7.4358 -7.4269 -7.4269 -7.3918 -7.3918 -7.3801 -7.3801 -7.0377 -7.0377 -6.9428 -6.9428 -6.9205 -6.9205 -6.8476 -6.8476 -6.8330 -6.8330 -6.8183 -6.8183 -1.7908 -1.7908 5.6852 5.6852 6.6254 6.6254 8.5747 8.5747 9.0652 9.0652 9.7746 9.7746 11.0976 11.0976 11.1404 11.1404 k = 0.1111 0.0642 0.1814 ( 7089 PWs) bands (ev): -39.0168 -39.0168 -38.9719 -38.9719 -7.4355 -7.4355 -7.4276 -7.4276 -7.3912 -7.3912 -7.3807 -7.3807 -7.0395 -7.0395 -6.9409 -6.9409 -6.9206 -6.9206 -6.8471 -6.8471 -6.8344 -6.8344 -6.8181 -6.8181 -1.8311 -1.8311 5.8536 5.8536 6.7560 6.7560 8.6192 8.6192 9.0728 9.0728 9.7243 9.7243 11.0085 11.0085 11.1986 11.1986 k = 0.1042 0.0601 0.1701 ( 7081 PWs) bands (ev): -39.0172 -39.0172 -38.9716 -38.9716 -7.4353 -7.4353 -7.4282 -7.4282 -7.3906 -7.3906 -7.3813 -7.3813 -7.0413 -7.0413 -6.9390 -6.9390 -6.9207 -6.9207 -6.8468 -6.8468 -6.8358 -6.8358 -6.8179 -6.8179 -1.8691 -1.8691 6.0248 6.0248 6.8887 6.8887 8.6572 8.6572 9.0793 9.0793 9.6770 9.6770 10.9168 10.9168 11.2671 11.2671 k = 0.0972 0.0561 0.1588 ( 7087 PWs) bands (ev): -39.0175 -39.0175 -38.9713 -38.9713 -7.4351 -7.4351 -7.4288 -7.4288 -7.3901 -7.3901 -7.3818 -7.3818 -7.0430 -7.0430 -6.9371 -6.9371 -6.9207 -6.9207 -6.8465 -6.8465 -6.8371 -6.8371 -6.8176 -6.8176 -1.9047 -1.9047 6.1989 6.1989 7.0232 7.0232 8.6891 8.6891 9.0848 9.0848 9.6328 9.6328 10.8219 10.8219 11.3451 11.3451 k = 0.0903 0.0521 0.1474 ( 7087 PWs) bands (ev): -39.0178 -39.0178 -38.9710 -38.9710 -7.4348 -7.4348 -7.4293 -7.4293 -7.3895 -7.3895 -7.3823 -7.3823 -7.0447 -7.0447 -6.9352 -6.9352 -6.9208 -6.9208 -6.8464 -6.8464 -6.8384 -6.8384 -6.8173 -6.8173 -1.9379 -1.9379 6.3756 6.3756 7.1594 7.1594 8.7154 8.7154 9.0892 9.0892 9.5916 9.5916 10.7238 10.7238 11.4315 11.4315 k = 0.0833 0.0481 0.1361 ( 7087 PWs) bands (ev): -39.0181 -39.0181 -38.9707 -38.9707 -7.4346 -7.4346 -7.4299 -7.4299 -7.3890 -7.3890 -7.3828 -7.3828 -7.0462 -7.0462 -6.9334 -6.9334 -6.9208 -6.9208 -6.8463 -6.8463 -6.8396 -6.8396 -6.8170 -6.8170 -1.9687 -1.9687 6.5551 6.5551 7.2972 7.2972 8.7366 8.7366 9.0927 9.0927 9.5534 9.5534 10.6222 10.6222 11.5202 11.5202 k = 0.0764 0.0441 0.1247 ( 7087 PWs) bands (ev): -39.0184 -39.0184 -38.9704 -38.9704 -7.4344 -7.4344 -7.4304 -7.4304 -7.3886 -7.3886 -7.3833 -7.3833 -7.0477 -7.0477 -6.9317 -6.9317 -6.9209 -6.9209 -6.8463 -6.8463 -6.8407 -6.8407 -6.8167 -6.8167 -1.9971 -1.9971 6.7371 6.7371 7.4364 7.4364 8.7535 8.7535 9.0954 9.0954 9.5183 9.5183 10.5169 10.5169 11.3548 11.3548 k = 0.0694 0.0401 0.1134 ( 7079 PWs) bands (ev): -39.0186 -39.0186 -38.9702 -38.9702 -7.4342 -7.4342 -7.4308 -7.4308 -7.3881 -7.3881 -7.3837 -7.3837 -7.0491 -7.0491 -6.9300 -6.9300 -6.9209 -6.9209 -6.8463 -6.8463 -6.8418 -6.8418 -6.8164 -6.8164 -2.0230 -2.0230 6.9218 6.9218 7.5766 7.5766 8.7667 8.7667 9.0972 9.0972 9.4862 9.4862 10.4079 10.4079 11.1539 11.1539 k = 0.0625 0.0361 0.1021 ( 7077 PWs) bands (ev): -39.0189 -39.0189 -38.9700 -38.9700 -7.4340 -7.4340 -7.4312 -7.4312 -7.3877 -7.3877 -7.3841 -7.3841 -7.0503 -7.0503 -6.9285 -6.9285 -6.9209 -6.9209 -6.8464 -6.8464 -6.8427 -6.8427 -6.8162 -6.8162 -2.0466 -2.0466 7.1089 7.1089 7.7177 7.7177 8.7769 8.7769 9.0983 9.0983 9.4571 9.4571 10.2952 10.2952 10.9430 10.9430 k = 0.0556 0.0321 0.0907 ( 7069 PWs) bands (ev): -39.0191 -39.0191 -38.9698 -38.9698 -7.4338 -7.4338 -7.4316 -7.4316 -7.3874 -7.3874 -7.3845 -7.3845 -7.0515 -7.0515 -6.9270 -6.9270 -6.9209 -6.9209 -6.8465 -6.8465 -6.8436 -6.8436 -6.8159 -6.8159 -2.0676 -2.0676 7.2983 7.2983 7.8592 7.8592 8.7846 8.7846 9.0985 9.0985 9.4311 9.4311 10.1791 10.1791 10.7274 10.7274 k = 0.0486 0.0281 0.0794 ( 7065 PWs) bands (ev): -39.0193 -39.0193 -38.9696 -38.9696 -7.4336 -7.4336 -7.4319 -7.4319 -7.3871 -7.3871 -7.3849 -7.3849 -7.0525 -7.0525 -6.9257 -6.9257 -6.9210 -6.9210 -6.8466 -6.8466 -6.8444 -6.8444 -6.8157 -6.8157 -2.0863 -2.0863 7.4898 7.4898 8.0007 8.0007 8.7904 8.7904 9.0979 9.0979 9.4080 9.4080 10.0599 10.0599 10.5103 10.5103 k = 0.0417 0.0241 0.0680 ( 7075 PWs) bands (ev): -39.0194 -39.0194 -38.9694 -38.9694 -7.4334 -7.4334 -7.4322 -7.4322 -7.3868 -7.3868 -7.3852 -7.3852 -7.0534 -7.0534 -6.9245 -6.9245 -6.9210 -6.9210 -6.8467 -6.8467 -6.8451 -6.8451 -6.8155 -6.8155 -2.1024 -2.1024 7.6832 7.6832 8.1415 8.1415 8.7948 8.7948 9.0960 9.0960 9.3878 9.3878 9.9384 9.9384 10.2939 10.2939 k = 0.0347 0.0200 0.0567 ( 7095 PWs) bands (ev): -39.0195 -39.0195 -38.9693 -38.9693 -7.4333 -7.4333 -7.4324 -7.4324 -7.3866 -7.3866 -7.3854 -7.3854 -7.0542 -7.0542 -6.9235 -6.9235 -6.9210 -6.9210 -6.8468 -6.8468 -6.8457 -6.8457 -6.8153 -6.8153 -2.1161 -2.1161 7.8780 7.8780 8.2806 8.2806 8.7985 8.7985 9.0925 9.0925 9.3705 9.3705 9.8154 9.8154 10.0803 10.0803 k = 0.0278 0.0160 0.0454 ( 7095 PWs) bands (ev): -39.0196 -39.0196 -38.9692 -38.9692 -7.4332 -7.4332 -7.4326 -7.4326 -7.3864 -7.3864 -7.3857 -7.3857 -7.0548 -7.0548 -6.9226 -6.9226 -6.9210 -6.9210 -6.8470 -6.8470 -6.8462 -6.8462 -6.8152 -6.8152 -2.1273 -2.1273 8.0733 8.0733 8.4162 8.4162 8.8022 8.8022 9.0857 9.0857 9.3557 9.3557 9.6928 9.6928 9.8724 9.8724 k = 0.0208 0.0120 0.0340 ( 7101 PWs) bands (ev): -39.0197 -39.0197 -38.9692 -38.9692 -7.4331 -7.4331 -7.4328 -7.4328 -7.3862 -7.3862 -7.3858 -7.3858 -7.0553 -7.0553 -6.9219 -6.9219 -6.9210 -6.9210 -6.8470 -6.8470 -6.8466 -6.8466 -6.8150 -6.8150 -2.1360 -2.1360 8.2673 8.2673 8.5448 8.5448 8.8073 8.8073 9.0724 9.0724 9.3425 9.3425 9.5737 9.5737 9.6758 9.6758 k = 0.0139 0.0080 0.0227 ( 7119 PWs) bands (ev): -39.0198 -39.0198 -38.9691 -38.9691 -7.4330 -7.4330 -7.4329 -7.4329 -7.3861 -7.3861 -7.3859 -7.3859 -7.0557 -7.0557 -6.9214 -6.9214 -6.9210 -6.9210 -6.8471 -6.8471 -6.8469 -6.8469 -6.8150 -6.8150 -2.1422 -2.1422 8.4555 8.4555 8.6593 8.6593 8.8174 8.8174 9.0434 9.0434 9.3272 9.3272 9.4640 9.4640 9.5063 9.5063 k = 0.0069 0.0040 0.0113 ( 7119 PWs) bands (ev): -39.0198 -39.0198 -38.9691 -38.9691 -7.4330 -7.4330 -7.4330 -7.4330 -7.3861 -7.3861 -7.3860 -7.3860 -7.0559 -7.0559 -6.9211 -6.9211 -6.9210 -6.9210 -6.8472 -6.8472 -6.8471 -6.8471 -6.8149 -6.8149 -2.1459 -2.1459 8.6184 8.6184 8.7522 8.7522 8.8396 8.8396 8.9781 8.9781 9.2939 9.2939 9.3847 9.3847 9.3998 9.3998 k = 0.0000 0.0000 0.0000 ( 7119 PWs) bands (ev): -39.0198 -39.0198 -38.9691 -38.9691 -7.4330 -7.4330 -7.4330 -7.4330 -7.3860 -7.3860 -7.3860 -7.3860 -7.0559 -7.0559 -6.9210 -6.9210 -6.9210 -6.9210 -6.8472 -6.8472 -6.8472 -6.8472 -6.8149 -6.8149 -2.1472 -2.1472 8.6842 8.6842 8.8574 8.8574 8.8574 8.8574 8.8700 8.8700 9.2643 9.2643 9.3655 9.3655 9.3655 9.3655 k = 0.0000 0.0000 0.0000 ( 7119 PWs) bands (ev): -39.0198 -39.0198 -38.9691 -38.9691 -7.4330 -7.4330 -7.4330 -7.4330 -7.3860 -7.3860 -7.3860 -7.3860 -7.0559 -7.0559 -6.9210 -6.9210 -6.9210 -6.9210 -6.8472 -6.8472 -6.8472 -6.8472 -6.8149 -6.8149 -2.1472 -2.1472 8.6842 8.6842 8.8574 8.8574 8.8574 8.8574 8.8700 8.8700 9.2643 9.2643 9.3655 9.3655 9.3655 9.3655 k = 0.0114 0.0066 0.0046 ( 7119 PWs) bands (ev): -39.0198 -39.0198 -38.9691 -38.9691 -7.4330 -7.4330 -7.4330 -7.4330 -7.3861 -7.3861 -7.3860 -7.3860 -7.0559 -7.0559 -6.9211 -6.9211 -6.9210 -6.9210 -6.8471 -6.8471 -6.8471 -6.8471 -6.8149 -6.8149 -2.1459 -2.1459 8.6145 8.6145 8.7570 8.7570 8.8437 8.8437 8.9716 8.9716 9.2955 9.2955 9.3808 9.3808 9.4035 9.4035 k = 0.0227 0.0131 0.0093 ( 7119 PWs) bands (ev): -39.0198 -39.0198 -38.9691 -38.9691 -7.4330 -7.4330 -7.4329 -7.4329 -7.3861 -7.3861 -7.3860 -7.3860 -7.0557 -7.0557 -6.9214 -6.9214 -6.9210 -6.9210 -6.8471 -6.8471 -6.8470 -6.8470 -6.8150 -6.8150 -2.1422 -2.1422 8.4372 8.4372 8.7020 8.7020 8.8066 8.8066 9.0217 9.0217 9.3510 9.3510 9.4227 9.4227 9.5321 9.5321 k = 0.0341 0.0197 0.0139 ( 7098 PWs) bands (ev): -39.0197 -39.0197 -38.9692 -38.9692 -7.4331 -7.4331 -7.4328 -7.4328 -7.3862 -7.3862 -7.3858 -7.3858 -7.0553 -7.0553 -6.9219 -6.9219 -6.9211 -6.9211 -6.8470 -6.8470 -6.8467 -6.8467 -6.8150 -6.8150 -2.1359 -2.1359 8.2321 8.2321 8.6483 8.6483 8.7544 8.7544 9.0368 9.0368 9.4111 9.4111 9.4826 9.4826 9.7186 9.7186 k = 0.0455 0.0262 0.0186 ( 7080 PWs) bands (ev): -39.0196 -39.0196 -38.9692 -38.9692 -7.4332 -7.4332 -7.4326 -7.4326 -7.3863 -7.3863 -7.3857 -7.3857 -7.0548 -7.0548 -6.9225 -6.9225 -6.9211 -6.9211 -6.8468 -6.8468 -6.8464 -6.8464 -6.8152 -6.8152 -2.1272 -2.1272 8.0198 8.0198 8.5887 8.5887 8.6939 8.6939 9.0366 9.0366 9.4790 9.4790 9.5537 9.5537 9.9263 9.9263 k = 0.0568 0.0328 0.0232 ( 7080 PWs) bands (ev): -39.0195 -39.0195 -38.9693 -38.9693 -7.4334 -7.4334 -7.4324 -7.4324 -7.3865 -7.3865 -7.3855 -7.3855 -7.0542 -7.0542 -6.9233 -6.9233 -6.9212 -6.9212 -6.8466 -6.8466 -6.8460 -6.8460 -6.8153 -6.8153 -2.1160 -2.1160 7.8054 7.8054 8.5254 8.5254 8.6292 8.6292 9.0282 9.0282 9.5533 9.5533 9.6313 9.6313 10.1420 10.1420 k = 0.0682 0.0394 0.0278 ( 7080 PWs) bands (ev): -39.0194 -39.0194 -38.9695 -38.9695 -7.4335 -7.4335 -7.4321 -7.4321 -7.3867 -7.3867 -7.3853 -7.3853 -7.0534 -7.0534 -6.9243 -6.9243 -6.9212 -6.9212 -6.8463 -6.8463 -6.8455 -6.8455 -6.8155 -6.8155 -2.1022 -2.1022 7.5907 7.5907 8.4603 8.4603 8.5629 8.5629 9.0146 9.0146 9.6316 9.6316 9.7126 9.7126 10.3609 10.3609 k = 0.0795 0.0459 0.0325 ( 7077 PWs) bands (ev): -39.0193 -39.0193 -38.9696 -38.9696 -7.4337 -7.4337 -7.4318 -7.4318 -7.3869 -7.3869 -7.3850 -7.3850 -7.0525 -7.0525 -6.9254 -6.9254 -6.9213 -6.9213 -6.8461 -6.8461 -6.8449 -6.8449 -6.8157 -6.8157 -2.0860 -2.0860 7.3766 7.3766 8.3947 8.3947 8.4963 8.4963 8.9972 8.9972 9.7119 9.7119 9.7955 9.7955 10.5804 10.5804 k = 0.0909 0.0525 0.0371 ( 7078 PWs) bands (ev): -39.0191 -39.0191 -38.9698 -38.9698 -7.4339 -7.4339 -7.4315 -7.4315 -7.3872 -7.3872 -7.3847 -7.3847 -7.0515 -7.0515 -6.9266 -6.9266 -6.9214 -6.9214 -6.8457 -6.8457 -6.8443 -6.8443 -6.8159 -6.8159 -2.0674 -2.0674 7.1639 7.1639 8.3295 8.3295 8.4302 8.4302 8.9767 8.9767 9.7925 9.7925 9.8783 9.8783 10.7992 10.7992 k = 0.1023 0.0590 0.0418 ( 7078 PWs) bands (ev): -39.0189 -39.0189 -38.9700 -38.9700 -7.4341 -7.4341 -7.4311 -7.4311 -7.3875 -7.3875 -7.3844 -7.3844 -7.0503 -7.0503 -6.9280 -6.9280 -6.9215 -6.9215 -6.8454 -6.8454 -6.8436 -6.8436 -6.8162 -6.8162 -2.0463 -2.0463 6.9529 6.9529 8.2652 8.2652 8.3654 8.3654 8.9537 8.9537 9.8715 9.8715 9.9594 9.9594 11.0159 11.0159 k = 0.1136 0.0656 0.0464 ( 7090 PWs) bands (ev): -39.0186 -39.0186 -38.9702 -38.9702 -7.4343 -7.4343 -7.4307 -7.4307 -7.3878 -7.3878 -7.3841 -7.3841 -7.0491 -7.0491 -6.9294 -6.9294 -6.9216 -6.9216 -6.8450 -6.8450 -6.8429 -6.8429 -6.8165 -6.8165 -2.0227 -2.0227 6.7437 6.7437 8.2023 8.2023 8.3020 8.3020 8.9287 8.9287 9.9473 9.9473 10.0368 10.0368 11.2297 11.2297 k = 0.1250 0.0722 0.0510 ( 7096 PWs) bands (ev): -39.0184 -39.0184 -38.9704 -38.9704 -7.4345 -7.4345 -7.4302 -7.4302 -7.3882 -7.3882 -7.3837 -7.3837 -7.0477 -7.0477 -6.9310 -6.9310 -6.9217 -6.9217 -6.8445 -6.8445 -6.8422 -6.8422 -6.8168 -6.8168 -1.9967 -1.9967 6.5367 6.5367 8.1409 8.1409 8.2403 8.2403 8.9019 8.9019 10.0179 10.0179 10.1085 10.1085 11.4397 11.4397 k = 0.1364 0.0787 0.0557 ( 7090 PWs) bands (ev): -39.0181 -39.0181 -38.9707 -38.9707 -7.4348 -7.4348 -7.4297 -7.4297 -7.3885 -7.3885 -7.3834 -7.3834 -7.0463 -7.0463 -6.9327 -6.9327 -6.9218 -6.9218 -6.8441 -6.8441 -6.8414 -6.8414 -6.8172 -6.8172 -1.9683 -1.9683 6.3319 6.3319 8.0814 8.0814 8.1806 8.1806 8.8739 8.8739 10.0812 10.0812 10.1724 10.1724 11.6450 11.6450 k = 0.1477 0.0853 0.0603 ( 7108 PWs) bands (ev): -39.0178 -39.0178 -38.9710 -38.9710 -7.4350 -7.4350 -7.4291 -7.4291 -7.3889 -7.3889 -7.3830 -7.3830 -7.0447 -7.0447 -6.9344 -6.9344 -6.9219 -6.9219 -6.8436 -6.8436 -6.8407 -6.8407 -6.8175 -6.8175 -1.9375 -1.9375 6.1296 6.1296 8.0238 8.0238 8.1229 8.1229 8.8448 8.8448 10.1348 10.1348 10.2257 10.2257 11.8433 11.8433 k = 0.1591 0.0919 0.0649 ( 7114 PWs) bands (ev): -39.0175 -39.0175 -38.9713 -38.9713 -7.4352 -7.4352 -7.4286 -7.4286 -7.3893 -7.3893 -7.3826 -7.3826 -7.0431 -7.0431 -6.9361 -6.9361 -6.9220 -6.9220 -6.8431 -6.8431 -6.8399 -6.8399 -6.8179 -6.8179 -1.9043 -1.9043 5.9299 5.9299 7.9682 7.9682 8.0673 8.0673 8.8150 8.8150 10.1765 10.1765 10.2662 10.2662 11.9024 11.9024 k = 0.1705 0.0984 0.0696 ( 7117 PWs) bands (ev): -39.0172 -39.0172 -38.9716 -38.9716 -7.4354 -7.4354 -7.4280 -7.4280 -7.3898 -7.3898 -7.3822 -7.3822 -7.0415 -7.0415 -6.9380 -6.9380 -6.9221 -6.9221 -6.8425 -6.8425 -6.8391 -6.8391 -6.8183 -6.8183 -1.8688 -1.8688 5.7328 5.7328 7.9147 7.9147 8.0139 8.0139 8.7846 8.7846 10.2046 10.2046 10.2919 10.2919 11.9060 11.9060 k = 0.1818 0.1050 0.0742 ( 7105 PWs) bands (ev): -39.0169 -39.0169 -38.9719 -38.9719 -7.4356 -7.4356 -7.4274 -7.4274 -7.3902 -7.3902 -7.3819 -7.3819 -7.0397 -7.0397 -6.9398 -6.9398 -6.9222 -6.9222 -6.8420 -6.8420 -6.8383 -6.8383 -6.8187 -6.8187 -1.8310 -1.8310 5.5385 5.5385 7.8633 7.8633 7.9627 7.9627 8.7539 8.7539 10.2179 10.2179 10.3018 10.3018 11.9279 11.9279 k = 0.1932 0.1115 0.0789 ( 7111 PWs) bands (ev): -39.0165 -39.0165 -38.9723 -38.9723 -7.4358 -7.4358 -7.4267 -7.4267 -7.3907 -7.3907 -7.3815 -7.3815 -7.0380 -7.0380 -6.9416 -6.9416 -6.9223 -6.9223 -6.8414 -6.8414 -6.8376 -6.8376 -6.8192 -6.8192 -1.7910 -1.7910 5.3471 5.3471 7.8142 7.8142 7.9138 7.9138 8.7231 8.7231 10.2166 10.2166 10.2962 10.2962 11.9688 11.9688 k = 0.2045 0.1181 0.0835 ( 7099 PWs) bands (ev): -39.0161 -39.0161 -38.9727 -38.9727 -7.4360 -7.4360 -7.4260 -7.4260 -7.3911 -7.3911 -7.3812 -7.3812 -7.0362 -7.0362 -6.9435 -6.9435 -6.9224 -6.9224 -6.8408 -6.8408 -6.8368 -6.8368 -6.8196 -6.8196 -1.7487 -1.7487 5.1586 5.1586 7.7672 7.7672 7.8671 7.8671 8.6924 8.6924 10.2016 10.2016 10.2764 10.2764 12.0280 12.0280 k = 0.2159 0.1247 0.0881 ( 7096 PWs) bands (ev): -39.0157 -39.0157 -38.9730 -38.9730 -7.4362 -7.4362 -7.4254 -7.4254 -7.3916 -7.3916 -7.3808 -7.3808 -7.0343 -7.0343 -6.9454 -6.9454 -6.9225 -6.9225 -6.8402 -6.8402 -6.8361 -6.8361 -6.8201 -6.8201 -1.7042 -1.7042 4.9731 4.9731 7.7224 7.7224 7.8228 7.8228 8.6619 8.6619 10.1748 10.1748 10.2446 10.2446 12.1039 12.1039 k = 0.2273 0.1312 0.0928 ( 7099 PWs) bands (ev): -39.0153 -39.0153 -38.9734 -38.9734 -7.4363 -7.4363 -7.4247 -7.4247 -7.3921 -7.3921 -7.3805 -7.3805 -7.0325 -7.0325 -6.9472 -6.9472 -6.9226 -6.9226 -6.8396 -6.8396 -6.8354 -6.8354 -6.8206 -6.8206 -1.6576 -1.6576 4.7909 4.7909 7.6799 7.6799 7.7807 7.7807 8.6318 8.6318 10.1383 10.1383 10.2032 10.2032 12.1947 12.1947 k = 0.2386 0.1378 0.0974 ( 7105 PWs) bands (ev): -39.0149 -39.0149 -38.9739 -38.9739 -7.4365 -7.4365 -7.4239 -7.4239 -7.3926 -7.3926 -7.3802 -7.3802 -7.0307 -7.0307 -6.9490 -6.9490 -6.9227 -6.9227 -6.8390 -6.8390 -6.8347 -6.8347 -6.8211 -6.8211 -1.6089 -1.6089 4.6119 4.6119 7.6396 7.6396 7.7408 7.7408 8.6023 8.6023 10.0943 10.0943 10.1545 10.1545 12.2982 12.2982 k = 0.2500 0.1443 0.1021 ( 7099 PWs) bands (ev): -39.0144 -39.0144 -38.9743 -38.9743 -7.4366 -7.4366 -7.4232 -7.4232 -7.3930 -7.3930 -7.3799 -7.3799 -7.0288 -7.0288 -6.9507 -6.9507 -6.9228 -6.9228 -6.8384 -6.8384 -6.8340 -6.8340 -6.8216 -6.8216 -1.5583 -1.5583 4.4362 4.4362 7.6014 7.6014 7.7032 7.7032 8.5734 8.5734 10.0447 10.0447 10.1006 10.1006 12.4128 12.4128 k = 0.2614 0.1509 0.1067 ( 7108 PWs) bands (ev): -39.0140 -39.0140 -38.9747 -38.9747 -7.4367 -7.4367 -7.4225 -7.4225 -7.3935 -7.3935 -7.3797 -7.3797 -7.0271 -7.0271 -6.9524 -6.9524 -6.9229 -6.9229 -6.8378 -6.8378 -6.8334 -6.8334 -6.8221 -6.8221 -1.5057 -1.5057 4.2641 4.2641 7.5654 7.5654 7.6678 7.6678 8.5453 8.5453 9.9913 9.9913 10.0433 10.0433 12.5367 12.5367 k = 0.2727 0.1575 0.1113 ( 7108 PWs) bands (ev): -39.0135 -39.0135 -38.9752 -38.9752 -7.4368 -7.4368 -7.4218 -7.4218 -7.3940 -7.3940 -7.3794 -7.3794 -7.0253 -7.0253 -6.9541 -6.9541 -6.9229 -6.9229 -6.8372 -6.8372 -6.8328 -6.8328 -6.8226 -6.8226 -1.4514 -1.4514 4.0956 4.0956 7.5316 7.5316 7.6346 7.6346 8.5180 8.5180 9.9355 9.9355 9.9839 9.9839 12.6687 12.6687 k = 0.2841 0.1640 0.1160 ( 7102 PWs) bands (ev): -39.0131 -39.0131 -38.9756 -38.9756 -7.4368 -7.4368 -7.4210 -7.4210 -7.3945 -7.3945 -7.3792 -7.3792 -7.0236 -7.0236 -6.9556 -6.9556 -6.9230 -6.9230 -6.8367 -6.8367 -6.8322 -6.8322 -6.8231 -6.8231 -1.3954 -1.3954 3.9308 3.9308 7.4999 7.4999 7.6036 7.6036 8.4917 8.4917 9.8785 9.8785 9.9235 9.9235 12.8078 12.8078 k = 0.2955 0.1706 0.1206 ( 7102 PWs) bands (ev): -39.0126 -39.0126 -38.9760 -38.9760 -7.4369 -7.4369 -7.4203 -7.4203 -7.3949 -7.3949 -7.3790 -7.3790 -7.0220 -7.0220 -6.9571 -6.9571 -6.9231 -6.9231 -6.8361 -6.8361 -6.8317 -6.8317 -6.8236 -6.8236 -1.3379 -1.3379 3.7700 3.7700 7.4703 7.4703 7.5746 7.5746 8.4664 8.4664 9.8212 9.8212 9.8631 9.8631 12.9529 12.9529 k = 0.3068 0.1771 0.1253 ( 7108 PWs) bands (ev): -39.0122 -39.0122 -38.9765 -38.9765 -7.4369 -7.4369 -7.4196 -7.4196 -7.3954 -7.3954 -7.3789 -7.3789 -7.0205 -7.0205 -6.9585 -6.9585 -6.9231 -6.9231 -6.8355 -6.8355 -6.8312 -6.8312 -6.8241 -6.8241 -1.2790 -1.2790 3.6133 3.6133 7.4427 7.4427 7.5478 7.5478 8.4421 8.4421 9.7643 9.7643 9.8034 9.8034 13.0860 13.0860 k = 0.3182 0.1837 0.1299 ( 7096 PWs) bands (ev): -39.0117 -39.0117 -38.9769 -38.9769 -7.4369 -7.4369 -7.4189 -7.4189 -7.3958 -7.3958 -7.3787 -7.3787 -7.0191 -7.0191 -6.9597 -6.9597 -6.9232 -6.9232 -6.8350 -6.8350 -6.8307 -6.8307 -6.8245 -6.8245 -1.2189 -1.2189 3.4609 3.4609 7.4171 7.4171 7.5229 7.5229 8.4190 8.4190 9.7084 9.7084 9.7450 9.7450 13.1061 13.1061 k = 0.3295 0.1903 0.1345 ( 7102 PWs) bands (ev): -39.0112 -39.0112 -38.9774 -38.9774 -7.4369 -7.4369 -7.4182 -7.4182 -7.3963 -7.3963 -7.3786 -7.3786 -7.0177 -7.0177 -6.9609 -6.9609 -6.9232 -6.9232 -6.8345 -6.8345 -6.8303 -6.8303 -6.8250 -6.8250 -1.1579 -1.1579 3.3131 3.3131 7.3935 7.3935 7.5000 7.5000 8.3971 8.3971 9.6542 9.6542 9.6884 9.6884 13.1231 13.1231 k = 0.3409 0.1968 0.1392 ( 7102 PWs) bands (ev): -39.0108 -39.0108 -38.9778 -38.9778 -7.4369 -7.4369 -7.4175 -7.4175 -7.3967 -7.3967 -7.3785 -7.3785 -7.0165 -7.0165 -6.9619 -6.9619 -6.9233 -6.9233 -6.8340 -6.8340 -6.8299 -6.8299 -6.8255 -6.8255 -1.0962 -1.0962 3.1701 3.1701 7.3717 7.3717 7.4791 7.4791 8.3765 8.3765 9.6019 9.6019 9.6339 9.6339 13.1392 13.1392 k = 0.3523 0.2034 0.1438 ( 7114 PWs) bands (ev): -39.0104 -39.0104 -38.9783 -38.9783 -7.4369 -7.4369 -7.4168 -7.4168 -7.3971 -7.3971 -7.3784 -7.3784 -7.0154 -7.0154 -6.9628 -6.9628 -6.9233 -6.9233 -6.8335 -6.8335 -6.8295 -6.8295 -6.8259 -6.8259 -1.0341 -1.0341 3.0323 3.0323 7.3518 7.3518 7.4600 7.4600 8.3571 8.3571 9.5521 9.5521 9.5820 9.5820 13.1543 13.1543 k = 0.3636 0.2099 0.1485 ( 7105 PWs) bands (ev): -39.0099 -39.0099 -38.9787 -38.9787 -7.4368 -7.4368 -7.4162 -7.4162 -7.3975 -7.3975 -7.3783 -7.3783 -7.0144 -7.0144 -6.9636 -6.9636 -6.9234 -6.9234 -6.8331 -6.8331 -6.8292 -6.8292 -6.8263 -6.8263 -0.9720 -0.9720 2.9001 2.9001 7.3337 7.3337 7.4426 7.4426 8.3390 8.3390 9.5049 9.5049 9.5329 9.5329 13.1684 13.1684 k = 0.3750 0.2165 0.1531 ( 7105 PWs) bands (ev): -39.0095 -39.0095 -38.9791 -38.9791 -7.4368 -7.4368 -7.4156 -7.4156 -7.3979 -7.3979 -7.3782 -7.3782 -7.0136 -7.0136 -6.9642 -6.9642 -6.9234 -6.9234 -6.8326 -6.8326 -6.8289 -6.8289 -6.8267 -6.8267 -0.9104 -0.9104 2.7738 2.7738 7.3174 7.3174 7.4270 7.4270 8.3223 8.3223 9.4606 9.4606 9.4869 9.4869 13.1816 13.1816 k = 0.3864 0.2231 0.1577 ( 7105 PWs) bands (ev): -39.0091 -39.0091 -38.9795 -38.9795 -7.4367 -7.4367 -7.4150 -7.4150 -7.3982 -7.3982 -7.3782 -7.3782 -7.0128 -7.0128 -6.9648 -6.9648 -6.9234 -6.9234 -6.8323 -6.8323 -6.8287 -6.8287 -6.8270 -6.8270 -0.8497 -0.8497 2.6542 2.6542 7.3027 7.3027 7.4130 7.4130 8.3069 8.3069 9.4195 9.4195 9.4442 9.4442 13.1939 13.1939 k = 0.3977 0.2296 0.1624 ( 7087 PWs) bands (ev): -39.0087 -39.0087 -38.9798 -38.9798 -7.4367 -7.4367 -7.4145 -7.4145 -7.3986 -7.3986 -7.3781 -7.3781 -7.0122 -7.0122 -6.9652 -6.9652 -6.9234 -6.9234 -6.8319 -6.8319 -6.8285 -6.8285 -6.8272 -6.8272 -0.7906 -0.7906 2.5417 2.5417 7.2896 7.2896 7.4007 7.4007 8.2930 8.2930 9.3817 9.3817 9.4050 9.4050 13.2051 13.2051 k = 0.4091 0.2362 0.1670 ( 7081 PWs) bands (ev): -39.0084 -39.0084 -38.9802 -38.9802 -7.4366 -7.4366 -7.4140 -7.4140 -7.3989 -7.3989 -7.3781 -7.3781 -7.0117 -7.0117 -6.9656 -6.9656 -6.9235 -6.9235 -6.8316 -6.8316 -6.8285 -6.8285 -6.8273 -6.8273 -0.7339 -0.7339 2.4371 2.4371 7.2781 7.2781 7.3898 7.3898 8.2805 8.2805 9.3475 9.3475 9.3694 9.3694 13.2152 13.2152 k = 0.4205 0.2427 0.1716 ( 7078 PWs) bands (ev): -39.0080 -39.0080 -38.9805 -38.9805 -7.4366 -7.4366 -7.4136 -7.4136 -7.3992 -7.3992 -7.3781 -7.3781 -7.0113 -7.0113 -6.9658 -6.9658 -6.9235 -6.9235 -6.8313 -6.8313 -6.8286 -6.8286 -6.8273 -6.8273 -0.6802 -0.6802 2.3412 2.3412 7.2681 7.2681 7.3804 7.3804 8.2694 8.2694 9.3170 9.3170 9.3377 9.3377 13.2243 13.2243 k = 0.4318 0.2493 0.1763 ( 7081 PWs) bands (ev): -39.0078 -39.0078 -38.9807 -38.9807 -7.4365 -7.4365 -7.4131 -7.4131 -7.3994 -7.3994 -7.3781 -7.3781 -7.0109 -7.0109 -6.9660 -6.9660 -6.9235 -6.9235 -6.8310 -6.8310 -6.8287 -6.8287 -6.8273 -6.8273 -0.6305 -0.6305 2.2550 2.2550 7.2595 7.2595 7.3724 7.3724 8.2597 8.2597 9.2902 9.2902 9.3099 9.3099 13.2322 13.2322 k = 0.4432 0.2559 0.1809 ( 7084 PWs) bands (ev): -39.0075 -39.0075 -38.9810 -38.9810 -7.4365 -7.4365 -7.4128 -7.4128 -7.3997 -7.3997 -7.3781 -7.3781 -7.0107 -7.0107 -6.9662 -6.9662 -6.9235 -6.9235 -6.8308 -6.8308 -6.8289 -6.8289 -6.8272 -6.8272 -0.5859 -0.5859 2.1794 2.1794 7.2524 7.2524 7.3657 7.3657 8.2515 8.2515 9.2674 9.2674 9.2862 9.2862 13.2390 13.2390 k = 0.4545 0.2624 0.1856 ( 7078 PWs) bands (ev): -39.0073 -39.0073 -38.9812 -38.9812 -7.4364 -7.4364 -7.4125 -7.4125 -7.3999 -7.3999 -7.3781 -7.3781 -7.0105 -7.0105 -6.9662 -6.9662 -6.9235 -6.9235 -6.8306 -6.8306 -6.8291 -6.8291 -6.8271 -6.8271 -0.5474 -0.5474 2.1155 2.1155 7.2466 7.2466 7.3603 7.3603 8.2448 8.2448 9.2486 9.2486 9.2667 9.2667 13.2445 13.2445 k = 0.4659 0.2690 0.1902 ( 7087 PWs) bands (ev): -39.0071 -39.0071 -38.9814 -38.9814 -7.4364 -7.4364 -7.4123 -7.4123 -7.4000 -7.4000 -7.3781 -7.3781 -7.0103 -7.0103 -6.9663 -6.9663 -6.9235 -6.9235 -6.8305 -6.8305 -6.8292 -6.8292 -6.8270 -6.8270 -0.5160 -0.5160 2.0644 2.0644 7.2421 7.2421 7.3562 7.3562 8.2396 8.2396 9.2339 9.2339 9.2514 9.2514 13.2489 13.2489 k = 0.4773 0.2756 0.1948 ( 7099 PWs) bands (ev): -39.0070 -39.0070 -38.9815 -38.9815 -7.4364 -7.4364 -7.4121 -7.4121 -7.4001 -7.4001 -7.3781 -7.3781 -7.0102 -7.0102 -6.9663 -6.9663 -6.9235 -6.9235 -6.8304 -6.8304 -6.8293 -6.8293 -6.8270 -6.8270 -0.4928 -0.4928 2.0271 2.0271 7.2390 7.2390 7.3533 7.3533 8.2359 8.2359 9.2234 9.2234 9.2405 9.2405 13.2520 13.2520 k = 0.4886 0.2821 0.1995 ( 7120 PWs) bands (ev): -39.0070 -39.0070 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4002 -7.4002 -7.3781 -7.3781 -7.0102 -7.0102 -6.9663 -6.9663 -6.9235 -6.9235 -6.8303 -6.8303 -6.8294 -6.8294 -6.8269 -6.8269 -0.4785 -0.4785 2.0043 2.0043 7.2371 7.2371 7.3515 7.3515 8.2336 8.2336 9.2170 9.2170 9.2339 9.2339 13.2539 13.2539 k = 0.5000 0.2887 0.2041 ( 7120 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4002 -7.4002 -7.3781 -7.3781 -7.0102 -7.0102 -6.9663 -6.9663 -6.9235 -6.9235 -6.8303 -6.8303 -6.8294 -6.8294 -6.8269 -6.8269 -0.4736 -0.4736 1.9967 1.9967 7.2365 7.2365 7.3509 7.3509 8.2329 8.2329 9.2149 9.2149 9.2317 9.2317 13.2545 13.2545 k = 0.5000 0.2887 0.2041 ( 7120 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4002 -7.4002 -7.3781 -7.3781 -7.0102 -7.0102 -6.9663 -6.9663 -6.9235 -6.9235 -6.8303 -6.8303 -6.8294 -6.8294 -6.8269 -6.8269 -0.4736 -0.4736 1.9967 1.9967 7.2365 7.2365 7.3509 7.3509 8.2329 8.2329 9.2149 9.2149 9.2317 9.2317 13.2545 13.2545 k = 0.5039 0.2774 0.2105 ( 7120 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4002 -7.4002 -7.3780 -7.3780 -7.0101 -7.0101 -6.9663 -6.9663 -6.9235 -6.9235 -6.8318 -6.8318 -6.8295 -6.8295 -6.8253 -6.8253 -0.4724 -0.4724 1.9971 1.9971 7.2172 7.2172 7.3320 7.3320 8.2587 8.2587 9.2229 9.2229 9.2395 9.2395 13.2581 13.2581 k = 0.5078 0.2661 0.2169 ( 7104 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4003 -7.4003 -7.3777 -7.3777 -7.0101 -7.0101 -6.9662 -6.9662 -6.9236 -6.9236 -6.8344 -6.8344 -6.8295 -6.8295 -6.8228 -6.8228 -0.4685 -0.4685 1.9983 1.9983 7.1533 7.1533 7.2912 7.2912 8.3256 8.3256 9.2451 9.2451 9.2650 9.2650 13.2686 13.2686 k = 0.5117 0.2548 0.2233 ( 7093 PWs) bands (ev): -39.0068 -39.0068 -38.9817 -38.9817 -7.4365 -7.4365 -7.4122 -7.4122 -7.4004 -7.4004 -7.3774 -7.3774 -7.0100 -7.0100 -6.9661 -6.9661 -6.9236 -6.9236 -6.8371 -6.8371 -6.8295 -6.8295 -6.8203 -6.8203 -0.4621 -0.4621 2.0003 2.0003 7.0467 7.0467 7.2463 7.2463 8.4121 8.4121 9.2818 9.2818 9.3098 9.3098 13.2858 13.2858 k = 0.5156 0.2436 0.2296 ( 7091 PWs) bands (ev): -39.0067 -39.0067 -38.9818 -38.9818 -7.4366 -7.4366 -7.4123 -7.4123 -7.4006 -7.4006 -7.3768 -7.3768 -7.0098 -7.0098 -6.9659 -6.9659 -6.9237 -6.9237 -6.8399 -6.8399 -6.8294 -6.8294 -6.8177 -6.8177 -0.4531 -0.4531 2.0030 2.0030 6.9140 6.9140 7.1970 7.1970 8.4997 8.4997 9.3374 9.3374 9.3720 9.3720 13.3095 13.3095 k = 0.5195 0.2323 0.2360 ( 7087 PWs) bands (ev): -39.0066 -39.0066 -38.9819 -38.9819 -7.4367 -7.4367 -7.4126 -7.4126 -7.4007 -7.4007 -7.3762 -7.3762 -7.0096 -7.0096 -6.9657 -6.9657 -6.9238 -6.9238 -6.8428 -6.8428 -6.8294 -6.8294 -6.8152 -6.8152 -0.4416 -0.4416 2.0063 2.0063 6.7676 6.7676 7.1416 7.1416 8.5757 8.5757 9.4164 9.4164 9.4490 9.4490 13.3390 13.3390 k = 0.5234 0.2210 0.2424 ( 7084 PWs) bands (ev): -39.0065 -39.0065 -38.9820 -38.9820 -7.4369 -7.4369 -7.4129 -7.4129 -7.4008 -7.4008 -7.3755 -7.3755 -7.0093 -7.0093 -6.9653 -6.9653 -6.9239 -6.9239 -6.8457 -6.8457 -6.8293 -6.8293 -6.8127 -6.8127 -0.4275 -0.4275 2.0103 2.0103 6.6141 6.6141 7.0804 7.0804 8.6337 8.6337 9.5199 9.5199 9.5392 9.5392 13.3735 13.3735 k = 0.5273 0.2097 0.2488 ( 7079 PWs) bands (ev): -39.0064 -39.0064 -38.9821 -38.9821 -7.4370 -7.4370 -7.4133 -7.4133 -7.4008 -7.4008 -7.3747 -7.3747 -7.0090 -7.0090 -6.9650 -6.9650 -6.9240 -6.9240 -6.8485 -6.8485 -6.8292 -6.8292 -6.8103 -6.8103 -0.4108 -0.4108 2.0147 2.0147 6.4572 6.4572 7.0145 7.0145 8.6732 8.6732 9.6360 9.6360 9.6504 9.6504 13.4115 13.4115 k = 0.5312 0.1985 0.2552 ( 7087 PWs) bands (ev): -39.0062 -39.0062 -38.9823 -38.9823 -7.4372 -7.4372 -7.4137 -7.4137 -7.4008 -7.4008 -7.3739 -7.3739 -7.0087 -7.0087 -6.9646 -6.9646 -6.9241 -6.9241 -6.8514 -6.8514 -6.8291 -6.8291 -6.8080 -6.8080 -0.3916 -0.3916 2.0195 2.0195 6.2992 6.2992 6.9450 6.9450 8.6970 8.6970 9.7474 9.7474 9.7937 9.7937 13.4511 13.4511 k = 0.5352 0.1872 0.2615 ( 7087 PWs) bands (ev): -39.0060 -39.0060 -38.9825 -38.9825 -7.4373 -7.4373 -7.4143 -7.4143 -7.4007 -7.4007 -7.3731 -7.3731 -7.0083 -7.0083 -6.9641 -6.9641 -6.9242 -6.9242 -6.8543 -6.8543 -6.8290 -6.8290 -6.8057 -6.8057 -0.3699 -0.3699 2.0246 2.0246 6.1416 6.1416 6.8731 6.8731 8.7088 8.7088 9.8655 9.8655 9.9514 9.9514 13.4887 13.4887 k = 0.5391 0.1759 0.2679 ( 7091 PWs) bands (ev): -39.0058 -39.0058 -38.9827 -38.9827 -7.4375 -7.4375 -7.4149 -7.4149 -7.4005 -7.4005 -7.3722 -7.3722 -7.0079 -7.0079 -6.9636 -6.9636 -6.9244 -6.9244 -6.8571 -6.8571 -6.8289 -6.8289 -6.8035 -6.8035 -0.3456 -0.3456 2.0296 2.0296 5.9853 5.9853 6.7996 6.7996 8.7119 8.7119 9.9906 9.9906 10.1181 10.1181 13.5189 13.5189 k = 0.5430 0.1646 0.2743 ( 7091 PWs) bands (ev): -39.0055 -39.0055 -38.9829 -38.9829 -7.4377 -7.4377 -7.4155 -7.4155 -7.4002 -7.4002 -7.3713 -7.3713 -7.0074 -7.0074 -6.9630 -6.9630 -6.9246 -6.9246 -6.8600 -6.8600 -6.8287 -6.8287 -6.8014 -6.8014 -0.3188 -0.3188 2.0345 2.0345 5.8314 5.8314 6.7254 6.7254 8.7086 8.7086 10.1220 10.1220 10.2905 10.2905 13.5338 13.5338 k = 0.5469 0.1534 0.2807 ( 7089 PWs) bands (ev): -39.0053 -39.0053 -38.9832 -38.9832 -7.4379 -7.4379 -7.4162 -7.4162 -7.3999 -7.3999 -7.3705 -7.3705 -7.0070 -7.0070 -6.9623 -6.9623 -6.9247 -6.9247 -6.8628 -6.8628 -6.8286 -6.8286 -6.7994 -6.7994 -0.2895 -0.2895 2.0390 2.0390 5.6804 5.6804 6.6510 6.6510 8.7006 8.7006 10.2591 10.2591 10.4660 10.4660 13.5237 13.5237 k = 0.5508 0.1421 0.2870 ( 7081 PWs) bands (ev): -39.0050 -39.0050 -38.9834 -38.9834 -7.4380 -7.4380 -7.4169 -7.4169 -7.3996 -7.3996 -7.3697 -7.3697 -7.0065 -7.0065 -6.9617 -6.9617 -6.9249 -6.9249 -6.8655 -6.8655 -6.8284 -6.8284 -6.7975 -6.7975 -0.2577 -0.2577 2.0428 2.0428 5.5330 5.5330 6.5769 6.5769 8.6894 8.6894 10.4012 10.4012 10.6424 10.6424 13.4826 13.4826 k = 0.5547 0.1308 0.2934 ( 7076 PWs) bands (ev): -39.0047 -39.0047 -38.9837 -38.9837 -7.4382 -7.4382 -7.4177 -7.4177 -7.3992 -7.3992 -7.3689 -7.3689 -7.0060 -7.0060 -6.9609 -6.9609 -6.9251 -6.9251 -6.8683 -6.8683 -6.8283 -6.8283 -6.7957 -6.7957 -0.2235 -0.2235 2.0456 2.0456 5.3899 5.3899 6.5037 6.5037 8.6756 8.6756 10.5481 10.5481 10.8179 10.8179 13.4128 13.4128 k = 0.5586 0.1195 0.2998 ( 7074 PWs) bands (ev): -39.0044 -39.0044 -38.9840 -38.9840 -7.4383 -7.4383 -7.4184 -7.4184 -7.3987 -7.3987 -7.3682 -7.3682 -7.0055 -7.0055 -6.9601 -6.9601 -6.9253 -6.9253 -6.8709 -6.8709 -6.8281 -6.8281 -6.7939 -6.7939 -0.1868 -0.1868 2.0469 2.0469 5.2517 5.2517 6.4315 6.4315 8.6600 8.6600 10.6992 10.6992 10.9901 10.9901 13.3234 13.3234 k = 0.5625 0.1083 0.3062 ( 7073 PWs) bands (ev): -39.0041 -39.0041 -38.9844 -38.9844 -7.4384 -7.4384 -7.4191 -7.4191 -7.3983 -7.3983 -7.3675 -7.3675 -7.0050 -7.0050 -6.9593 -6.9593 -6.9255 -6.9255 -6.8736 -6.8736 -6.8279 -6.8279 -6.7923 -6.7923 -0.1477 -0.1477 2.0465 2.0465 5.1189 5.1189 6.3607 6.3607 8.6432 8.6432 10.8545 10.8545 11.1565 11.1565 13.2251 13.2251 k = 0.5664 0.0970 0.3126 ( 7072 PWs) bands (ev): -39.0037 -39.0037 -38.9847 -38.9847 -7.4385 -7.4385 -7.4198 -7.4198 -7.3978 -7.3978 -7.3668 -7.3668 -7.0045 -7.0045 -6.9584 -6.9584 -6.9257 -6.9257 -6.8761 -6.8761 -6.8277 -6.8277 -6.7908 -6.7908 -0.1062 -0.1062 2.0438 2.0438 4.9922 4.9922 6.2916 6.2916 8.6255 8.6255 11.0135 11.0135 11.3135 11.3135 13.1273 13.1273 k = 0.5703 0.0857 0.3189 ( 7071 PWs) bands (ev): -39.0034 -39.0034 -38.9851 -38.9851 -7.4385 -7.4385 -7.4205 -7.4205 -7.3973 -7.3973 -7.3663 -7.3663 -7.0040 -7.0040 -6.9574 -6.9574 -6.9259 -6.9259 -6.8786 -6.8786 -6.8276 -6.8276 -6.7894 -6.7894 -0.0625 -0.0625 2.0383 2.0383 4.8723 4.8723 6.2243 6.2243 8.6073 8.6073 11.1760 11.1760 11.4557 11.4557 13.0391 13.0391 k = 0.5742 0.0744 0.3253 ( 7071 PWs) bands (ev): -39.0030 -39.0030 -38.9854 -38.9854 -7.4386 -7.4386 -7.4211 -7.4211 -7.3968 -7.3968 -7.3657 -7.3657 -7.0035 -7.0035 -6.9565 -6.9565 -6.9262 -6.9262 -6.8809 -6.8809 -6.8273 -6.8273 -6.7880 -6.7880 -0.0164 -0.0164 2.0295 2.0295 4.7598 4.7598 6.1589 6.1589 8.5889 8.5889 11.3419 11.3419 11.5757 11.5757 12.9702 12.9702 k = 0.5781 0.0631 0.3317 ( 7067 PWs) bands (ev): -39.0026 -39.0026 -38.9858 -38.9858 -7.4386 -7.4386 -7.4218 -7.4218 -7.3963 -7.3963 -7.3653 -7.3653 -7.0031 -7.0031 -6.9555 -6.9555 -6.9264 -6.9264 -6.8832 -6.8832 -6.8271 -6.8271 -6.7868 -6.7868 0.0318 0.0318 2.0169 2.0169 4.6555 4.6555 6.0957 6.0957 8.5704 8.5704 11.5106 11.5106 11.6636 11.6636 12.9319 12.9319 k = 0.5820 0.0519 0.3381 ( 7063 PWs) bands (ev): -39.0022 -39.0022 -38.9862 -38.9862 -7.4386 -7.4386 -7.4224 -7.4224 -7.3959 -7.3959 -7.3649 -7.3649 -7.0026 -7.0026 -6.9545 -6.9545 -6.9266 -6.9266 -6.8854 -6.8854 -6.8269 -6.8269 -6.7857 -6.7857 0.0820 0.0820 2.0000 2.0000 4.5600 4.5600 6.0347 6.0347 8.5521 8.5521 11.6769 11.6769 11.7151 11.7151 12.9345 12.9345 k = 0.5859 0.0406 0.3445 ( 7065 PWs) bands (ev): -39.0018 -39.0018 -38.9866 -38.9866 -7.4386 -7.4386 -7.4229 -7.4229 -7.3954 -7.3954 -7.3647 -7.3647 -7.0021 -7.0021 -6.9534 -6.9534 -6.9269 -6.9269 -6.8874 -6.8874 -6.8267 -6.8267 -6.7848 -6.7848 0.1342 0.1342 1.9783 1.9783 4.4739 4.4739 5.9761 5.9761 8.5343 8.5343 11.7061 11.7061 11.8613 11.8613 12.9820 12.9820 k = 0.5898 0.0293 0.3508 ( 7065 PWs) bands (ev): -39.0014 -39.0014 -38.9870 -38.9870 -7.4385 -7.4385 -7.4234 -7.4234 -7.3949 -7.3949 -7.3644 -7.3644 -7.0017 -7.0017 -6.9525 -6.9525 -6.9271 -6.9271 -6.8894 -6.8894 -6.8265 -6.8265 -6.7839 -6.7839 0.1882 0.1882 1.9515 1.9515 4.3977 4.3977 5.9199 5.9199 8.5169 8.5169 11.6672 11.6672 12.0386 12.0386 13.0688 13.0688 k = 0.5938 0.0180 0.3572 ( 7069 PWs) bands (ev): -39.0009 -39.0009 -38.9875 -38.9875 -7.4384 -7.4384 -7.4239 -7.4239 -7.3945 -7.3945 -7.3643 -7.3643 -7.0012 -7.0012 -6.9515 -6.9515 -6.9273 -6.9273 -6.8911 -6.8911 -6.8263 -6.8263 -6.7831 -6.7831 0.2437 0.2437 1.9196 1.9196 4.3320 4.3320 5.8661 5.8661 8.5002 8.5002 11.5984 11.5984 12.2191 12.2191 13.1847 13.1847 k = 0.5977 0.0068 0.3636 ( 7071 PWs) bands (ev): -39.0005 -39.0005 -38.9879 -38.9879 -7.4383 -7.4383 -7.4243 -7.4243 -7.3940 -7.3940 -7.3642 -7.3642 -7.0008 -7.0008 -6.9506 -6.9506 -6.9275 -6.9275 -6.8927 -6.8927 -6.8260 -6.8260 -6.7825 -6.7825 0.3003 0.3003 1.8825 1.8825 4.2768 4.2768 5.8150 5.8150 8.4843 8.4843 11.5101 11.5101 12.4022 12.4022 13.3193 13.3193 k = 0.6016-0.0045 0.3700 ( 7076 PWs) bands (ev): -39.0001 -39.0001 -38.9883 -38.9883 -7.4381 -7.4381 -7.4247 -7.4247 -7.3936 -7.3936 -7.3643 -7.3643 -7.0004 -7.0004 -6.9499 -6.9499 -6.9276 -6.9276 -6.8942 -6.8942 -6.8258 -6.8258 -6.7820 -6.7820 0.3578 0.3578 1.8406 1.8406 4.2324 4.2324 5.7664 5.7664 8.4694 8.4694 11.4098 11.4098 12.5875 12.5875 13.4650 13.4650 k = 0.6055-0.0158 0.3764 ( 7075 PWs) bands (ev): -38.9996 -38.9996 -38.9887 -38.9887 -7.4380 -7.4380 -7.4250 -7.4250 -7.3932 -7.3932 -7.3643 -7.3643 -7.0000 -7.0000 -6.9493 -6.9493 -6.9277 -6.9277 -6.8954 -6.8954 -6.8255 -6.8255 -6.7816 -6.7816 0.4154 0.4154 1.7948 1.7948 4.1985 4.1985 5.7206 5.7206 8.4554 8.4554 11.3022 11.3022 12.7745 12.7745 13.6162 13.6162 k = 0.6094-0.0271 0.3827 ( 7067 PWs) bands (ev): -38.9992 -38.9992 -38.9891 -38.9891 -7.4378 -7.4378 -7.4253 -7.4253 -7.3929 -7.3929 -7.3645 -7.3645 -6.9996 -6.9996 -6.9488 -6.9488 -6.9277 -6.9277 -6.8964 -6.8964 -6.8253 -6.8253 -6.7813 -6.7813 0.4724 0.4724 1.7461 1.7461 4.1748 4.1748 5.6774 5.6774 8.4425 8.4425 11.1905 11.1905 12.9625 12.9625 13.7678 13.7678 k = 0.6133-0.0383 0.3891 ( 7067 PWs) bands (ev): -38.9988 -38.9988 -38.9895 -38.9895 -7.4376 -7.4376 -7.4255 -7.4255 -7.3926 -7.3926 -7.3647 -7.3647 -6.9993 -6.9993 -6.9486 -6.9486 -6.9276 -6.9276 -6.8973 -6.8973 -6.8251 -6.8251 -6.7811 -6.7811 0.5274 0.5274 1.6963 1.6963 4.1610 4.1610 5.6370 5.6370 8.4309 8.4309 11.0767 11.0767 13.1500 13.1500 13.9083 13.9083 k = 0.6172-0.0496 0.3955 ( 7066 PWs) bands (ev): -38.9985 -38.9985 -38.9899 -38.9899 -7.4373 -7.4373 -7.4257 -7.4257 -7.3923 -7.3923 -7.3650 -7.3650 -6.9989 -6.9989 -6.9486 -6.9486 -6.9274 -6.9274 -6.8978 -6.8978 -6.8248 -6.8248 -6.7810 -6.7810 0.5788 0.5788 1.6476 1.6476 4.1563 4.1563 5.5995 5.5995 8.4205 8.4205 10.9621 10.9621 13.3333 13.3333 13.9197 13.9197 k = 0.6211-0.0609 0.4019 ( 7064 PWs) bands (ev): -38.9982 -38.9982 -38.9902 -38.9902 -7.4371 -7.4371 -7.4258 -7.4258 -7.3921 -7.3921 -7.3653 -7.3653 -6.9985 -6.9985 -6.9488 -6.9488 -6.9271 -6.9271 -6.8982 -6.8982 -6.8246 -6.8246 -6.7811 -6.7811 0.6241 0.6241 1.6031 1.6031 4.1603 4.1603 5.5647 5.5647 8.4114 8.4114 10.8477 10.8477 13.5016 13.5016 13.9117 13.9117 k = 0.6250-0.0722 0.4082 ( 7070 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4369 -7.4369 -7.4259 -7.4259 -7.3919 -7.3919 -7.3656 -7.3656 -6.9982 -6.9982 -6.9493 -6.9493 -6.9268 -6.9268 -6.8983 -6.8983 -6.8244 -6.8244 -6.7812 -6.7812 0.6600 0.6600 1.5669 1.5669 4.1721 4.1721 5.5328 5.5328 8.4037 8.4037 10.7342 10.7342 13.6236 13.6236 13.9531 13.9531 k = 0.6250-0.0722 0.4082 ( 7070 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4369 -7.4369 -7.4259 -7.4259 -7.3919 -7.3919 -7.3656 -7.3656 -6.9982 -6.9982 -6.9493 -6.9493 -6.9268 -6.9268 -6.8983 -6.8983 -6.8244 -6.8244 -6.7812 -6.7812 0.6600 0.6600 1.5669 1.5669 4.1721 4.1721 5.5328 5.5328 8.4037 8.4037 10.7342 10.7342 13.6236 13.6236 13.9531 13.9531 k = 0.6181-0.0682 0.4196 ( 7068 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4368 -7.4368 -7.4260 -7.4260 -7.3918 -7.3918 -7.3656 -7.3656 -6.9982 -6.9982 -6.9492 -6.9492 -6.9268 -6.9268 -6.8984 -6.8984 -6.8244 -6.8244 -6.7812 -6.7812 0.6615 0.6615 1.5659 1.5659 4.1732 4.1732 5.5246 5.5246 8.4161 8.4161 10.7338 10.7338 13.6063 13.6063 13.8850 13.8850 k = 0.6111-0.0642 0.4309 ( 7063 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4368 -7.4368 -7.4261 -7.4261 -7.3917 -7.3917 -7.3656 -7.3656 -6.9982 -6.9982 -6.9491 -6.9491 -6.9267 -6.9267 -6.8986 -6.8986 -6.8244 -6.8244 -6.7811 -6.7811 0.6660 0.6660 1.5631 1.5631 4.1764 4.1764 5.5006 5.5006 8.4526 8.4526 10.7325 10.7325 13.5572 13.5572 13.7533 13.7533 k = 0.6042-0.0601 0.4423 ( 7063 PWs) bands (ev): -38.9978 -38.9978 -38.9906 -38.9906 -7.4368 -7.4368 -7.4264 -7.4264 -7.3915 -7.3915 -7.3655 -7.3655 -6.9982 -6.9982 -6.9489 -6.9489 -6.9267 -6.9267 -6.8989 -6.8989 -6.8245 -6.8245 -6.7809 -6.7809 0.6736 0.6736 1.5583 1.5583 4.1816 4.1816 5.4622 5.4622 8.5120 8.5120 10.7304 10.7304 13.4832 13.4832 13.6080 13.6080 k = 0.5972-0.0561 0.4536 ( 7066 PWs) bands (ev): -38.9977 -38.9977 -38.9907 -38.9907 -7.4367 -7.4367 -7.4267 -7.4267 -7.3912 -7.3912 -7.3654 -7.3654 -6.9983 -6.9983 -6.9486 -6.9486 -6.9266 -6.9266 -6.8994 -6.8994 -6.8246 -6.8246 -6.7807 -6.7807 0.6841 0.6841 1.5514 1.5514 4.1890 4.1890 5.4114 5.4114 8.5921 8.5921 10.7273 10.7273 13.3918 13.3918 13.4605 13.4605 k = 0.5903-0.0521 0.4649 ( 7060 PWs) bands (ev): -38.9976 -38.9976 -38.9908 -38.9908 -7.4367 -7.4367 -7.4271 -7.4271 -7.3909 -7.3909 -7.3653 -7.3653 -6.9983 -6.9983 -6.9483 -6.9483 -6.9265 -6.9265 -6.9000 -6.9000 -6.8247 -6.8247 -6.7803 -6.7803 0.6977 0.6977 1.5424 1.5424 4.1984 4.1984 5.3505 5.3505 8.6905 8.6905 10.7231 10.7231 13.2884 13.2884 13.3146 13.3146 k = 0.5833-0.0481 0.4763 ( 7060 PWs) bands (ev): -38.9975 -38.9975 -38.9909 -38.9909 -7.4366 -7.4366 -7.4276 -7.4276 -7.3905 -7.3905 -7.3652 -7.3652 -6.9984 -6.9984 -6.9479 -6.9479 -6.9263 -6.9263 -6.9007 -6.9007 -6.8248 -6.8248 -6.7800 -6.7800 0.7143 0.7143 1.5311 1.5311 4.2100 4.2100 5.2822 5.2822 8.8045 8.8045 10.7175 10.7175 13.1647 13.1647 13.1849 13.1849 k = 0.5764-0.0441 0.4876 ( 7068 PWs) bands (ev): -38.9973 -38.9973 -38.9911 -38.9911 -7.4365 -7.4365 -7.4282 -7.4282 -7.3902 -7.3902 -7.3651 -7.3651 -6.9985 -6.9985 -6.9474 -6.9474 -6.9262 -6.9262 -6.9016 -6.9016 -6.8249 -6.8249 -6.7796 -6.7796 0.7339 0.7339 1.5174 1.5174 4.2235 4.2235 5.2087 5.2087 8.9319 8.9319 10.7105 10.7105 13.0247 13.0247 13.0719 13.0719 k = 0.5694-0.0401 0.4990 ( 7068 PWs) bands (ev): -38.9971 -38.9971 -38.9912 -38.9912 -7.4364 -7.4364 -7.4287 -7.4287 -7.3898 -7.3898 -7.3649 -7.3649 -6.9986 -6.9986 -6.9468 -6.9468 -6.9260 -6.9260 -6.9025 -6.9025 -6.8250 -6.8250 -6.7792 -6.7792 0.7566 0.7566 1.5010 1.5010 4.2392 4.2392 5.1321 5.1321 9.0700 9.0700 10.7015 10.7015 12.8871 12.8871 12.9598 12.9598 k = 0.5625-0.0361 0.5103 ( 7064 PWs) bands (ev): -38.9969 -38.9969 -38.9914 -38.9914 -7.4363 -7.4363 -7.4293 -7.4293 -7.3894 -7.3894 -7.3647 -7.3647 -6.9987 -6.9987 -6.9462 -6.9462 -6.9259 -6.9259 -6.9035 -6.9035 -6.8252 -6.8252 -6.7788 -6.7788 0.7822 0.7822 1.4818 1.4818 4.2568 4.2568 5.0544 5.0544 9.2167 9.2167 10.6905 10.6905 12.7540 12.7540 12.8494 12.8494 k = 0.5556-0.0321 0.5217 ( 7072 PWs) bands (ev): -38.9967 -38.9967 -38.9917 -38.9917 -7.4361 -7.4361 -7.4299 -7.4299 -7.3890 -7.3890 -7.3646 -7.3646 -6.9987 -6.9987 -6.9456 -6.9456 -6.9257 -6.9257 -6.9045 -6.9045 -6.8253 -6.8253 -6.7783 -6.7783 0.8109 0.8109 1.4595 1.4595 4.2764 4.2764 4.9771 4.9771 9.3697 9.3697 10.6768 10.6768 12.6266 12.6266 12.7420 12.7420 k = 0.5486-0.0281 0.5330 ( 7075 PWs) bands (ev): -38.9965 -38.9965 -38.9919 -38.9919 -7.4359 -7.4359 -7.4305 -7.4305 -7.3886 -7.3886 -7.3644 -7.3644 -6.9988 -6.9988 -6.9449 -6.9449 -6.9255 -6.9255 -6.9056 -6.9056 -6.8254 -6.8254 -6.7779 -6.7779 0.8426 0.8426 1.4339 1.4339 4.2980 4.2980 4.9018 4.9018 9.5267 9.5267 10.6602 10.6602 12.5060 12.5060 12.6389 12.6389 k = 0.5417-0.0241 0.5443 ( 7082 PWs) bands (ev): -38.9962 -38.9962 -38.9922 -38.9922 -7.4358 -7.4358 -7.4310 -7.4310 -7.3883 -7.3883 -7.3642 -7.3642 -6.9989 -6.9989 -6.9442 -6.9442 -6.9254 -6.9254 -6.9067 -6.9067 -6.8255 -6.8255 -6.7775 -6.7775 0.8773 0.8773 1.4048 1.4048 4.3215 4.3215 4.8295 4.8295 9.6850 9.6850 10.6401 10.6401 12.3940 12.3940 12.5410 12.5410 k = 0.5347-0.0200 0.5557 ( 7081 PWs) bands (ev): -38.9959 -38.9959 -38.9925 -38.9925 -7.4356 -7.4356 -7.4315 -7.4315 -7.3880 -7.3880 -7.3640 -7.3640 -6.9990 -6.9990 -6.9435 -6.9435 -6.9252 -6.9252 -6.9077 -6.9077 -6.8256 -6.8256 -6.7772 -6.7772 0.9151 0.9151 1.3721 1.3721 4.3469 4.3469 4.7613 4.7613 9.8416 9.8416 10.6161 10.6161 12.2931 12.2931 12.4493 12.4493 k = 0.5278-0.0160 0.5670 ( 7083 PWs) bands (ev): -38.9956 -38.9956 -38.9928 -38.9928 -7.4354 -7.4354 -7.4320 -7.4320 -7.3878 -7.3878 -7.3639 -7.3639 -6.9991 -6.9991 -6.9429 -6.9429 -6.9251 -6.9251 -6.9086 -6.9086 -6.8257 -6.8257 -6.7769 -6.7769 0.9558 0.9558 1.3356 1.3356 4.3740 4.3740 4.6981 4.6981 9.9925 9.9925 10.5877 10.5877 12.2064 12.2064 12.3648 12.3648 k = 0.5208-0.0120 0.5784 ( 7094 PWs) bands (ev): -38.9953 -38.9953 -38.9931 -38.9931 -7.4352 -7.4352 -7.4325 -7.4325 -7.3876 -7.3876 -7.3638 -7.3638 -6.9991 -6.9991 -6.9423 -6.9423 -6.9250 -6.9250 -6.9094 -6.9094 -6.8257 -6.8257 -6.7766 -6.7766 0.9996 0.9996 1.2951 1.2951 4.4028 4.4028 4.6405 4.6405 10.1326 10.1326 10.5547 10.5547 12.1384 12.1384 12.2881 12.2881 k = 0.5139-0.0080 0.5897 ( 7084 PWs) bands (ev): -38.9949 -38.9949 -38.9934 -38.9934 -7.4350 -7.4350 -7.4328 -7.4328 -7.3875 -7.3875 -7.3637 -7.3637 -6.9992 -6.9992 -6.9418 -6.9418 -6.9250 -6.9250 -6.9101 -6.9101 -6.8258 -6.8258 -6.7764 -6.7764 1.0464 1.0464 1.2507 1.2507 4.4330 4.4330 4.5895 4.5895 10.2554 10.2554 10.5167 10.5167 12.0952 12.0952 12.2198 12.2198 k = 0.5069-0.0040 0.6010 ( 7090 PWs) bands (ev): -38.9946 -38.9946 -38.9938 -38.9938 -7.4348 -7.4348 -7.4331 -7.4331 -7.3874 -7.3874 -7.3636 -7.3636 -6.9992 -6.9992 -6.9415 -6.9415 -6.9249 -6.9249 -6.9105 -6.9105 -6.8258 -6.8258 -6.7763 -6.7763 1.0960 1.0960 1.2025 1.2025 4.4633 4.4633 4.5465 4.5465 10.3531 10.3531 10.4743 10.4743 12.0836 12.0836 12.1603 12.1603 k = 0.5000-0.0000 0.6124 ( 7104 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4348 -7.4348 -7.4332 -7.4332 -7.3874 -7.3874 -7.3636 -7.3636 -6.9992 -6.9992 -6.9414 -6.9414 -6.9249 -6.9249 -6.9106 -6.9106 -6.8258 -6.8258 -6.7763 -6.7763 1.1418 1.1418 1.1571 1.1571 4.4831 4.4831 4.5225 4.5225 10.4074 10.4074 10.4394 10.4394 12.1074 12.1074 12.1118 12.1118 k = 0.5000-0.0000 0.6124 ( 7104 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4348 -7.4348 -7.4332 -7.4332 -7.3874 -7.3874 -7.3636 -7.3636 -6.9992 -6.9992 -6.9414 -6.9414 -6.9249 -6.9249 -6.9106 -6.9106 -6.8258 -6.8258 -6.7763 -6.7763 1.1418 1.1418 1.1571 1.1571 4.4831 4.4831 4.5225 4.5225 10.4074 10.4074 10.4394 10.4394 12.1074 12.1074 12.1118 12.1118 k = 0.5000 0.0080 0.6010 ( 7094 PWs) bands (ev): -38.9947 -38.9947 -38.9936 -38.9936 -7.4349 -7.4349 -7.4330 -7.4330 -7.3874 -7.3874 -7.3636 -7.3636 -6.9992 -6.9992 -6.9415 -6.9415 -6.9250 -6.9250 -6.9104 -6.9104 -6.8258 -6.8258 -6.7763 -6.7763 1.0720 1.0720 1.2266 1.2266 4.4517 4.4517 4.5590 4.5590 10.3479 10.3479 10.4961 10.4961 12.0477 12.0477 12.1778 12.1778 k = 0.5000 0.0160 0.5897 ( 7088 PWs) bands (ev): -38.9953 -38.9953 -38.9931 -38.9931 -7.4352 -7.4352 -7.4327 -7.4327 -7.3875 -7.3875 -7.3636 -7.3636 -6.9993 -6.9993 -6.9417 -6.9417 -6.9251 -6.9251 -6.9100 -6.9100 -6.8258 -6.8258 -6.7764 -6.7764 0.9953 0.9953 1.3025 1.3025 4.4118 4.4118 4.6143 4.6143 10.2736 10.2736 10.5618 10.5618 11.9939 11.9939 12.2511 12.2511 k = 0.5000 0.0241 0.5784 ( 7094 PWs) bands (ev): -38.9958 -38.9958 -38.9925 -38.9925 -7.4356 -7.4356 -7.4322 -7.4322 -7.3878 -7.3878 -7.3635 -7.3635 -6.9994 -6.9994 -6.9421 -6.9421 -6.9253 -6.9253 -6.9092 -6.9092 -6.8259 -6.8259 -6.7766 -6.7766 0.9189 0.9189 1.3774 1.3774 4.3767 4.3767 4.6752 4.6752 10.1980 10.1980 10.6217 10.6217 11.9502 11.9502 12.3284 12.3284 k = 0.5000 0.0321 0.5670 ( 7078 PWs) bands (ev): -38.9964 -38.9964 -38.9920 -38.9920 -7.4359 -7.4359 -7.4317 -7.4317 -7.3880 -7.3880 -7.3635 -7.3635 -6.9995 -6.9995 -6.9426 -6.9426 -6.9256 -6.9256 -6.9082 -6.9082 -6.8259 -6.8259 -6.7768 -6.7768 0.8432 0.8432 1.4506 1.4506 4.3480 4.3480 4.7405 4.7405 10.1224 10.1224 10.6728 10.6728 11.9189 11.9189 12.4088 12.4088 k = 0.5000 0.0401 0.5557 ( 7070 PWs) bands (ev): -38.9969 -38.9969 -38.9914 -38.9914 -7.4363 -7.4363 -7.4311 -7.4311 -7.3884 -7.3884 -7.3635 -7.3635 -6.9996 -6.9996 -6.9433 -6.9433 -6.9258 -6.9258 -6.9069 -6.9069 -6.8260 -6.8260 -6.7771 -6.7771 0.7685 0.7685 1.5216 1.5216 4.3263 4.3263 4.8096 4.8096 10.0473 10.0473 10.7126 10.7126 11.9028 11.9028 12.4915 12.4915 k = 0.5000 0.0481 0.5443 ( 7074 PWs) bands (ev): -38.9975 -38.9975 -38.9909 -38.9909 -7.4366 -7.4366 -7.4305 -7.4305 -7.3888 -7.3888 -7.3634 -7.3634 -6.9997 -6.9997 -6.9441 -6.9441 -6.9260 -6.9260 -6.9055 -6.9055 -6.8261 -6.8261 -6.7775 -6.7775 0.6950 0.6950 1.5898 1.5898 4.3124 4.3124 4.8822 4.8822 9.9732 9.9732 10.7386 10.7386 11.9040 11.9040 12.5756 12.5756 k = 0.5000 0.0561 0.5330 ( 7072 PWs) bands (ev): -38.9980 -38.9980 -38.9904 -38.9904 -7.4369 -7.4369 -7.4299 -7.4299 -7.3893 -7.3893 -7.3634 -7.3634 -6.9999 -6.9999 -6.9450 -6.9450 -6.9262 -6.9262 -6.9040 -6.9040 -6.8261 -6.8261 -6.7779 -6.7779 0.6230 0.6230 1.6545 1.6545 4.3068 4.3068 4.9580 4.9580 9.9004 9.9004 10.7493 10.7493 11.9239 11.9239 12.6602 12.6602 k = 0.5000 0.0642 0.5217 ( 7070 PWs) bands (ev): -38.9985 -38.9985 -38.9899 -38.9899 -7.4372 -7.4372 -7.4292 -7.4292 -7.3898 -7.3898 -7.3634 -7.3634 -7.0001 -7.0001 -6.9459 -6.9459 -6.9263 -6.9263 -6.9023 -6.9023 -6.8262 -6.8262 -6.7784 -6.7784 0.5525 0.5525 1.7152 1.7152 4.3101 4.3101 5.0369 5.0369 9.8291 9.8291 10.7448 10.7448 11.9625 11.9625 12.7438 12.7438 k = 0.5000 0.0722 0.5103 ( 7068 PWs) bands (ev): -38.9990 -38.9990 -38.9893 -38.9893 -7.4375 -7.4375 -7.4286 -7.4286 -7.3904 -7.3904 -7.3634 -7.3634 -7.0004 -7.0004 -6.9470 -6.9470 -6.9264 -6.9264 -6.9005 -6.9005 -6.8263 -6.8263 -6.7790 -6.7790 0.4838 0.4838 1.7714 1.7714 4.3230 4.3230 5.1185 5.1185 9.7595 9.7595 10.7264 10.7264 12.0183 12.0183 12.8243 12.8243 k = 0.5000 0.0802 0.4990 ( 7066 PWs) bands (ev): -38.9995 -38.9995 -38.9888 -38.9888 -7.4377 -7.4377 -7.4279 -7.4279 -7.3910 -7.3910 -7.3635 -7.3635 -7.0007 -7.0007 -6.9481 -6.9481 -6.9265 -6.9265 -6.8986 -6.8986 -6.8265 -6.8265 -6.7797 -6.7797 0.4169 0.4169 1.8225 1.8225 4.3459 4.3459 5.2027 5.2027 9.6917 9.6917 10.6960 10.6960 12.0892 12.0892 12.8982 12.8982 k = 0.5000 0.0882 0.4876 ( 7070 PWs) bands (ev): -39.0000 -39.0000 -38.9883 -38.9883 -7.4379 -7.4379 -7.4271 -7.4271 -7.3916 -7.3916 -7.3636 -7.3636 -7.0010 -7.0010 -6.9492 -6.9492 -6.9265 -6.9265 -6.8966 -6.8966 -6.8266 -6.8266 -6.7805 -6.7805 0.3521 0.3521 1.8682 1.8682 4.3791 4.3791 5.2893 5.2893 9.6260 9.6260 10.6561 10.6561 12.1725 12.1725 12.9591 12.9591 k = 0.5000 0.0962 0.4763 ( 7062 PWs) bands (ev): -39.0005 -39.0005 -38.9879 -38.9879 -7.4381 -7.4381 -7.4264 -7.4264 -7.3923 -7.3923 -7.3638 -7.3638 -7.0013 -7.0013 -6.9503 -6.9503 -6.9264 -6.9264 -6.8945 -6.8945 -6.8267 -6.8267 -6.7813 -6.7813 0.2893 0.2893 1.9083 1.9083 4.4229 4.4229 5.3781 5.3781 9.5622 9.5622 10.6088 10.6088 12.2660 12.2660 12.9955 12.9955 k = 0.5000 0.1042 0.4649 ( 7068 PWs) bands (ev): -39.0010 -39.0010 -38.9874 -38.9874 -7.4382 -7.4382 -7.4257 -7.4257 -7.3930 -7.3930 -7.3640 -7.3640 -7.0017 -7.0017 -6.9515 -6.9515 -6.9264 -6.9264 -6.8923 -6.8923 -6.8269 -6.8269 -6.7823 -6.7823 0.2286 0.2286 1.9426 1.9426 4.4773 4.4773 5.4688 5.4688 9.5005 9.5005 10.5557 10.5557 12.3676 12.3676 12.9887 12.9887 k = 0.5000 0.1123 0.4536 ( 7072 PWs) bands (ev): -39.0015 -39.0015 -38.9869 -38.9869 -7.4384 -7.4384 -7.4249 -7.4249 -7.3936 -7.3936 -7.3643 -7.3643 -7.0021 -7.0021 -6.9526 -6.9526 -6.9263 -6.9263 -6.8900 -6.8900 -6.8270 -6.8270 -6.7833 -6.7833 0.1702 0.1702 1.9714 1.9714 4.5421 4.5421 5.5614 5.5614 9.4410 9.4410 10.4983 10.4983 12.4755 12.4755 12.9193 12.9193 k = 0.5000 0.1203 0.4423 ( 7076 PWs) bands (ev): -39.0019 -39.0019 -38.9865 -38.9865 -7.4384 -7.4384 -7.4241 -7.4241 -7.3943 -7.3943 -7.3646 -7.3646 -7.0025 -7.0025 -6.9537 -6.9537 -6.9262 -6.9262 -6.8876 -6.8876 -6.8272 -6.8272 -6.7844 -6.7844 0.1142 0.1142 1.9948 1.9948 4.6172 4.6172 5.6556 5.6556 9.3836 9.3836 10.4374 10.4374 12.5869 12.5869 12.7874 12.7874 k = 0.5000 0.1283 0.4309 ( 7074 PWs) bands (ev): -39.0023 -39.0023 -38.9861 -38.9861 -7.4385 -7.4385 -7.4233 -7.4233 -7.3950 -7.3950 -7.3650 -7.3650 -7.0029 -7.0029 -6.9548 -6.9548 -6.9261 -6.9261 -6.8852 -6.8852 -6.8273 -6.8273 -6.7856 -6.7856 0.0604 0.0604 2.0133 2.0133 4.7021 4.7021 5.7512 5.7512 9.3284 9.3284 10.3740 10.3740 12.5965 12.5965 12.7152 12.7152 k = 0.5000 0.1363 0.4196 ( 7074 PWs) bands (ev): -39.0028 -39.0028 -38.9856 -38.9856 -7.4385 -7.4385 -7.4225 -7.4225 -7.3957 -7.3957 -7.3654 -7.3654 -7.0034 -7.0034 -6.9559 -6.9559 -6.9259 -6.9259 -6.8827 -6.8827 -6.8275 -6.8275 -6.7869 -6.7869 0.0091 0.0091 2.0272 2.0272 4.7964 4.7964 5.8479 5.8479 9.2753 9.2753 10.3085 10.3085 12.3953 12.3953 12.8302 12.8302 k = 0.5000 0.1443 0.4082 ( 7066 PWs) bands (ev): -39.0032 -39.0032 -38.9852 -38.9852 -7.4385 -7.4385 -7.4216 -7.4216 -7.3963 -7.3963 -7.3659 -7.3659 -7.0039 -7.0039 -6.9570 -6.9570 -6.9258 -6.9258 -6.8802 -6.8802 -6.8276 -6.8276 -6.7883 -6.7883 -0.0398 -0.0398 2.0370 2.0370 4.8994 4.8994 5.9457 5.9457 9.2243 9.2243 10.2413 10.2413 12.1760 12.1760 12.9508 12.9508 k = 0.5000 0.1524 0.3969 ( 7082 PWs) bands (ev): -39.0036 -39.0036 -38.9849 -38.9849 -7.4385 -7.4385 -7.4208 -7.4208 -7.3970 -7.3970 -7.3665 -7.3665 -7.0044 -7.0044 -6.9579 -6.9579 -6.9256 -6.9256 -6.8776 -6.8776 -6.8278 -6.8278 -6.7898 -6.7898 -0.0861 -0.0861 2.0434 2.0434 5.0105 5.0105 6.0441 6.0441 9.1753 9.1753 10.1727 10.1727 11.9495 11.9495 13.0712 13.0712 k = 0.5000 0.1604 0.3856 ( 7080 PWs) bands (ev): -39.0039 -39.0039 -38.9845 -38.9845 -7.4384 -7.4384 -7.4199 -7.4199 -7.3976 -7.3976 -7.3672 -7.3672 -7.0049 -7.0049 -6.9589 -6.9589 -6.9255 -6.9255 -6.8749 -6.8749 -6.8280 -6.8280 -6.7914 -6.7914 -0.1300 -0.1300 2.0468 2.0468 5.1292 5.1292 6.1430 6.1430 9.1283 9.1283 10.1031 10.1031 11.7200 11.7200 13.1885 13.1885 k = 0.5000 0.1684 0.3742 ( 7082 PWs) bands (ev): -39.0043 -39.0043 -38.9842 -38.9842 -7.4383 -7.4383 -7.4191 -7.4191 -7.3982 -7.3982 -7.3679 -7.3679 -7.0054 -7.0054 -6.9598 -6.9598 -6.9253 -6.9253 -6.8721 -6.8721 -6.8281 -6.8281 -6.7931 -6.7931 -0.1713 -0.1713 2.0478 2.0478 5.2549 5.2549 6.2420 6.2420 9.0830 9.0830 10.0327 10.0327 11.4902 11.4902 13.2986 13.2986 k = 0.5000 0.1764 0.3629 ( 7082 PWs) bands (ev): -39.0046 -39.0046 -38.9839 -38.9839 -7.4382 -7.4382 -7.4182 -7.4182 -7.3987 -7.3987 -7.3686 -7.3686 -7.0059 -7.0059 -6.9606 -6.9606 -6.9251 -6.9251 -6.8694 -6.8694 -6.8283 -6.8283 -6.7949 -6.7949 -0.2100 -0.2100 2.0467 2.0467 5.3869 5.3869 6.3408 6.3408 9.0393 9.0393 9.9616 9.9616 11.2616 11.2616 13.3958 13.3958 k = 0.5000 0.1844 0.3515 ( 7090 PWs) bands (ev): -39.0049 -39.0049 -38.9835 -38.9835 -7.4380 -7.4380 -7.4174 -7.4174 -7.3992 -7.3992 -7.3694 -7.3694 -7.0064 -7.0064 -6.9614 -6.9614 -6.9249 -6.9249 -6.8666 -6.8666 -6.8284 -6.8284 -6.7968 -6.7968 -0.2461 -0.2461 2.0442 2.0442 5.5246 5.5246 6.4389 6.4389 8.9969 8.9969 9.8902 9.8902 11.0357 11.0357 13.4721 13.4721 k = 0.5000 0.1925 0.3402 ( 7102 PWs) bands (ev): -39.0052 -39.0052 -38.9833 -38.9833 -7.4379 -7.4379 -7.4166 -7.4166 -7.3997 -7.3997 -7.3702 -7.3702 -7.0068 -7.0068 -6.9621 -6.9621 -6.9248 -6.9248 -6.8637 -6.8637 -6.8286 -6.8286 -6.7987 -6.7987 -0.2796 -0.2796 2.0405 2.0405 5.6675 5.6675 6.5360 6.5360 8.9554 8.9554 9.8188 9.8188 10.8134 10.8134 13.5196 13.5196 k = 0.5000 0.2005 0.3289 ( 7092 PWs) bands (ev): -39.0055 -39.0055 -38.9830 -38.9830 -7.4377 -7.4377 -7.4158 -7.4158 -7.4000 -7.4000 -7.3711 -7.3711 -7.0073 -7.0073 -6.9628 -6.9628 -6.9246 -6.9246 -6.8608 -6.8608 -6.8287 -6.8287 -6.8008 -6.8008 -0.3105 -0.3105 2.0360 2.0360 5.8150 5.8150 6.6315 6.6315 8.9143 8.9143 9.7477 9.7477 10.5962 10.5962 13.5355 13.5355 k = 0.5000 0.2085 0.3175 ( 7088 PWs) bands (ev): -39.0057 -39.0057 -38.9828 -38.9828 -7.4376 -7.4376 -7.4151 -7.4151 -7.4004 -7.4004 -7.3720 -7.3720 -7.0078 -7.0078 -6.9634 -6.9634 -6.9244 -6.9244 -6.8579 -6.8579 -6.8289 -6.8289 -6.8029 -6.8029 -0.3388 -0.3388 2.0310 2.0310 5.9665 5.9665 6.7247 6.7247 8.8726 8.8726 9.6774 9.6774 10.3853 10.3853 13.5247 13.5247 k = 0.5000 0.2165 0.3062 ( 7090 PWs) bands (ev): -39.0059 -39.0059 -38.9825 -38.9825 -7.4374 -7.4374 -7.4145 -7.4145 -7.4006 -7.4006 -7.3729 -7.3729 -7.0082 -7.0082 -6.9640 -6.9640 -6.9243 -6.9243 -6.8550 -6.8550 -6.8290 -6.8290 -6.8052 -6.8052 -0.3643 -0.3643 2.0258 2.0258 6.1212 6.1212 6.8150 6.8150 8.8292 8.8292 9.6085 9.6085 10.1827 10.1827 13.4964 13.4964 k = 0.5000 0.2245 0.2948 ( 7088 PWs) bands (ev): -39.0061 -39.0061 -38.9823 -38.9823 -7.4372 -7.4372 -7.4139 -7.4139 -7.4007 -7.4007 -7.3737 -7.3737 -7.0086 -7.0086 -6.9645 -6.9645 -6.9241 -6.9241 -6.8520 -6.8520 -6.8291 -6.8291 -6.8075 -6.8075 -0.3872 -0.3872 2.0206 2.0206 6.2783 6.2783 6.9014 6.9014 8.7824 8.7824 9.5418 9.5418 9.9907 9.9907 13.4590 13.4590 k = 0.5000 0.2325 0.2835 ( 7082 PWs) bands (ev): -39.0063 -39.0063 -38.9822 -38.9822 -7.4370 -7.4370 -7.4134 -7.4134 -7.4008 -7.4008 -7.3746 -7.3746 -7.0089 -7.0089 -6.9649 -6.9649 -6.9240 -6.9240 -6.8491 -6.8491 -6.8292 -6.8292 -6.8099 -6.8099 -0.4075 -0.4075 2.0156 2.0156 6.4367 6.4367 6.9831 6.9831 8.7299 8.7299 9.4780 9.4780 9.8127 9.8127 13.4186 13.4186 k = 0.5000 0.2406 0.2722 ( 7086 PWs) bands (ev): -39.0065 -39.0065 -38.9820 -38.9820 -7.4369 -7.4369 -7.4129 -7.4129 -7.4008 -7.4008 -7.3754 -7.3754 -7.0093 -7.0093 -6.9653 -6.9653 -6.9239 -6.9239 -6.8461 -6.8461 -6.8293 -6.8293 -6.8123 -6.8123 -0.4250 -0.4250 2.0110 2.0110 6.5950 6.5950 7.0590 7.0590 8.6689 8.6689 9.4183 9.4183 9.6528 9.6528 13.3792 13.3792 k = 0.5000 0.2486 0.2608 ( 7086 PWs) bands (ev): -39.0066 -39.0066 -38.9819 -38.9819 -7.4367 -7.4367 -7.4126 -7.4126 -7.4007 -7.4007 -7.3761 -7.3761 -7.0095 -7.0095 -6.9656 -6.9656 -6.9238 -6.9238 -6.8432 -6.8432 -6.8294 -6.8294 -6.8148 -6.8148 -0.4398 -0.4398 2.0068 2.0068 6.7509 6.7509 7.1279 7.1279 8.5966 8.5966 9.3639 9.3639 9.5155 9.5155 13.3433 13.3433 k = 0.5000 0.2566 0.2495 ( 7090 PWs) bands (ev): -39.0067 -39.0067 -38.9818 -38.9818 -7.4366 -7.4366 -7.4124 -7.4124 -7.4006 -7.4006 -7.3768 -7.3768 -7.0098 -7.0098 -6.9659 -6.9659 -6.9237 -6.9237 -6.8402 -6.8402 -6.8294 -6.8294 -6.8174 -6.8174 -0.4520 -0.4520 2.0033 2.0033 6.9006 6.9006 7.1888 7.1888 8.5125 8.5125 9.3162 9.3162 9.4049 9.4049 13.3123 13.3123 k = 0.5000 0.2646 0.2381 ( 7096 PWs) bands (ev): -39.0068 -39.0068 -38.9817 -38.9817 -7.4365 -7.4365 -7.4122 -7.4122 -7.4004 -7.4004 -7.3773 -7.3773 -7.0099 -7.0099 -6.9661 -6.9661 -6.9236 -6.9236 -6.8373 -6.8373 -6.8295 -6.8295 -6.8201 -6.8201 -0.4615 -0.4615 2.0005 2.0005 7.0375 7.0375 7.2418 7.2418 8.4201 8.4201 9.2764 9.2764 9.3226 9.3226 13.2875 13.2875 k = 0.5000 0.2726 0.2268 ( 7102 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4003 -7.4003 -7.3777 -7.3777 -7.0101 -7.0101 -6.9662 -6.9662 -6.9236 -6.9236 -6.8345 -6.8345 -6.8295 -6.8295 -6.8227 -6.8227 -0.4682 -0.4682 1.9984 1.9984 7.1487 7.1487 7.2888 7.2888 8.3299 8.3299 9.2453 9.2453 9.2682 9.2682 13.2693 13.2693 k = 0.5000 0.2807 0.2155 ( 7120 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4002 -7.4002 -7.3780 -7.3780 -7.0101 -7.0101 -6.9663 -6.9663 -6.9235 -6.9235 -6.8318 -6.8318 -6.8295 -6.8295 -6.8253 -6.8253 -0.4723 -0.4723 1.9971 1.9971 7.2161 7.2161 7.3311 7.3311 8.2600 8.2600 9.2233 9.2233 9.2399 9.2399 13.2583 13.2583 k = 0.5000 0.2887 0.2041 ( 7120 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4002 -7.4002 -7.3781 -7.3781 -7.0102 -7.0102 -6.9663 -6.9663 -6.9235 -6.9235 -6.8303 -6.8303 -6.8294 -6.8294 -6.8269 -6.8269 -0.4736 -0.4736 1.9967 1.9967 7.2365 7.2365 7.3509 7.3509 8.2329 8.2329 9.2149 9.2149 9.2317 9.2317 13.2545 13.2545 k = 0.5000 0.2887 0.2041 ( 7120 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4002 -7.4002 -7.3781 -7.3781 -7.0102 -7.0102 -6.9663 -6.9663 -6.9235 -6.9235 -6.8303 -6.8303 -6.8294 -6.8294 -6.8269 -6.8269 -0.4736 -0.4736 1.9967 1.9967 7.2365 7.2365 7.3509 7.3509 8.2329 8.2329 9.2149 9.2149 9.2317 9.2317 13.2545 13.2545 k = 0.4961 0.2864 0.2169 ( 7120 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4002 -7.4002 -7.3780 -7.3780 -7.0101 -7.0101 -6.9663 -6.9663 -6.9235 -6.9235 -6.8318 -6.8318 -6.8295 -6.8295 -6.8253 -6.8253 -0.4724 -0.4724 1.9971 1.9971 7.2172 7.2172 7.3320 7.3320 8.2587 8.2587 9.2229 9.2229 9.2395 9.2395 13.2581 13.2581 k = 0.4922 0.2842 0.2296 ( 7104 PWs) bands (ev): -39.0069 -39.0069 -38.9816 -38.9816 -7.4364 -7.4364 -7.4120 -7.4120 -7.4003 -7.4003 -7.3777 -7.3777 -7.0101 -7.0101 -6.9662 -6.9662 -6.9236 -6.9236 -6.8344 -6.8344 -6.8295 -6.8295 -6.8228 -6.8228 -0.4685 -0.4685 1.9983 1.9983 7.1533 7.1533 7.2912 7.2912 8.3256 8.3256 9.2451 9.2451 9.2650 9.2650 13.2686 13.2686 k = 0.4883 0.2819 0.2424 ( 7093 PWs) bands (ev): -39.0068 -39.0068 -38.9817 -38.9817 -7.4365 -7.4365 -7.4122 -7.4122 -7.4004 -7.4004 -7.3774 -7.3774 -7.0100 -7.0100 -6.9661 -6.9661 -6.9236 -6.9236 -6.8371 -6.8371 -6.8295 -6.8295 -6.8203 -6.8203 -0.4621 -0.4621 2.0003 2.0003 7.0467 7.0467 7.2463 7.2463 8.4121 8.4121 9.2818 9.2818 9.3098 9.3098 13.2858 13.2858 k = 0.4844 0.2797 0.2552 ( 7091 PWs) bands (ev): -39.0067 -39.0067 -38.9818 -38.9818 -7.4366 -7.4366 -7.4123 -7.4123 -7.4006 -7.4006 -7.3768 -7.3768 -7.0098 -7.0098 -6.9659 -6.9659 -6.9237 -6.9237 -6.8399 -6.8399 -6.8294 -6.8294 -6.8177 -6.8177 -0.4531 -0.4531 2.0030 2.0030 6.9140 6.9140 7.1970 7.1970 8.4997 8.4997 9.3374 9.3374 9.3720 9.3720 13.3095 13.3095 k = 0.4805 0.2774 0.2679 ( 7087 PWs) bands (ev): -39.0066 -39.0066 -38.9819 -38.9819 -7.4367 -7.4367 -7.4126 -7.4126 -7.4007 -7.4007 -7.3762 -7.3762 -7.0096 -7.0096 -6.9657 -6.9657 -6.9238 -6.9238 -6.8428 -6.8428 -6.8294 -6.8294 -6.8152 -6.8152 -0.4416 -0.4416 2.0063 2.0063 6.7676 6.7676 7.1416 7.1416 8.5757 8.5757 9.4164 9.4164 9.4490 9.4490 13.3390 13.3390 k = 0.4766 0.2751 0.2807 ( 7084 PWs) bands (ev): -39.0065 -39.0065 -38.9820 -38.9820 -7.4369 -7.4369 -7.4129 -7.4129 -7.4008 -7.4008 -7.3755 -7.3755 -7.0093 -7.0093 -6.9653 -6.9653 -6.9239 -6.9239 -6.8457 -6.8457 -6.8293 -6.8293 -6.8127 -6.8127 -0.4275 -0.4275 2.0103 2.0103 6.6141 6.6141 7.0804 7.0804 8.6337 8.6337 9.5199 9.5199 9.5392 9.5392 13.3735 13.3735 k = 0.4727 0.2729 0.2934 ( 7079 PWs) bands (ev): -39.0064 -39.0064 -38.9821 -38.9821 -7.4370 -7.4370 -7.4133 -7.4133 -7.4008 -7.4008 -7.3747 -7.3747 -7.0090 -7.0090 -6.9650 -6.9650 -6.9240 -6.9240 -6.8485 -6.8485 -6.8292 -6.8292 -6.8103 -6.8103 -0.4108 -0.4108 2.0147 2.0147 6.4572 6.4572 7.0145 7.0145 8.6732 8.6732 9.6360 9.6360 9.6504 9.6504 13.4115 13.4115 k = 0.4688 0.2706 0.3062 ( 7087 PWs) bands (ev): -39.0062 -39.0062 -38.9823 -38.9823 -7.4372 -7.4372 -7.4137 -7.4137 -7.4008 -7.4008 -7.3739 -7.3739 -7.0087 -7.0087 -6.9646 -6.9646 -6.9241 -6.9241 -6.8514 -6.8514 -6.8291 -6.8291 -6.8080 -6.8080 -0.3916 -0.3916 2.0195 2.0195 6.2992 6.2992 6.9450 6.9450 8.6970 8.6970 9.7474 9.7474 9.7937 9.7937 13.4511 13.4511 k = 0.4648 0.2684 0.3189 ( 7087 PWs) bands (ev): -39.0060 -39.0060 -38.9825 -38.9825 -7.4373 -7.4373 -7.4143 -7.4143 -7.4007 -7.4007 -7.3731 -7.3731 -7.0083 -7.0083 -6.9641 -6.9641 -6.9242 -6.9242 -6.8543 -6.8543 -6.8290 -6.8290 -6.8057 -6.8057 -0.3699 -0.3699 2.0246 2.0246 6.1416 6.1416 6.8731 6.8731 8.7088 8.7088 9.8655 9.8655 9.9514 9.9514 13.4887 13.4887 k = 0.4609 0.2661 0.3317 ( 7091 PWs) bands (ev): -39.0058 -39.0058 -38.9827 -38.9827 -7.4375 -7.4375 -7.4149 -7.4149 -7.4005 -7.4005 -7.3722 -7.3722 -7.0079 -7.0079 -6.9636 -6.9636 -6.9244 -6.9244 -6.8571 -6.8571 -6.8289 -6.8289 -6.8035 -6.8035 -0.3456 -0.3456 2.0296 2.0296 5.9853 5.9853 6.7996 6.7996 8.7119 8.7119 9.9906 9.9906 10.1181 10.1181 13.5189 13.5189 k = 0.4570 0.2639 0.3445 ( 7091 PWs) bands (ev): -39.0055 -39.0055 -38.9829 -38.9829 -7.4377 -7.4377 -7.4155 -7.4155 -7.4002 -7.4002 -7.3713 -7.3713 -7.0074 -7.0074 -6.9630 -6.9630 -6.9246 -6.9246 -6.8600 -6.8600 -6.8287 -6.8287 -6.8014 -6.8014 -0.3188 -0.3188 2.0345 2.0345 5.8314 5.8314 6.7254 6.7254 8.7086 8.7086 10.1220 10.1220 10.2905 10.2905 13.5338 13.5338 k = 0.4531 0.2616 0.3572 ( 7089 PWs) bands (ev): -39.0053 -39.0053 -38.9832 -38.9832 -7.4378 -7.4378 -7.4162 -7.4162 -7.3999 -7.3999 -7.3705 -7.3705 -7.0070 -7.0070 -6.9623 -6.9623 -6.9247 -6.9247 -6.8628 -6.8628 -6.8286 -6.8286 -6.7994 -6.7994 -0.2895 -0.2895 2.0390 2.0390 5.6804 5.6804 6.6510 6.6510 8.7006 8.7006 10.2591 10.2591 10.4660 10.4660 13.5237 13.5237 k = 0.4492 0.2594 0.3700 ( 7081 PWs) bands (ev): -39.0050 -39.0050 -38.9834 -38.9834 -7.4380 -7.4380 -7.4169 -7.4169 -7.3996 -7.3996 -7.3697 -7.3697 -7.0065 -7.0065 -6.9617 -6.9617 -6.9249 -6.9249 -6.8655 -6.8655 -6.8284 -6.8284 -6.7975 -6.7975 -0.2577 -0.2577 2.0428 2.0428 5.5330 5.5330 6.5769 6.5769 8.6893 8.6893 10.4012 10.4012 10.6424 10.6424 13.4826 13.4826 k = 0.4453 0.2571 0.3827 ( 7076 PWs) bands (ev): -39.0047 -39.0047 -38.9837 -38.9837 -7.4382 -7.4382 -7.4177 -7.4177 -7.3992 -7.3992 -7.3689 -7.3689 -7.0060 -7.0060 -6.9609 -6.9609 -6.9251 -6.9251 -6.8683 -6.8683 -6.8283 -6.8283 -6.7957 -6.7957 -0.2235 -0.2235 2.0456 2.0456 5.3899 5.3899 6.5037 6.5037 8.6756 8.6756 10.5481 10.5481 10.8179 10.8179 13.4128 13.4128 k = 0.4414 0.2548 0.3955 ( 7074 PWs) bands (ev): -39.0044 -39.0044 -38.9840 -38.9840 -7.4383 -7.4383 -7.4184 -7.4184 -7.3987 -7.3987 -7.3682 -7.3682 -7.0055 -7.0055 -6.9601 -6.9601 -6.9253 -6.9253 -6.8709 -6.8709 -6.8281 -6.8281 -6.7939 -6.7939 -0.1868 -0.1868 2.0469 2.0469 5.2517 5.2517 6.4315 6.4315 8.6600 8.6600 10.6992 10.6992 10.9901 10.9901 13.3234 13.3234 k = 0.4375 0.2526 0.4082 ( 7073 PWs) bands (ev): -39.0041 -39.0041 -38.9844 -38.9844 -7.4384 -7.4384 -7.4191 -7.4191 -7.3983 -7.3983 -7.3675 -7.3675 -7.0050 -7.0050 -6.9593 -6.9593 -6.9255 -6.9255 -6.8736 -6.8736 -6.8279 -6.8279 -6.7923 -6.7923 -0.1477 -0.1477 2.0465 2.0465 5.1189 5.1189 6.3607 6.3607 8.6432 8.6432 10.8545 10.8545 11.1565 11.1565 13.2251 13.2251 k = 0.4336 0.2503 0.4210 ( 7072 PWs) bands (ev): -39.0037 -39.0037 -38.9847 -38.9847 -7.4385 -7.4385 -7.4198 -7.4198 -7.3978 -7.3978 -7.3668 -7.3668 -7.0045 -7.0045 -6.9584 -6.9584 -6.9257 -6.9257 -6.8761 -6.8761 -6.8277 -6.8277 -6.7908 -6.7908 -0.1062 -0.1062 2.0438 2.0438 4.9922 4.9922 6.2916 6.2916 8.6255 8.6255 11.0135 11.0135 11.3135 11.3135 13.1273 13.1273 k = 0.4297 0.2481 0.4338 ( 7071 PWs) bands (ev): -39.0034 -39.0034 -38.9851 -38.9851 -7.4385 -7.4385 -7.4205 -7.4205 -7.3973 -7.3973 -7.3663 -7.3663 -7.0040 -7.0040 -6.9574 -6.9574 -6.9259 -6.9259 -6.8786 -6.8786 -6.8276 -6.8276 -6.7894 -6.7894 -0.0625 -0.0625 2.0383 2.0383 4.8723 4.8723 6.2243 6.2243 8.6073 8.6073 11.1760 11.1760 11.4557 11.4557 13.0391 13.0391 k = 0.4258 0.2458 0.4465 ( 7071 PWs) bands (ev): -39.0030 -39.0030 -38.9854 -38.9854 -7.4386 -7.4386 -7.4211 -7.4211 -7.3968 -7.3968 -7.3657 -7.3657 -7.0035 -7.0035 -6.9565 -6.9565 -6.9262 -6.9262 -6.8809 -6.8809 -6.8273 -6.8273 -6.7880 -6.7880 -0.0164 -0.0164 2.0295 2.0295 4.7598 4.7598 6.1589 6.1589 8.5889 8.5889 11.3419 11.3419 11.5757 11.5757 12.9702 12.9702 k = 0.4219 0.2436 0.4593 ( 7067 PWs) bands (ev): -39.0026 -39.0026 -38.9858 -38.9858 -7.4386 -7.4386 -7.4218 -7.4218 -7.3963 -7.3963 -7.3653 -7.3653 -7.0031 -7.0031 -6.9555 -6.9555 -6.9264 -6.9264 -6.8832 -6.8832 -6.8271 -6.8271 -6.7868 -6.7868 0.0318 0.0318 2.0169 2.0169 4.6555 4.6555 6.0957 6.0957 8.5704 8.5704 11.5106 11.5106 11.6636 11.6636 12.9319 12.9319 k = 0.4180 0.2413 0.4720 ( 7063 PWs) bands (ev): -39.0022 -39.0022 -38.9862 -38.9862 -7.4386 -7.4386 -7.4224 -7.4224 -7.3959 -7.3959 -7.3649 -7.3649 -7.0026 -7.0026 -6.9545 -6.9545 -6.9266 -6.9266 -6.8854 -6.8854 -6.8269 -6.8269 -6.7857 -6.7857 0.0820 0.0820 2.0000 2.0000 4.5600 4.5600 6.0347 6.0347 8.5521 8.5521 11.6769 11.6769 11.7151 11.7151 12.9345 12.9345 k = 0.4141 0.2391 0.4848 ( 7065 PWs) bands (ev): -39.0018 -39.0018 -38.9866 -38.9866 -7.4386 -7.4386 -7.4229 -7.4229 -7.3954 -7.3954 -7.3647 -7.3647 -7.0021 -7.0021 -6.9534 -6.9534 -6.9269 -6.9269 -6.8874 -6.8874 -6.8267 -6.8267 -6.7848 -6.7848 0.1342 0.1342 1.9783 1.9783 4.4739 4.4739 5.9761 5.9761 8.5343 8.5343 11.7061 11.7061 11.8613 11.8613 12.9820 12.9820 k = 0.4102 0.2368 0.4976 ( 7065 PWs) bands (ev): -39.0014 -39.0014 -38.9870 -38.9870 -7.4385 -7.4385 -7.4234 -7.4234 -7.3949 -7.3949 -7.3644 -7.3644 -7.0017 -7.0017 -6.9525 -6.9525 -6.9271 -6.9271 -6.8894 -6.8894 -6.8265 -6.8265 -6.7839 -6.7839 0.1882 0.1882 1.9515 1.9515 4.3977 4.3977 5.9199 5.9199 8.5169 8.5169 11.6672 11.6672 12.0386 12.0386 13.0688 13.0688 k = 0.4062 0.2345 0.5103 ( 7069 PWs) bands (ev): -39.0009 -39.0009 -38.9875 -38.9875 -7.4384 -7.4384 -7.4239 -7.4239 -7.3945 -7.3945 -7.3643 -7.3643 -7.0012 -7.0012 -6.9515 -6.9515 -6.9273 -6.9273 -6.8911 -6.8911 -6.8263 -6.8263 -6.7831 -6.7831 0.2437 0.2437 1.9196 1.9196 4.3320 4.3320 5.8661 5.8661 8.5002 8.5002 11.5984 11.5984 12.2191 12.2191 13.1847 13.1847 k = 0.4023 0.2323 0.5231 ( 7071 PWs) bands (ev): -39.0005 -39.0005 -38.9879 -38.9879 -7.4383 -7.4383 -7.4243 -7.4243 -7.3940 -7.3940 -7.3642 -7.3642 -7.0008 -7.0008 -6.9506 -6.9506 -6.9275 -6.9275 -6.8927 -6.8927 -6.8260 -6.8260 -6.7825 -6.7825 0.3003 0.3003 1.8825 1.8825 4.2768 4.2768 5.8150 5.8150 8.4843 8.4843 11.5101 11.5101 12.4022 12.4022 13.3193 13.3193 k = 0.3984 0.2300 0.5358 ( 7076 PWs) bands (ev): -39.0001 -39.0001 -38.9883 -38.9883 -7.4381 -7.4381 -7.4247 -7.4247 -7.3936 -7.3936 -7.3643 -7.3643 -7.0004 -7.0004 -6.9499 -6.9499 -6.9276 -6.9276 -6.8942 -6.8942 -6.8258 -6.8258 -6.7820 -6.7820 0.3578 0.3578 1.8406 1.8406 4.2324 4.2324 5.7664 5.7664 8.4694 8.4694 11.4098 11.4098 12.5875 12.5875 13.4650 13.4650 k = 0.3945 0.2278 0.5486 ( 7075 PWs) bands (ev): -38.9996 -38.9996 -38.9887 -38.9887 -7.4380 -7.4380 -7.4250 -7.4250 -7.3932 -7.3932 -7.3643 -7.3643 -7.0000 -7.0000 -6.9493 -6.9493 -6.9277 -6.9277 -6.8954 -6.8954 -6.8255 -6.8255 -6.7816 -6.7816 0.4154 0.4154 1.7948 1.7948 4.1985 4.1985 5.7206 5.7206 8.4554 8.4554 11.3022 11.3022 12.7745 12.7745 13.6162 13.6162 k = 0.3906 0.2255 0.5613 ( 7067 PWs) bands (ev): -38.9992 -38.9992 -38.9891 -38.9891 -7.4378 -7.4378 -7.4253 -7.4253 -7.3929 -7.3929 -7.3645 -7.3645 -6.9996 -6.9996 -6.9488 -6.9488 -6.9277 -6.9277 -6.8964 -6.8964 -6.8253 -6.8253 -6.7813 -6.7813 0.4724 0.4724 1.7461 1.7461 4.1748 4.1748 5.6774 5.6774 8.4425 8.4425 11.1905 11.1905 12.9625 12.9625 13.7678 13.7678 k = 0.3867 0.2233 0.5741 ( 7067 PWs) bands (ev): -38.9988 -38.9988 -38.9895 -38.9895 -7.4376 -7.4376 -7.4255 -7.4255 -7.3926 -7.3926 -7.3647 -7.3647 -6.9993 -6.9993 -6.9486 -6.9486 -6.9276 -6.9276 -6.8973 -6.8973 -6.8251 -6.8251 -6.7811 -6.7811 0.5274 0.5274 1.6963 1.6963 4.1610 4.1610 5.6370 5.6370 8.4309 8.4309 11.0767 11.0767 13.1500 13.1500 13.9083 13.9083 k = 0.3828 0.2210 0.5869 ( 7066 PWs) bands (ev): -38.9985 -38.9985 -38.9899 -38.9899 -7.4373 -7.4373 -7.4257 -7.4257 -7.3923 -7.3923 -7.3650 -7.3650 -6.9989 -6.9989 -6.9486 -6.9486 -6.9274 -6.9274 -6.8978 -6.8978 -6.8248 -6.8248 -6.7810 -6.7810 0.5788 0.5788 1.6476 1.6476 4.1563 4.1563 5.5995 5.5995 8.4205 8.4205 10.9621 10.9621 13.3333 13.3333 13.9197 13.9197 k = 0.3789 0.2188 0.5996 ( 7064 PWs) bands (ev): -38.9982 -38.9982 -38.9902 -38.9902 -7.4371 -7.4371 -7.4258 -7.4258 -7.3921 -7.3921 -7.3653 -7.3653 -6.9985 -6.9985 -6.9488 -6.9488 -6.9271 -6.9271 -6.8982 -6.8982 -6.8246 -6.8246 -6.7811 -6.7811 0.6241 0.6241 1.6031 1.6031 4.1603 4.1603 5.5647 5.5647 8.4114 8.4114 10.8477 10.8477 13.5016 13.5016 13.9117 13.9117 k = 0.3750 0.2165 0.6124 ( 7070 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4369 -7.4369 -7.4259 -7.4259 -7.3919 -7.3919 -7.3656 -7.3656 -6.9982 -6.9982 -6.9493 -6.9493 -6.9268 -6.9268 -6.8983 -6.8983 -6.8244 -6.8244 -6.7812 -6.7812 0.6600 0.6600 1.5669 1.5669 4.1721 4.1721 5.5328 5.5328 8.4037 8.4037 10.7342 10.7342 13.6236 13.6236 13.9531 13.9531 k = 0.6250-0.0722 0.4082 ( 7070 PWs) bands (ev): -38.9979 -38.9979 -38.9905 -38.9905 -7.4369 -7.4369 -7.4259 -7.4259 -7.3919 -7.3919 -7.3656 -7.3656 -6.9982 -6.9982 -6.9493 -6.9493 -6.9268 -6.9268 -6.8983 -6.8983 -6.8244 -6.8244 -6.7812 -6.7812 0.6600 0.6600 1.5669 1.5669 4.1721 4.1721 5.5328 5.5328 8.4037 8.4037 10.7342 10.7342 13.6236 13.6236 13.9531 13.9531 k = 0.6181-0.0842 0.4082 ( 7050 PWs) bands (ev): -38.9975 -38.9975 -38.9908 -38.9908 -7.4364 -7.4364 -7.4260 -7.4260 -7.3916 -7.3916 -7.3664 -7.3664 -6.9975 -6.9975 -6.9504 -6.9504 -6.9260 -6.9260 -6.8982 -6.8982 -6.8239 -6.8239 -6.7817 -6.7817 0.7114 0.7114 1.5139 1.5139 4.2031 4.2031 5.4801 5.4801 8.3917 8.3917 10.5340 10.5340 13.7724 13.7724 14.0996 14.0996 k = 0.6111-0.0962 0.4082 ( 7058 PWs) bands (ev): -38.9971 -38.9971 -38.9912 -38.9912 -7.4359 -7.4359 -7.4261 -7.4261 -7.3913 -7.3913 -7.3672 -7.3672 -6.9968 -6.9968 -6.9519 -6.9519 -6.9249 -6.9249 -6.8982 -6.8982 -6.8234 -6.8234 -6.7822 -6.7822 0.7590 0.7590 1.4640 1.4640 4.2404 4.2404 5.4302 5.4302 8.3804 8.3804 10.3358 10.3358 13.9223 13.9223 14.2475 14.2475 k = 0.6042-0.1083 0.4082 ( 7056 PWs) bands (ev): -38.9968 -38.9968 -38.9916 -38.9916 -7.4353 -7.4353 -7.4262 -7.4262 -7.3910 -7.3910 -7.3680 -7.3680 -6.9960 -6.9960 -6.9535 -6.9535 -6.9237 -6.9237 -6.8981 -6.8981 -6.8228 -6.8228 -6.7829 -6.7829 0.8029 0.8029 1.4171 1.4171 4.2837 4.2837 5.3832 5.3832 8.3699 8.3699 10.1407 10.1407 14.0729 14.0729 14.3964 14.3964 k = 0.5972-0.1203 0.4082 ( 7056 PWs) bands (ev): -38.9965 -38.9965 -38.9919 -38.9919 -7.4347 -7.4347 -7.4262 -7.4262 -7.3907 -7.3907 -7.3690 -7.3690 -6.9952 -6.9952 -6.9552 -6.9552 -6.9223 -6.9223 -6.8981 -6.8981 -6.8221 -6.8221 -6.7837 -6.7837 0.8430 0.8430 1.3733 1.3733 4.3326 4.3326 5.3392 5.3392 8.3601 8.3601 9.9494 9.9494 14.2238 14.2238 14.5458 14.5458 k = 0.5903-0.1323 0.4082 ( 7068 PWs) bands (ev): -38.9962 -38.9962 -38.9922 -38.9922 -7.4340 -7.4340 -7.4263 -7.4263 -7.3904 -7.3904 -7.3700 -7.3700 -6.9943 -6.9943 -6.9569 -6.9569 -6.9209 -6.9209 -6.8982 -6.8982 -6.8213 -6.8213 -6.7846 -6.7846 0.8794 0.8794 1.3325 1.3325 4.3866 4.3866 5.2981 5.2981 8.3509 8.3509 9.7629 9.7629 14.3747 14.3747 14.6947 14.6947 k = 0.5833-0.1443 0.4082 ( 7072 PWs) bands (ev): -38.9959 -38.9959 -38.9925 -38.9925 -7.4333 -7.4333 -7.4263 -7.4263 -7.3901 -7.3901 -7.3711 -7.3711 -6.9934 -6.9934 -6.9588 -6.9588 -6.9194 -6.9194 -6.8982 -6.8982 -6.8204 -6.8204 -6.7856 -6.7856 0.9121 0.9121 1.2947 1.2947 4.4451 4.4451 5.2600 5.2600 8.3425 8.3425 9.5819 9.5819 14.5249 14.5249 14.8414 14.8414 k = 0.5764-0.1564 0.4082 ( 7068 PWs) bands (ev): -38.9956 -38.9956 -38.9927 -38.9927 -7.4326 -7.4326 -7.4264 -7.4264 -7.3898 -7.3898 -7.3722 -7.3722 -6.9924 -6.9924 -6.9606 -6.9606 -6.9180 -6.9180 -6.8984 -6.8984 -6.8194 -6.8194 -6.7868 -6.7868 0.9413 0.9413 1.2600 1.2600 4.5071 4.5071 5.2248 5.2248 8.3348 8.3348 9.4075 9.4075 14.6738 14.6738 14.9827 14.9827 k = 0.5694-0.1684 0.4082 ( 7064 PWs) bands (ev): -38.9954 -38.9954 -38.9930 -38.9930 -7.4319 -7.4319 -7.4264 -7.4264 -7.3895 -7.3895 -7.3734 -7.3734 -6.9914 -6.9914 -6.9624 -6.9624 -6.9165 -6.9165 -6.8986 -6.8986 -6.8183 -6.8183 -6.7880 -6.7880 0.9672 0.9672 1.2284 1.2284 4.5717 4.5717 5.1927 5.1927 8.3278 8.3278 9.2406 9.2406 14.8204 14.8204 15.1126 15.1126 k = 0.5625-0.1804 0.4082 ( 7066 PWs) bands (ev): -38.9951 -38.9951 -38.9932 -38.9932 -7.4312 -7.4312 -7.4264 -7.4264 -7.3892 -7.3892 -7.3746 -7.3746 -6.9903 -6.9903 -6.9642 -6.9642 -6.9151 -6.9151 -6.8988 -6.8988 -6.8172 -6.8172 -6.7893 -6.7893 0.9899 0.9899 1.1997 1.1997 4.6379 4.6379 5.1635 5.1635 8.3215 8.3215 9.0824 9.0824 14.9638 14.9638 15.2279 15.2279 k = 0.5556-0.1925 0.4082 ( 7062 PWs) bands (ev): -38.9949 -38.9949 -38.9934 -38.9934 -7.4305 -7.4305 -7.4265 -7.4265 -7.3888 -7.3888 -7.3758 -7.3758 -6.9892 -6.9892 -6.9660 -6.9660 -6.9136 -6.9136 -6.8992 -6.8992 -6.8159 -6.8159 -6.7907 -6.7907 1.0095 1.0095 1.1741 1.1741 4.7042 4.7042 5.1374 5.1374 8.3159 8.3159 8.9341 8.9341 15.1025 15.1025 15.3312 15.3312 k = 0.5486-0.2045 0.4082 ( 7066 PWs) bands (ev): -38.9948 -38.9948 -38.9936 -38.9936 -7.4298 -7.4298 -7.4265 -7.4265 -7.3884 -7.3884 -7.3770 -7.3770 -6.9881 -6.9881 -6.9677 -6.9677 -6.9123 -6.9123 -6.8995 -6.8995 -6.8146 -6.8146 -6.7922 -6.7922 1.0263 1.0263 1.1515 1.1515 4.7692 4.7692 5.1144 5.1144 8.3109 8.3109 8.7970 8.7970 15.2349 15.2349 15.4250 15.4250 k = 0.5417-0.2165 0.4082 ( 7062 PWs) bands (ev): -38.9946 -38.9946 -38.9937 -38.9937 -7.4292 -7.4292 -7.4265 -7.4265 -7.3880 -7.3880 -7.3781 -7.3781 -6.9869 -6.9869 -6.9695 -6.9695 -6.9110 -6.9110 -6.9000 -6.9000 -6.8132 -6.8132 -6.7937 -6.7937 1.0405 1.0405 1.1319 1.1319 4.8312 4.8312 5.0944 5.0944 8.3067 8.3067 8.6728 8.6728 15.3589 15.3589 15.5098 15.5098 k = 0.5347-0.2285 0.4082 ( 7066 PWs) bands (ev): -38.9945 -38.9945 -38.9939 -38.9939 -7.4286 -7.4286 -7.4265 -7.4265 -7.3875 -7.3875 -7.3793 -7.3793 -6.9857 -6.9857 -6.9711 -6.9711 -6.9097 -6.9097 -6.9005 -6.9005 -6.8117 -6.8117 -6.7953 -6.7953 1.0522 1.0522 1.1154 1.1154 4.8884 4.8884 5.0774 5.0774 8.3031 8.3031 8.5632 8.5632 15.4720 15.4720 15.5848 15.5848 k = 0.5278-0.2406 0.4082 ( 7068 PWs) bands (ev): -38.9944 -38.9944 -38.9940 -38.9940 -7.4281 -7.4281 -7.4265 -7.4265 -7.3870 -7.3870 -7.3804 -7.3804 -6.9844 -6.9844 -6.9728 -6.9728 -6.9085 -6.9085 -6.9011 -6.9011 -6.8102 -6.8102 -6.7969 -6.7969 1.0615 1.0615 1.1018 1.1018 4.9389 4.9389 5.0635 5.0635 8.3001 8.3001 8.4700 8.4700 15.5712 15.5712 15.6488 15.6488 k = 0.5208-0.2526 0.4082 ( 7076 PWs) bands (ev): -38.9943 -38.9943 -38.9941 -38.9941 -7.4277 -7.4277 -7.4266 -7.4266 -7.3864 -7.3864 -7.3815 -7.3815 -6.9831 -6.9831 -6.9744 -6.9744 -6.9073 -6.9073 -6.9018 -6.9018 -6.8086 -6.8086 -6.7985 -6.7985 1.0686 1.0686 1.0913 1.0913 4.9807 4.9807 5.0527 5.0527 8.2978 8.2978 8.3951 8.3951 15.6534 15.6534 15.7005 15.7005 k = 0.5139-0.2646 0.4082 ( 7080 PWs) bands (ev): -38.9942 -38.9942 -38.9941 -38.9941 -7.4273 -7.4273 -7.4266 -7.4266 -7.3858 -7.3858 -7.3825 -7.3825 -6.9817 -6.9817 -6.9759 -6.9759 -6.9062 -6.9062 -6.9026 -6.9026 -6.8069 -6.8069 -6.8002 -6.8002 1.0736 1.0736 1.0838 1.0838 5.0121 5.0121 5.0450 5.0450 8.2962 8.2962 8.3401 8.3401 15.7153 15.7153 15.7385 15.7385 k = 0.5069-0.2766 0.4082 ( 7076 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4270 -7.4270 -7.4267 -7.4267 -7.3851 -7.3851 -7.3834 -7.3834 -6.9803 -6.9803 -6.9774 -6.9774 -6.9052 -6.9052 -6.9034 -6.9034 -6.8053 -6.8053 -6.8019 -6.8019 1.0766 1.0766 1.0792 1.0792 5.0316 5.0316 5.0404 5.0404 8.2952 8.2952 8.3064 8.3064 15.7539 15.7539 15.7616 15.7616 k = 0.5000-0.2887 0.4082 ( 7078 PWs) bands (ev): -38.9942 -38.9942 -38.9942 -38.9942 -7.4269 -7.4269 -7.4269 -7.4269 -7.3843 -7.3843 -7.3843 -7.3843 -6.9789 -6.9789 -6.9789 -6.9789 -6.9043 -6.9043 -6.9043 -6.9043 -6.8036 -6.8036 -6.8036 -6.8036 1.0777 1.0777 1.0777 1.0777 5.0385 5.0385 5.0385 5.0385 8.2950 8.2950 8.2950 8.2950 15.7682 15.7682 15.7682 15.7682 Writing output data file LiGa.save init_run : 0.37s CPU 0.48s WALL ( 1 calls) electrons : 124.69s CPU 126.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 124.68s CPU 126.49s 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 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.06s WALL ( 339 calls) cegterg : 107.26s CPU 108.47s WALL ( 370 calls) Called by sum_band: Called by *egterg: h_psi : 82.96s CPU 83.80s WALL ( 5453 calls) s_psi : 3.20s CPU 3.26s WALL ( 5453 calls) g_psi : 0.21s CPU 0.23s WALL ( 4744 calls) cdiaghg : 23.56s CPU 24.03s WALL ( 5083 calls) cegterg:over : 3.91s CPU 3.92s WALL ( 4744 calls) cegterg:upda : 3.86s CPU 3.95s WALL ( 4744 calls) cegterg:last : 2.22s CPU 2.21s WALL ( 997 calls) cdiaghg:chol : 1.39s CPU 1.40s WALL ( 5083 calls) cdiaghg:inve : 0.64s CPU 0.70s WALL ( 5083 calls) cdiaghg:para : 1.37s CPU 1.44s WALL ( 10166 calls) Called by h_psi: h_psi:vloc : 77.02s CPU 77.82s WALL ( 5453 calls) h_psi:vnl : 5.74s CPU 5.78s WALL ( 5453 calls) add_vuspsi : 2.88s CPU 2.92s WALL ( 5453 calls) General routines calbec : 2.84s CPU 2.85s WALL ( 5453 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 73.27s CPU 74.09s WALL ( 484612 calls) davcio : 0.19s CPU 0.24s WALL ( 678 calls) Parallel routines fft_scatter : 23.92s CPU 24.14s WALL ( 484627 calls) PWSCF : 2m22.23s CPU 2m38.08s WALL This run was terminated on: 18:43:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=