Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:36:59 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: ./LiZn.save/ file Zn.rel-pbe-dn-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 1601 1601 238 Max 56 56 16 1605 1605 241 Sum 1969 1969 559 57655 57655 8609 bravais-lattice index = 14 lattice parameter (alat) = 8.3301 a.u. unit-cell volume = 408.7304 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 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)= 8.330108 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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) Zn 12.00 65.40900 Zn( 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 =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5773503 ) ( 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 =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 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 =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5773503 ) ( 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 =( 0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 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= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029674 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029674 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029674 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029674 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029674 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029674 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029674 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029674 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029674 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029674 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029674 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029674 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029674 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029674 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029674 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029674 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029674 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029674 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029674 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029674 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029674 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029674 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029674 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029674 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029674 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029674 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029674 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029674 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029674 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029674 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029674 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029674 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029674 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029674 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029674 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029674 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029674 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029674 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029674 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029674 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029674 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029674 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029674 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029674 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029674 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029674 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029674 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029674 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029674 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029674 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029674 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029674 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029674 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029674 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029674 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029674 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029674 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029674 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029674 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029674 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029674 k( 79) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 80) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029674 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029674 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029674 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029674 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029674 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029674 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029674 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029674 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029674 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029674 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029674 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029674 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029674 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029674 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029674 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029674 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029674 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029674 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029674 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029674 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029674 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029674 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029674 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029674 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029674 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029674 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029674 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029674 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029674 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029674 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029674 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029674 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029674 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029674 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029674 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029674 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029674 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029674 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029674 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029674 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029674 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029674 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029674 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029674 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029674 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029674 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029674 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029674 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029674 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029674 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029674 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029674 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029674 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029674 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029674 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029674 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029674 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029674 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029674 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029674 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029674 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029674 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029674 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029674 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029674 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029674 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029674 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029674 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029674 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029674 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029674 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029674 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029674 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029674 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029674 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029674 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029674 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029674 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029674 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029674 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029674 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029674 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029674 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029674 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029674 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029674 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029674 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029674 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029674 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029674 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029674 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029674 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029674 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029674 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029674 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029674 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029674 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029674 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029674 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029674 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029674 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029674 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029674 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029674 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029674 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029674 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029674 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029674 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029674 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029674 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029674 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029674 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 200) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029674 k( 201) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029674 k( 202) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029674 k( 203) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029674 k( 204) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029674 k( 205) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029674 k( 206) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029674 k( 207) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029674 k( 208) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029674 k( 209) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029674 k( 210) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029674 k( 211) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029674 k( 212) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029674 k( 213) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029674 k( 214) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029674 k( 215) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029674 k( 216) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029674 k( 217) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029674 k( 218) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029674 k( 219) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029674 k( 220) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029674 k( 221) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029674 k( 222) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029674 k( 223) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029674 k( 224) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029674 k( 225) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029674 k( 226) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029674 k( 227) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029674 k( 228) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029674 k( 229) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029674 k( 230) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 232) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029674 k( 233) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029674 k( 234) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029674 k( 235) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029674 k( 236) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029674 k( 237) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029674 k( 238) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029674 k( 239) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029674 k( 240) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029674 k( 241) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029674 k( 242) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029674 k( 243) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029674 k( 244) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029674 k( 245) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029674 k( 246) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029674 k( 247) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029674 k( 248) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029674 k( 249) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 250) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 251) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029674 k( 252) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029674 k( 253) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029674 k( 254) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029674 k( 255) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029674 k( 256) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029674 k( 257) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029674 k( 258) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029674 k( 259) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029674 k( 260) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029674 k( 261) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029674 k( 262) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029674 k( 263) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029674 k( 264) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029674 k( 265) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029674 k( 266) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029674 k( 267) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029674 k( 268) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029674 k( 269) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029674 k( 270) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029674 k( 271) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029674 k( 272) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029674 k( 273) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029674 k( 274) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029674 k( 275) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029674 k( 276) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029674 k( 277) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029674 k( 278) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029674 k( 279) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029674 k( 280) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029674 k( 281) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029674 k( 282) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029674 k( 283) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029674 k( 284) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029674 k( 285) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029674 k( 286) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 288) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029674 k( 289) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029674 k( 290) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029674 k( 291) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029674 k( 292) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029674 k( 293) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029674 k( 294) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029674 k( 295) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029674 k( 296) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029674 k( 297) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029674 k( 298) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029674 k( 299) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029674 k( 300) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029674 k( 301) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029674 k( 302) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029674 k( 303) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029674 k( 304) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029674 k( 305) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029674 k( 306) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029674 k( 307) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029674 k( 308) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029674 k( 309) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029674 k( 310) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029674 k( 311) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029674 k( 312) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029674 k( 313) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029674 k( 314) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029674 k( 315) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029674 k( 316) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029674 k( 317) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029674 k( 318) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 319) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 320) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029674 k( 321) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029674 k( 322) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029674 k( 323) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029674 k( 324) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029674 k( 325) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029674 k( 326) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029674 k( 327) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029674 k( 328) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029674 k( 329) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029674 k( 330) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029674 k( 331) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029674 k( 332) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029674 k( 333) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029674 k( 334) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029674 k( 335) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029674 k( 336) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029674 k( 337) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029674 k( 4) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0000000 0.0686275), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029674 k( 12) = ( 0.1078431 0.0000000 0.1078431), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0000000 0.1274510), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0000000 0.1372549), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0000000 0.1568627), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029674 k( 19) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0029674 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029674 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029674 k( 22) = ( 0.2058823 0.0000000 0.2058823), wk = 0.0029674 k( 23) = ( 0.2156863 0.0000000 0.2156863), wk = 0.0029674 k( 24) = ( 0.2254902 -0.0000000 0.2254902), wk = 0.0029674 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0029674 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029674 k( 27) = ( 0.2549020 -0.0000000 0.2549020), wk = 0.0029674 k( 28) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0029674 k( 29) = ( 0.2745098 -0.0000000 0.2745098), wk = 0.0029674 k( 30) = ( 0.2843137 -0.0000000 0.2843137), wk = 0.0029674 k( 31) = ( 0.2941177 -0.0000000 0.2941177), wk = 0.0029674 k( 32) = ( 0.3039216 -0.0000000 0.3039216), wk = 0.0029674 k( 33) = ( 0.3137255 -0.0000000 0.3137255), wk = 0.0029674 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029674 k( 35) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0029674 k( 36) = ( 0.3431373 -0.0000000 0.3431373), wk = 0.0029674 k( 37) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0029674 k( 38) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0029674 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029674 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0029674 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0029674 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0029674 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0029674 k( 44) = ( 0.4215686 0.0000000 0.4215686), wk = 0.0029674 k( 45) = ( 0.4313726 -0.0000000 0.4313725), wk = 0.0029674 k( 46) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0029674 k( 47) = ( 0.4509804 0.0000000 0.4509804), wk = 0.0029674 k( 48) = ( 0.4607843 0.0000000 0.4607843), wk = 0.0029674 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0029674 k( 50) = ( 0.4803922 0.0000000 0.4803922), wk = 0.0029674 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0029674 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029674 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029674 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0029674 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029674 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029674 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029674 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029674 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029674 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029674 k( 63) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0029674 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029674 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029674 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029674 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029674 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029674 k( 69) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0029674 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029674 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029674 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029674 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029674 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029674 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029674 k( 76) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0029674 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029674 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029674 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029674 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029674 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029674 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029674 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029674 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029674 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029674 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029674 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029674 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029674 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029674 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029674 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029674 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029674 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029674 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029674 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029674 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029674 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029674 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029674 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029674 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029674 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029674 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029674 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029674 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029674 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029674 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029674 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029674 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029674 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029674 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029674 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029674 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029674 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029674 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029674 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029674 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029674 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029674 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029674 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029674 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029674 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029674 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029674 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029674 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029674 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029674 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029674 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029674 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029674 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029674 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029674 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029674 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029674 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029674 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029674 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029674 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029674 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029674 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029674 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029674 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029674 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029674 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029674 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029674 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029674 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029674 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029674 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029674 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029674 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029674 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029674 k( 158) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029674 k( 159) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029674 k( 160) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029674 k( 161) = ( 0.0795455 0.0795455 0.0795454), wk = 0.0029674 k( 162) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029674 k( 163) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029674 k( 164) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029674 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029674 k( 166) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029674 k( 167) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029674 k( 168) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029674 k( 169) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0029674 k( 170) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029674 k( 171) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029674 k( 172) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029674 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029674 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029674 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029674 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029674 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029674 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029674 k( 180) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029674 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029674 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029674 k( 183) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029674 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029674 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029674 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029674 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029674 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029674 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029674 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029674 k( 191) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029674 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029674 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029674 k( 194) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0029674 k( 195) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029674 k( 196) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029674 k( 197) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029674 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 200) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029674 k( 201) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029674 k( 202) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0029674 k( 203) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029674 k( 204) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029674 k( 205) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029674 k( 206) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029674 k( 207) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029674 k( 208) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029674 k( 209) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029674 k( 210) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029674 k( 211) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029674 k( 212) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029674 k( 213) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029674 k( 214) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029674 k( 215) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029674 k( 216) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029674 k( 217) = ( 0.5725807 0.3548387 0.5725806), wk = 0.0029674 k( 218) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0029674 k( 219) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0029674 k( 220) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0029674 k( 221) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0029674 k( 222) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029674 k( 223) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029674 k( 224) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029674 k( 225) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029674 k( 226) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029674 k( 227) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0029674 k( 228) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029674 k( 229) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029674 k( 230) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 232) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029674 k( 233) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029674 k( 234) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029674 k( 235) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029674 k( 236) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029674 k( 237) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029674 k( 238) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029674 k( 239) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029674 k( 240) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029674 k( 241) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029674 k( 242) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029674 k( 243) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029674 k( 244) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029674 k( 245) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029674 k( 246) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029674 k( 247) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029674 k( 248) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029674 k( 249) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 251) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029674 k( 252) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029674 k( 253) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029674 k( 254) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029674 k( 255) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029674 k( 256) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029674 k( 257) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029674 k( 258) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029674 k( 259) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029674 k( 260) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029674 k( 261) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029674 k( 262) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029674 k( 263) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029674 k( 264) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029674 k( 265) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029674 k( 266) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029674 k( 267) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029674 k( 268) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029674 k( 269) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029674 k( 270) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029674 k( 271) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029674 k( 272) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029674 k( 273) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029674 k( 274) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029674 k( 275) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029674 k( 276) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029674 k( 277) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029674 k( 278) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029674 k( 279) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029674 k( 280) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029674 k( 281) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029674 k( 282) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029674 k( 283) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029674 k( 284) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029674 k( 285) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029674 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 288) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029674 k( 289) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029674 k( 290) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0029674 k( 291) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029674 k( 292) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029674 k( 293) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029674 k( 294) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029674 k( 295) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029674 k( 296) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0029674 k( 297) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029674 k( 298) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029674 k( 299) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029674 k( 300) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029674 k( 301) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029674 k( 302) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029674 k( 303) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029674 k( 304) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029674 k( 305) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029674 k( 306) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029674 k( 307) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029674 k( 308) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029674 k( 309) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029674 k( 310) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029674 k( 311) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029674 k( 312) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0029674 k( 313) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0029674 k( 314) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0029674 k( 315) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0029674 k( 316) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0029674 k( 317) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0029674 k( 318) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 319) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 320) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029674 k( 321) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029674 k( 322) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029674 k( 323) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029674 k( 324) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029674 k( 325) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029674 k( 326) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029674 k( 327) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029674 k( 328) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029674 k( 329) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029674 k( 330) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029674 k( 331) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029674 k( 332) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029674 k( 333) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029674 k( 334) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029674 k( 335) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029674 k( 336) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029674 k( 337) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 Dense grid: 57655 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 406, 38) NL pseudopotentials 0.30 Mb ( 203, 96) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1602) G-vector shells 0.00 Mb ( 441) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 406, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiZn.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 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 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 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.9 secs Computing kpt #: 16 total cpu time spent up to now is 8.4 secs Computing kpt #: 17 total cpu time spent up to now is 8.9 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 10.0 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.5 secs Computing kpt #: 23 total cpu time spent up to now is 12.0 secs Computing kpt #: 24 total cpu time spent up to now is 12.5 secs Computing kpt #: 25 total cpu time spent up to now is 13.0 secs Computing kpt #: 26 total cpu time spent up to now is 13.5 secs Computing kpt #: 27 total cpu time spent up to now is 13.9 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.8 secs Computing kpt #: 30 total cpu time spent up to now is 15.3 secs Computing kpt #: 31 total cpu time spent up to now is 15.8 secs Computing kpt #: 32 total cpu time spent up to now is 16.2 secs Computing kpt #: 33 total cpu time spent up to now is 16.7 secs Computing kpt #: 34 total cpu time spent up to now is 17.1 secs Computing kpt #: 35 total cpu time spent up to now is 17.6 secs Computing kpt #: 36 total cpu time spent up to now is 18.0 secs Computing kpt #: 37 total cpu time spent up to now is 18.5 secs Computing kpt #: 38 total cpu time spent up to now is 18.9 secs Computing kpt #: 39 total cpu time spent up to now is 19.4 secs Computing kpt #: 40 total cpu time spent up to now is 19.8 secs Computing kpt #: 41 total cpu time spent up to now is 20.3 secs Computing kpt #: 42 total cpu time spent up to now is 20.7 secs Computing kpt #: 43 total cpu time spent up to now is 21.2 secs Computing kpt #: 44 total cpu time spent up to now is 21.6 secs Computing kpt #: 45 total cpu time spent up to now is 22.1 secs Computing kpt #: 46 total cpu time spent up to now is 22.5 secs Computing kpt #: 47 total cpu time spent up to now is 23.0 secs Computing kpt #: 48 total cpu time spent up to now is 23.5 secs Computing kpt #: 49 total cpu time spent up to now is 24.0 secs Computing kpt #: 50 total cpu time spent up to now is 24.5 secs Computing kpt #: 51 total cpu time spent up to now is 25.2 secs Computing kpt #: 52 total cpu time spent up to now is 25.7 secs Computing kpt #: 53 total cpu time spent up to now is 26.2 secs Computing kpt #: 54 total cpu time spent up to now is 26.9 secs Computing kpt #: 55 total cpu time spent up to now is 27.6 secs Computing kpt #: 56 total cpu time spent up to now is 28.2 secs Computing kpt #: 57 total cpu time spent up to now is 28.9 secs Computing kpt #: 58 total cpu time spent up to now is 29.7 secs Computing kpt #: 59 total cpu time spent up to now is 30.4 secs Computing kpt #: 60 total cpu time spent up to now is 31.1 secs Computing kpt #: 61 total cpu time spent up to now is 31.7 secs Computing kpt #: 62 total cpu time spent up to now is 32.5 secs Computing kpt #: 63 total cpu time spent up to now is 33.0 secs Computing kpt #: 64 total cpu time spent up to now is 33.5 secs Computing kpt #: 65 total cpu time spent up to now is 34.0 secs Computing kpt #: 66 total cpu time spent up to now is 34.5 secs Computing kpt #: 67 total cpu time spent up to now is 35.0 secs Computing kpt #: 68 total cpu time spent up to now is 35.4 secs Computing kpt #: 69 total cpu time spent up to now is 35.9 secs Computing kpt #: 70 total cpu time spent up to now is 36.4 secs Computing kpt #: 71 total cpu time spent up to now is 36.9 secs Computing kpt #: 72 total cpu time spent up to now is 37.3 secs Computing kpt #: 73 total cpu time spent up to now is 37.7 secs Computing kpt #: 74 total cpu time spent up to now is 38.1 secs Computing kpt #: 75 total cpu time spent up to now is 38.5 secs Computing kpt #: 76 total cpu time spent up to now is 38.9 secs Computing kpt #: 77 total cpu time spent up to now is 39.3 secs Computing kpt #: 78 total cpu time spent up to now is 39.7 secs Computing kpt #: 79 total cpu time spent up to now is 40.1 secs Computing kpt #: 80 total cpu time spent up to now is 40.5 secs Computing kpt #: 81 total cpu time spent up to now is 40.9 secs Computing kpt #: 82 total cpu time spent up to now is 41.3 secs Computing kpt #: 83 total cpu time spent up to now is 41.7 secs Computing kpt #: 84 total cpu time spent up to now is 42.1 secs Computing kpt #: 85 total cpu time spent up to now is 42.5 secs Computing kpt #: 86 total cpu time spent up to now is 42.9 secs Computing kpt #: 87 total cpu time spent up to now is 43.4 secs Computing kpt #: 88 total cpu time spent up to now is 43.8 secs Computing kpt #: 89 total cpu time spent up to now is 44.3 secs Computing kpt #: 90 total cpu time spent up to now is 44.8 secs Computing kpt #: 91 total cpu time spent up to now is 45.3 secs Computing kpt #: 92 total cpu time spent up to now is 45.8 secs Computing kpt #: 93 total cpu time spent up to now is 46.3 secs Computing kpt #: 94 total cpu time spent up to now is 46.7 secs Computing kpt #: 95 total cpu time spent up to now is 47.2 secs Computing kpt #: 96 total cpu time spent up to now is 47.7 secs Computing kpt #: 97 total cpu time spent up to now is 48.2 secs Computing kpt #: 98 total cpu time spent up to now is 48.6 secs Computing kpt #: 99 total cpu time spent up to now is 49.1 secs Computing kpt #: 100 total cpu time spent up to now is 49.6 secs Computing kpt #: 101 total cpu time spent up to now is 50.1 secs Computing kpt #: 102 total cpu time spent up to now is 50.5 secs Computing kpt #: 103 total cpu time spent up to now is 51.0 secs Computing kpt #: 104 total cpu time spent up to now is 51.4 secs Computing kpt #: 105 total cpu time spent up to now is 51.8 secs Computing kpt #: 106 total cpu time spent up to now is 52.2 secs Computing kpt #: 107 total cpu time spent up to now is 52.6 secs Computing kpt #: 108 total cpu time spent up to now is 53.0 secs Computing kpt #: 109 total cpu time spent up to now is 53.4 secs Computing kpt #: 110 total cpu time spent up to now is 53.8 secs Computing kpt #: 111 total cpu time spent up to now is 54.2 secs Computing kpt #: 112 total cpu time spent up to now is 54.6 secs Computing kpt #: 113 total cpu time spent up to now is 55.0 secs Computing kpt #: 114 total cpu time spent up to now is 55.3 secs Computing kpt #: 115 total cpu time spent up to now is 55.7 secs Computing kpt #: 116 total cpu time spent up to now is 56.1 secs Computing kpt #: 117 total cpu time spent up to now is 56.5 secs Computing kpt #: 118 total cpu time spent up to now is 56.8 secs Computing kpt #: 119 total cpu time spent up to now is 57.2 secs Computing kpt #: 120 total cpu time spent up to now is 57.6 secs Computing kpt #: 121 total cpu time spent up to now is 58.0 secs Computing kpt #: 122 total cpu time spent up to now is 58.4 secs Computing kpt #: 123 total cpu time spent up to now is 58.7 secs Computing kpt #: 124 total cpu time spent up to now is 59.1 secs Computing kpt #: 125 total cpu time spent up to now is 59.5 secs Computing kpt #: 126 total cpu time spent up to now is 59.9 secs Computing kpt #: 127 total cpu time spent up to now is 60.3 secs Computing kpt #: 128 total cpu time spent up to now is 60.7 secs Computing kpt #: 129 total cpu time spent up to now is 61.1 secs Computing kpt #: 130 total cpu time spent up to now is 61.5 secs Computing kpt #: 131 total cpu time spent up to now is 61.9 secs Computing kpt #: 132 total cpu time spent up to now is 62.4 secs Computing kpt #: 133 total cpu time spent up to now is 62.8 secs Computing kpt #: 134 total cpu time spent up to now is 63.3 secs Computing kpt #: 135 total cpu time spent up to now is 63.7 secs Computing kpt #: 136 total cpu time spent up to now is 64.2 secs Computing kpt #: 137 total cpu time spent up to now is 64.6 secs Computing kpt #: 138 total cpu time spent up to now is 65.1 secs Computing kpt #: 139 total cpu time spent up to now is 65.5 secs Computing kpt #: 140 total cpu time spent up to now is 65.9 secs Computing kpt #: 141 total cpu time spent up to now is 66.4 secs Computing kpt #: 142 total cpu time spent up to now is 66.8 secs Computing kpt #: 143 total cpu time spent up to now is 67.2 secs Computing kpt #: 144 total cpu time spent up to now is 67.6 secs Computing kpt #: 145 total cpu time spent up to now is 68.0 secs Computing kpt #: 146 total cpu time spent up to now is 68.4 secs Computing kpt #: 147 total cpu time spent up to now is 68.8 secs Computing kpt #: 148 total cpu time spent up to now is 69.2 secs Computing kpt #: 149 total cpu time spent up to now is 69.6 secs Computing kpt #: 150 total cpu time spent up to now is 70.0 secs Computing kpt #: 151 total cpu time spent up to now is 70.5 secs Computing kpt #: 152 total cpu time spent up to now is 70.9 secs Computing kpt #: 153 total cpu time spent up to now is 71.2 secs Computing kpt #: 154 total cpu time spent up to now is 71.6 secs Computing kpt #: 155 total cpu time spent up to now is 72.0 secs Computing kpt #: 156 total cpu time spent up to now is 72.4 secs Computing kpt #: 157 total cpu time spent up to now is 72.8 secs Computing kpt #: 158 total cpu time spent up to now is 73.3 secs Computing kpt #: 159 total cpu time spent up to now is 73.7 secs Computing kpt #: 160 total cpu time spent up to now is 74.1 secs Computing kpt #: 161 total cpu time spent up to now is 74.5 secs Computing kpt #: 162 total cpu time spent up to now is 74.9 secs Computing kpt #: 163 total cpu time spent up to now is 75.3 secs Computing kpt #: 164 total cpu time spent up to now is 75.7 secs Computing kpt #: 165 total cpu time spent up to now is 76.1 secs Computing kpt #: 166 total cpu time spent up to now is 76.5 secs Computing kpt #: 167 total cpu time spent up to now is 76.9 secs Computing kpt #: 168 total cpu time spent up to now is 77.3 secs Computing kpt #: 169 total cpu time spent up to now is 77.7 secs Computing kpt #: 170 total cpu time spent up to now is 78.1 secs Computing kpt #: 171 total cpu time spent up to now is 78.5 secs Computing kpt #: 172 total cpu time spent up to now is 78.9 secs Computing kpt #: 173 total cpu time spent up to now is 79.3 secs Computing kpt #: 174 total cpu time spent up to now is 79.7 secs Computing kpt #: 175 total cpu time spent up to now is 80.1 secs Computing kpt #: 176 total cpu time spent up to now is 80.5 secs Computing kpt #: 177 total cpu time spent up to now is 80.9 secs Computing kpt #: 178 total cpu time spent up to now is 81.3 secs Computing kpt #: 179 total cpu time spent up to now is 81.6 secs Computing kpt #: 180 total cpu time spent up to now is 82.0 secs Computing kpt #: 181 total cpu time spent up to now is 82.4 secs Computing kpt #: 182 total cpu time spent up to now is 82.7 secs Computing kpt #: 183 total cpu time spent up to now is 83.1 secs Computing kpt #: 184 total cpu time spent up to now is 83.4 secs Computing kpt #: 185 total cpu time spent up to now is 83.8 secs Computing kpt #: 186 total cpu time spent up to now is 84.2 secs Computing kpt #: 187 total cpu time spent up to now is 84.5 secs Computing kpt #: 188 total cpu time spent up to now is 84.9 secs Computing kpt #: 189 total cpu time spent up to now is 85.2 secs Computing kpt #: 190 total cpu time spent up to now is 85.6 secs Computing kpt #: 191 total cpu time spent up to now is 85.9 secs Computing kpt #: 192 total cpu time spent up to now is 86.2 secs Computing kpt #: 193 total cpu time spent up to now is 86.6 secs Computing kpt #: 194 total cpu time spent up to now is 86.9 secs Computing kpt #: 195 total cpu time spent up to now is 87.2 secs Computing kpt #: 196 total cpu time spent up to now is 87.6 secs Computing kpt #: 197 total cpu time spent up to now is 87.9 secs Computing kpt #: 198 total cpu time spent up to now is 88.3 secs Computing kpt #: 199 total cpu time spent up to now is 88.6 secs Computing kpt #: 200 total cpu time spent up to now is 88.9 secs Computing kpt #: 201 total cpu time spent up to now is 89.3 secs Computing kpt #: 202 total cpu time spent up to now is 89.6 secs Computing kpt #: 203 total cpu time spent up to now is 89.9 secs Computing kpt #: 204 total cpu time spent up to now is 90.3 secs Computing kpt #: 205 total cpu time spent up to now is 90.7 secs Computing kpt #: 206 total cpu time spent up to now is 91.0 secs Computing kpt #: 207 total cpu time spent up to now is 91.4 secs Computing kpt #: 208 total cpu time spent up to now is 91.7 secs Computing kpt #: 209 total cpu time spent up to now is 92.1 secs Computing kpt #: 210 total cpu time spent up to now is 92.4 secs Computing kpt #: 211 total cpu time spent up to now is 92.8 secs Computing kpt #: 212 total cpu time spent up to now is 93.1 secs Computing kpt #: 213 total cpu time spent up to now is 93.5 secs Computing kpt #: 214 total cpu time spent up to now is 93.8 secs Computing kpt #: 215 total cpu time spent up to now is 94.2 secs Computing kpt #: 216 total cpu time spent up to now is 94.6 secs Computing kpt #: 217 total cpu time spent up to now is 94.9 secs Computing kpt #: 218 total cpu time spent up to now is 95.3 secs Computing kpt #: 219 total cpu time spent up to now is 95.7 secs Computing kpt #: 220 total cpu time spent up to now is 96.1 secs Computing kpt #: 221 total cpu time spent up to now is 96.5 secs Computing kpt #: 222 total cpu time spent up to now is 96.8 secs Computing kpt #: 223 total cpu time spent up to now is 97.2 secs Computing kpt #: 224 total cpu time spent up to now is 97.7 secs Computing kpt #: 225 total cpu time spent up to now is 98.1 secs Computing kpt #: 226 total cpu time spent up to now is 98.5 secs Computing kpt #: 227 total cpu time spent up to now is 98.9 secs Computing kpt #: 228 total cpu time spent up to now is 99.3 secs Computing kpt #: 229 total cpu time spent up to now is 99.7 secs Computing kpt #: 230 total cpu time spent up to now is 100.2 secs Computing kpt #: 231 total cpu time spent up to now is 100.7 secs Computing kpt #: 232 total cpu time spent up to now is 101.1 secs Computing kpt #: 233 total cpu time spent up to now is 101.6 secs Computing kpt #: 234 total cpu time spent up to now is 102.1 secs Computing kpt #: 235 total cpu time spent up to now is 102.6 secs Computing kpt #: 236 total cpu time spent up to now is 103.1 secs Computing kpt #: 237 total cpu time spent up to now is 103.5 secs Computing kpt #: 238 total cpu time spent up to now is 104.0 secs Computing kpt #: 239 total cpu time spent up to now is 104.5 secs Computing kpt #: 240 total cpu time spent up to now is 104.9 secs Computing kpt #: 241 total cpu time spent up to now is 105.4 secs Computing kpt #: 242 total cpu time spent up to now is 105.8 secs Computing kpt #: 243 total cpu time spent up to now is 106.2 secs Computing kpt #: 244 total cpu time spent up to now is 106.6 secs Computing kpt #: 245 total cpu time spent up to now is 107.0 secs Computing kpt #: 246 total cpu time spent up to now is 107.4 secs Computing kpt #: 247 total cpu time spent up to now is 107.8 secs Computing kpt #: 248 total cpu time spent up to now is 108.2 secs Computing kpt #: 249 total cpu time spent up to now is 108.7 secs Computing kpt #: 250 total cpu time spent up to now is 109.1 secs Computing kpt #: 251 total cpu time spent up to now is 109.5 secs Computing kpt #: 252 total cpu time spent up to now is 109.9 secs Computing kpt #: 253 total cpu time spent up to now is 110.3 secs Computing kpt #: 254 total cpu time spent up to now is 110.7 secs Computing kpt #: 255 total cpu time spent up to now is 111.0 secs Computing kpt #: 256 total cpu time spent up to now is 111.4 secs Computing kpt #: 257 total cpu time spent up to now is 111.8 secs Computing kpt #: 258 total cpu time spent up to now is 112.1 secs Computing kpt #: 259 total cpu time spent up to now is 112.5 secs Computing kpt #: 260 total cpu time spent up to now is 112.9 secs Computing kpt #: 261 total cpu time spent up to now is 113.2 secs Computing kpt #: 262 total cpu time spent up to now is 113.6 secs Computing kpt #: 263 total cpu time spent up to now is 114.0 secs Computing kpt #: 264 total cpu time spent up to now is 114.4 secs Computing kpt #: 265 total cpu time spent up to now is 114.8 secs Computing kpt #: 266 total cpu time spent up to now is 115.3 secs Computing kpt #: 267 total cpu time spent up to now is 115.8 secs Computing kpt #: 268 total cpu time spent up to now is 116.2 secs Computing kpt #: 269 total cpu time spent up to now is 116.6 secs Computing kpt #: 270 total cpu time spent up to now is 116.9 secs Computing kpt #: 271 total cpu time spent up to now is 117.3 secs Computing kpt #: 272 total cpu time spent up to now is 117.6 secs Computing kpt #: 273 total cpu time spent up to now is 117.9 secs Computing kpt #: 274 total cpu time spent up to now is 118.3 secs Computing kpt #: 275 total cpu time spent up to now is 118.7 secs Computing kpt #: 276 total cpu time spent up to now is 119.0 secs Computing kpt #: 277 total cpu time spent up to now is 119.4 secs Computing kpt #: 278 total cpu time spent up to now is 119.7 secs Computing kpt #: 279 total cpu time spent up to now is 120.1 secs Computing kpt #: 280 total cpu time spent up to now is 120.4 secs Computing kpt #: 281 total cpu time spent up to now is 120.8 secs Computing kpt #: 282 total cpu time spent up to now is 121.1 secs Computing kpt #: 283 total cpu time spent up to now is 121.5 secs Computing kpt #: 284 total cpu time spent up to now is 121.8 secs Computing kpt #: 285 total cpu time spent up to now is 122.1 secs Computing kpt #: 286 total cpu time spent up to now is 122.5 secs Computing kpt #: 287 total cpu time spent up to now is 122.8 secs Computing kpt #: 288 total cpu time spent up to now is 123.1 secs Computing kpt #: 289 total cpu time spent up to now is 123.5 secs Computing kpt #: 290 total cpu time spent up to now is 123.8 secs Computing kpt #: 291 total cpu time spent up to now is 124.2 secs Computing kpt #: 292 total cpu time spent up to now is 124.5 secs Computing kpt #: 293 total cpu time spent up to now is 124.9 secs Computing kpt #: 294 total cpu time spent up to now is 125.2 secs Computing kpt #: 295 total cpu time spent up to now is 125.6 secs Computing kpt #: 296 total cpu time spent up to now is 125.9 secs Computing kpt #: 297 total cpu time spent up to now is 126.3 secs Computing kpt #: 298 total cpu time spent up to now is 126.7 secs Computing kpt #: 299 total cpu time spent up to now is 127.0 secs Computing kpt #: 300 total cpu time spent up to now is 127.4 secs Computing kpt #: 301 total cpu time spent up to now is 127.7 secs Computing kpt #: 302 total cpu time spent up to now is 128.1 secs Computing kpt #: 303 total cpu time spent up to now is 128.5 secs Computing kpt #: 304 total cpu time spent up to now is 128.8 secs Computing kpt #: 305 total cpu time spent up to now is 129.2 secs Computing kpt #: 306 total cpu time spent up to now is 129.6 secs Computing kpt #: 307 total cpu time spent up to now is 130.0 secs Computing kpt #: 308 total cpu time spent up to now is 130.3 secs Computing kpt #: 309 total cpu time spent up to now is 130.7 secs Computing kpt #: 310 total cpu time spent up to now is 131.1 secs Computing kpt #: 311 total cpu time spent up to now is 131.5 secs Computing kpt #: 312 total cpu time spent up to now is 131.9 secs Computing kpt #: 313 total cpu time spent up to now is 132.3 secs Computing kpt #: 314 total cpu time spent up to now is 133.0 secs Computing kpt #: 315 total cpu time spent up to now is 133.4 secs Computing kpt #: 316 total cpu time spent up to now is 133.8 secs Computing kpt #: 317 total cpu time spent up to now is 134.2 secs Computing kpt #: 318 total cpu time spent up to now is 134.7 secs Computing kpt #: 319 total cpu time spent up to now is 135.2 secs Computing kpt #: 320 total cpu time spent up to now is 135.7 secs Computing kpt #: 321 total cpu time spent up to now is 136.1 secs Computing kpt #: 322 total cpu time spent up to now is 136.7 secs Computing kpt #: 323 total cpu time spent up to now is 137.2 secs Computing kpt #: 324 total cpu time spent up to now is 137.7 secs Computing kpt #: 325 total cpu time spent up to now is 138.1 secs Computing kpt #: 326 total cpu time spent up to now is 138.8 secs Computing kpt #: 327 total cpu time spent up to now is 139.2 secs Computing kpt #: 328 total cpu time spent up to now is 139.8 secs Computing kpt #: 329 total cpu time spent up to now is 140.4 secs Computing kpt #: 330 total cpu time spent up to now is 141.1 secs Computing kpt #: 331 total cpu time spent up to now is 141.6 secs Computing kpt #: 332 total cpu time spent up to now is 142.2 secs Computing kpt #: 333 total cpu time spent up to now is 142.9 secs Computing kpt #: 334 total cpu time spent up to now is 143.6 secs Computing kpt #: 335 total cpu time spent up to now is 144.3 secs Computing kpt #: 336 total cpu time spent up to now is 145.0 secs Computing kpt #: 337 total cpu time spent up to now is 145.5 secs ethr = 3.33E-08, avg # of iterations = 19.4 total cpu time spent up to now is 145.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7239 PWs) bands (ev): -39.8573 -39.8573 -39.8097 -39.8097 -1.3602 -1.3602 -1.1288 -1.1288 -1.1288 -1.1288 -1.0790 -1.0790 -1.0790 -1.0790 -0.8803 -0.8803 -0.6270 -0.6270 -0.6270 -0.6270 -0.4938 -0.4938 -0.4114 -0.4114 -0.4114 -0.4114 9.4654 9.4654 9.5768 9.5768 9.5768 9.5768 9.6271 9.6271 9.6936 9.6936 9.6936 9.6936 k = 0.0098-0.0057 0.0080 ( 7239 PWs) bands (ev): -39.8573 -39.8573 -39.8097 -39.8097 -1.3591 -1.3591 -1.1289 -1.1289 -1.1288 -1.1288 -1.0790 -1.0790 -1.0788 -1.0788 -0.8801 -0.8801 -0.6272 -0.6272 -0.6269 -0.6269 -0.4938 -0.4938 -0.4115 -0.4115 -0.4113 -0.4113 9.3983 9.3983 9.4496 9.4496 9.5399 9.5399 9.6662 9.6662 9.7825 9.7825 9.7865 9.7865 k = 0.0196-0.0113 0.0160 ( 7259 PWs) bands (ev): -39.8572 -39.8572 -39.8097 -39.8097 -1.3559 -1.3559 -1.1294 -1.1294 -1.1287 -1.1287 -1.0790 -1.0790 -1.0783 -1.0783 -0.8794 -0.8794 -0.6275 -0.6275 -0.6266 -0.6266 -0.4938 -0.4938 -0.4117 -0.4117 -0.4108 -0.4108 9.2650 9.2650 9.2970 9.2970 9.4929 9.4929 9.6647 9.6647 9.9350 9.9350 9.9395 9.9395 k = 0.0294-0.0170 0.0240 ( 7267 PWs) bands (ev): -39.8572 -39.8572 -39.8098 -39.8098 -1.3506 -1.3506 -1.1301 -1.1301 -1.1286 -1.1286 -1.0790 -1.0790 -1.0775 -1.0775 -0.8783 -0.8783 -0.6280 -0.6280 -0.6260 -0.6260 -0.4938 -0.4938 -0.4122 -0.4122 -0.4102 -0.4102 9.1202 9.1202 9.1454 9.1454 9.4300 9.4300 9.6579 9.6579 10.0935 10.0935 10.1027 10.1027 k = 0.0392-0.0226 0.0320 ( 7259 PWs) bands (ev): -39.8571 -39.8571 -39.8099 -39.8099 -1.3431 -1.3431 -1.1310 -1.1310 -1.1285 -1.1285 -1.0790 -1.0790 -1.0763 -1.0763 -0.8768 -0.8768 -0.6288 -0.6288 -0.6252 -0.6252 -0.4938 -0.4938 -0.4128 -0.4128 -0.4092 -0.4092 8.9742 8.9742 8.9958 8.9958 9.3503 9.3503 9.6481 9.6481 10.2564 10.2564 10.2690 10.2690 k = 0.0490-0.0283 0.0400 ( 7271 PWs) bands (ev): -39.8570 -39.8570 -39.8100 -39.8100 -1.3336 -1.3336 -1.1322 -1.1322 -1.1283 -1.1283 -1.0790 -1.0790 -1.0747 -1.0747 -0.8748 -0.8748 -0.6298 -0.6298 -0.6242 -0.6242 -0.4938 -0.4938 -0.4136 -0.4136 -0.4080 -0.4080 8.8293 8.8293 8.8485 8.8485 9.2568 9.2568 9.6355 9.6355 10.4224 10.4224 10.4378 10.4378 k = 0.0588-0.0340 0.0480 ( 7255 PWs) bands (ev): -39.8569 -39.8569 -39.8101 -39.8101 -1.3221 -1.3221 -1.1336 -1.1336 -1.1280 -1.1280 -1.0790 -1.0790 -1.0728 -1.0728 -0.8724 -0.8724 -0.6310 -0.6310 -0.6230 -0.6230 -0.4936 -0.4936 -0.4146 -0.4146 -0.4065 -0.4065 8.6861 8.6861 8.7038 8.7038 9.1522 9.1522 9.6203 9.6203 10.5907 10.5907 10.6087 10.6087 k = 0.0686-0.0396 0.0560 ( 7247 PWs) bands (ev): -39.8567 -39.8567 -39.8103 -39.8103 -1.3086 -1.3086 -1.1352 -1.1352 -1.1277 -1.1277 -1.0790 -1.0790 -1.0705 -1.0705 -0.8697 -0.8697 -0.6324 -0.6324 -0.6216 -0.6216 -0.4934 -0.4934 -0.4157 -0.4157 -0.4047 -0.4047 8.5451 8.5451 8.5615 8.5615 9.0386 9.0386 9.6027 9.6027 10.7609 10.7609 10.7816 10.7816 k = 0.0784-0.0453 0.0640 ( 7247 PWs) bands (ev): -39.8565 -39.8565 -39.8104 -39.8104 -1.2933 -1.2933 -1.1370 -1.1370 -1.1273 -1.1273 -1.0790 -1.0790 -1.0678 -1.0678 -0.8667 -0.8667 -0.6340 -0.6340 -0.6199 -0.6199 -0.4931 -0.4931 -0.4170 -0.4170 -0.4026 -0.4026 8.4065 8.4065 8.4219 8.4219 8.9175 8.9175 9.5830 9.5830 10.9325 10.9325 10.9563 10.9563 k = 0.0882-0.0509 0.0720 ( 7247 PWs) bands (ev): -39.8563 -39.8563 -39.8106 -39.8106 -1.2762 -1.2762 -1.1389 -1.1389 -1.1268 -1.1268 -1.0790 -1.0790 -1.0646 -1.0646 -0.8633 -0.8633 -0.6358 -0.6358 -0.6180 -0.6180 -0.4927 -0.4927 -0.4184 -0.4184 -0.4001 -0.4001 8.2702 8.2702 8.2848 8.2848 8.7899 8.7899 9.5613 9.5613 11.1047 11.1047 11.1324 11.1324 k = 0.0980-0.0566 0.0800 ( 7235 PWs) bands (ev): -39.8561 -39.8561 -39.8108 -39.8108 -1.2576 -1.2576 -1.1410 -1.1410 -1.1262 -1.1262 -1.0791 -1.0791 -1.0608 -1.0608 -0.8596 -0.8596 -0.6377 -0.6377 -0.6159 -0.6159 -0.4921 -0.4921 -0.4200 -0.4200 -0.3973 -0.3973 8.1365 8.1365 8.1504 8.1504 8.6565 8.6565 9.5378 9.5378 11.0584 11.0584 11.2784 11.2784 k = 0.1078-0.0623 0.0881 ( 7227 PWs) bands (ev): -39.8559 -39.8559 -39.8110 -39.8110 -1.2378 -1.2378 -1.1431 -1.1431 -1.1254 -1.1254 -1.0792 -1.0792 -1.0563 -1.0563 -0.8556 -0.8556 -0.6398 -0.6398 -0.6135 -0.6135 -0.4914 -0.4914 -0.4218 -0.4218 -0.3941 -0.3941 8.0054 8.0054 8.0187 8.0187 8.5179 8.5179 9.5128 9.5128 10.9413 10.9413 11.4505 11.4505 k = 0.1176-0.0679 0.0961 ( 7211 PWs) bands (ev): -39.8556 -39.8556 -39.8113 -39.8113 -1.2171 -1.2171 -1.1453 -1.1453 -1.1243 -1.1243 -1.0793 -1.0793 -1.0509 -1.0509 -0.8514 -0.8514 -0.6420 -0.6420 -0.6110 -0.6110 -0.4904 -0.4904 -0.4237 -0.4237 -0.3904 -0.3904 7.8768 7.8768 7.8896 7.8896 8.3745 8.3745 9.4864 9.4864 10.8194 10.8194 11.6206 11.6206 k = 0.1275-0.0736 0.1041 ( 7211 PWs) bands (ev): -39.8553 -39.8553 -39.8115 -39.8115 -1.1961 -1.1961 -1.1475 -1.1475 -1.1229 -1.1229 -1.0794 -1.0794 -1.0443 -1.0443 -0.8470 -0.8470 -0.6443 -0.6443 -0.6082 -0.6082 -0.4893 -0.4893 -0.4257 -0.4257 -0.3861 -0.3861 7.7509 7.7509 7.7633 7.7633 8.2266 8.2266 9.4588 9.4588 10.6971 10.6971 11.7865 11.7865 k = 0.1373-0.0792 0.1121 ( 7219 PWs) bands (ev): -39.8550 -39.8550 -39.8118 -39.8118 -1.1759 -1.1759 -1.1497 -1.1497 -1.1207 -1.1207 -1.0796 -1.0796 -1.0359 -1.0359 -0.8424 -0.8424 -0.6466 -0.6466 -0.6053 -0.6053 -0.4879 -0.4879 -0.4278 -0.4278 -0.3812 -0.3812 7.6276 7.6276 7.6397 7.6397 8.0746 8.0746 9.4302 9.4302 10.5766 10.5766 11.9454 11.9454 k = 0.1471-0.0849 0.1201 ( 7219 PWs) bands (ev): -39.8547 -39.8547 -39.8121 -39.8121 -1.1580 -1.1580 -1.1518 -1.1518 -1.1171 -1.1171 -1.0798 -1.0798 -1.0252 -1.0252 -0.8377 -0.8377 -0.6489 -0.6489 -0.6022 -0.6022 -0.4863 -0.4863 -0.4300 -0.4300 -0.3754 -0.3754 7.5071 7.5071 7.5188 7.5188 7.9188 7.9188 9.4009 9.4009 10.4594 10.4594 12.0938 12.0938 k = 0.1569-0.0906 0.1281 ( 7231 PWs) bands (ev): -39.8544 -39.8544 -39.8125 -39.8125 -1.1540 -1.1540 -1.1446 -1.1446 -1.1109 -1.1109 -1.0800 -1.0800 -1.0112 -1.0112 -0.8328 -0.8328 -0.6510 -0.6510 -0.5989 -0.5989 -0.4845 -0.4845 -0.4324 -0.4324 -0.3687 -0.3687 7.3892 7.3892 7.4007 7.4007 7.7595 7.7595 9.3709 9.3709 10.3462 10.3462 12.2284 12.2284 k = 0.1667-0.0962 0.1361 ( 7223 PWs) bands (ev): -39.8540 -39.8540 -39.8128 -39.8128 -1.1560 -1.1560 -1.1366 -1.1366 -1.1020 -1.1020 -1.0802 -1.0802 -0.9936 -0.9936 -0.8278 -0.8278 -0.6530 -0.6530 -0.5955 -0.5955 -0.4824 -0.4824 -0.4347 -0.4347 -0.3608 -0.3608 7.2740 7.2740 7.2855 7.2855 7.5972 7.5972 9.3405 9.3405 10.2376 10.2376 12.3481 12.3481 k = 0.1765-0.1019 0.1441 ( 7231 PWs) bands (ev): -39.8536 -39.8536 -39.8132 -39.8132 -1.1580 -1.1580 -1.1323 -1.1323 -1.0925 -1.0925 -1.0805 -1.0805 -0.9723 -0.9723 -0.8226 -0.8226 -0.6546 -0.6546 -0.5919 -0.5919 -0.4801 -0.4801 -0.4372 -0.4372 -0.3513 -0.3513 7.1614 7.1614 7.1731 7.1731 7.4322 7.4322 9.3098 9.3098 10.1337 10.1337 12.4545 12.4545 k = 0.1863-0.1075 0.1521 ( 7223 PWs) bands (ev): -39.8532 -39.8532 -39.8136 -39.8136 -1.1598 -1.1598 -1.1297 -1.1297 -1.0839 -1.0839 -1.0809 -1.0809 -0.9483 -0.9483 -0.8174 -0.8174 -0.6559 -0.6559 -0.5882 -0.5882 -0.4776 -0.4776 -0.4396 -0.4396 -0.3401 -0.3401 7.0514 7.0514 7.0635 7.0635 7.2651 7.2651 9.2790 9.2790 10.0348 10.0348 12.5508 12.5508 k = 0.1961-0.1132 0.1601 ( 7223 PWs) bands (ev): -39.8528 -39.8528 -39.8140 -39.8140 -1.1616 -1.1616 -1.1280 -1.1280 -1.0812 -1.0812 -1.0767 -1.0767 -0.9226 -0.9226 -0.8122 -0.8122 -0.6565 -0.6565 -0.5845 -0.5845 -0.4748 -0.4748 -0.4421 -0.4421 -0.3265 -0.3265 6.9434 6.9434 6.9568 6.9568 7.0968 7.0968 9.2482 9.2482 9.9407 9.9407 12.6409 12.6409 k = 0.2059-0.1189 0.1681 ( 7223 PWs) bands (ev): -39.8524 -39.8524 -39.8144 -39.8144 -1.1632 -1.1632 -1.1266 -1.1266 -1.0817 -1.0817 -1.0707 -1.0707 -0.8964 -0.8964 -0.8068 -0.8068 -0.6564 -0.6564 -0.5808 -0.5808 -0.4719 -0.4719 -0.4445 -0.4445 -0.3102 -0.3102 6.8356 6.8356 6.8530 6.8530 6.9293 6.9293 9.2175 9.2175 9.8515 9.8515 12.7274 12.7275 k = 0.2157-0.1245 0.1761 ( 7231 PWs) bands (ev): -39.8519 -39.8519 -39.8149 -39.8149 -1.1646 -1.1646 -1.1254 -1.1254 -1.0821 -1.0821 -1.0656 -1.0656 -0.8710 -0.8710 -0.8015 -0.8015 -0.6552 -0.6552 -0.5771 -0.5771 -0.4687 -0.4687 -0.4468 -0.4468 -0.2906 -0.2906 6.7170 6.7170 6.7522 6.7522 6.7744 6.7744 9.1871 9.1871 9.7669 9.7669 12.8126 12.8126 k = 0.2255-0.1302 0.1841 ( 7227 PWs) bands (ev): -39.8514 -39.8514 -39.8153 -39.8153 -1.1658 -1.1658 -1.1244 -1.1244 -1.0826 -1.0826 -1.0613 -1.0613 -0.8474 -0.8474 -0.7961 -0.7961 -0.6529 -0.6529 -0.5735 -0.5735 -0.4654 -0.4654 -0.4489 -0.4489 -0.2671 -0.2671 6.5626 6.5626 6.6543 6.6543 6.6571 6.6571 9.1570 9.1570 9.6869 9.6869 12.8976 12.8976 k = 0.2353-0.1358 0.1921 ( 7219 PWs) bands (ev): -39.8509 -39.8509 -39.8158 -39.8158 -1.1669 -1.1669 -1.1235 -1.1235 -1.0831 -1.0831 -1.0576 -1.0576 -0.8265 -0.8265 -0.7907 -0.7907 -0.6493 -0.6493 -0.5701 -0.5701 -0.4619 -0.4619 -0.4509 -0.4509 -0.2392 -0.2392 6.3924 6.3924 6.5580 6.5580 6.5594 6.5594 9.1273 9.1273 9.6113 9.6113 12.9834 12.9834 k = 0.2451-0.1415 0.2001 ( 7203 PWs) bands (ev): -39.8504 -39.8504 -39.8163 -39.8163 -1.1677 -1.1677 -1.1226 -1.1226 -1.0837 -1.0837 -1.0544 -1.0544 -0.8089 -0.8089 -0.7854 -0.7854 -0.6444 -0.6444 -0.5670 -0.5670 -0.4583 -0.4583 -0.4525 -0.4525 -0.2062 -0.2062 6.2191 6.2191 6.4647 6.4647 6.4676 6.4676 9.0982 9.0982 9.5398 9.5398 13.0706 13.0706 k = 0.2549-0.1472 0.2081 ( 7227 PWs) bands (ev): -39.8499 -39.8499 -39.8168 -39.8168 -1.1684 -1.1684 -1.1218 -1.1218 -1.0843 -1.0843 -1.0517 -1.0517 -0.7947 -0.7947 -0.7800 -0.7800 -0.6384 -0.6384 -0.5642 -0.5642 -0.4545 -0.4545 -0.4538 -0.4538 -0.1680 -0.1680 6.0448 6.0448 6.3753 6.3753 6.3788 6.3788 9.0697 9.0697 9.4723 9.4723 13.1597 13.1597 k = 0.2647-0.1528 0.2161 ( 7227 PWs) bands (ev): -39.8494 -39.8494 -39.8174 -39.8174 -1.1688 -1.1688 -1.1210 -1.1210 -1.0849 -1.0849 -1.0494 -1.0494 -0.7837 -0.7837 -0.7747 -0.7747 -0.6317 -0.6317 -0.5618 -0.5618 -0.4546 -0.4546 -0.4506 -0.4506 -0.1243 -0.1243 5.8703 5.8703 6.2893 6.2893 6.2931 6.2931 9.0419 9.0419 9.4087 9.4087 13.2509 13.2509 k = 0.2745-0.1585 0.2241 ( 7227 PWs) bands (ev): -39.8488 -39.8488 -39.8179 -39.8179 -1.1690 -1.1690 -1.1202 -1.1202 -1.0855 -1.0855 -1.0476 -1.0476 -0.7754 -0.7754 -0.7694 -0.7694 -0.6248 -0.6248 -0.5600 -0.5600 -0.4549 -0.4549 -0.4466 -0.4466 -0.0750 -0.0750 5.6961 5.6961 6.2066 6.2066 6.2105 6.2105 9.0148 9.0148 9.3488 9.3488 13.3444 13.3444 k = 0.2843-0.1641 0.2321 ( 7227 PWs) bands (ev): -39.8482 -39.8482 -39.8185 -39.8185 -1.1689 -1.1689 -1.1195 -1.1195 -1.0862 -1.0862 -1.0462 -1.0462 -0.7693 -0.7693 -0.7641 -0.7641 -0.6183 -0.6183 -0.5588 -0.5588 -0.4547 -0.4547 -0.4426 -0.4426 -0.0205 -0.0205 5.5224 5.5224 6.1272 6.1272 6.1311 6.1311 8.9886 8.9886 9.2923 9.2923 13.4403 13.4403 k = 0.2941-0.1698 0.2401 ( 7227 PWs) bands (ev): -39.8477 -39.8477 -39.8190 -39.8190 -1.1686 -1.1686 -1.1187 -1.1187 -1.0869 -1.0869 -1.0453 -1.0453 -0.7646 -0.7646 -0.7589 -0.7589 -0.6123 -0.6123 -0.5582 -0.5582 -0.4538 -0.4538 -0.4386 -0.4386 0.0392 0.0392 5.3495 5.3495 6.0510 6.0510 6.0548 6.0548 8.9633 8.9633 9.2392 9.2392 13.5388 13.5388 k = 0.3039-0.1755 0.2482 ( 7227 PWs) bands (ev): -39.8471 -39.8471 -39.8196 -39.8196 -1.1681 -1.1681 -1.1180 -1.1180 -1.0877 -1.0877 -1.0448 -1.0448 -0.7610 -0.7610 -0.7538 -0.7538 -0.6071 -0.6071 -0.5584 -0.5584 -0.4523 -0.4523 -0.4345 -0.4345 0.1036 0.1036 5.1775 5.1775 5.9781 5.9781 5.9818 5.9818 8.9389 8.9389 9.1892 9.1892 13.6399 13.6399 k = 0.3137-0.1811 0.2562 ( 7227 PWs) bands (ev): -39.8464 -39.8464 -39.8202 -39.8202 -1.1673 -1.1673 -1.1173 -1.1173 -1.0884 -1.0884 -1.0448 -1.0448 -0.7581 -0.7581 -0.7487 -0.7487 -0.6028 -0.6028 -0.5592 -0.5592 -0.4502 -0.4502 -0.4305 -0.4305 0.1726 0.1726 5.0068 5.0068 5.9085 5.9085 5.9121 5.9121 8.9155 8.9155 9.1424 9.1424 13.7437 13.7437 k = 0.3235-0.1868 0.2642 ( 7219 PWs) bands (ev): -39.8458 -39.8458 -39.8208 -39.8208 -1.1663 -1.1663 -1.1167 -1.1167 -1.0892 -1.0892 -1.0452 -1.0452 -0.7555 -0.7555 -0.7437 -0.7437 -0.5993 -0.5993 -0.5606 -0.5606 -0.4475 -0.4475 -0.4264 -0.4264 0.2458 0.2458 4.8373 4.8373 5.8422 5.8422 5.8456 5.8456 8.8932 8.8932 9.0984 9.0984 13.8502 13.8502 k = 0.3333-0.1925 0.2722 ( 7199 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1650 -1.1650 -1.1160 -1.1160 -1.0900 -1.0900 -1.0460 -1.0460 -0.7531 -0.7531 -0.7388 -0.7388 -0.5967 -0.5967 -0.5626 -0.5626 -0.4444 -0.4444 -0.4225 -0.4225 0.3229 0.3229 4.6694 4.6694 5.7792 5.7792 5.7825 5.7825 8.8720 8.8720 9.0574 9.0574 13.9595 13.9595 k = 0.3431-0.1981 0.2802 ( 7207 PWs) bands (ev): -39.8445 -39.8445 -39.8221 -39.8221 -1.1635 -1.1635 -1.1154 -1.1154 -1.0908 -1.0908 -1.0473 -1.0473 -0.7507 -0.7507 -0.7341 -0.7341 -0.5948 -0.5948 -0.5652 -0.5652 -0.4409 -0.4409 -0.4186 -0.4186 0.4039 0.4039 4.5030 4.5030 5.7197 5.7197 5.7227 5.7227 8.8519 8.8519 9.0190 9.0190 14.0715 14.0715 k = 0.3529-0.2038 0.2882 ( 7195 PWs) bands (ev): -39.8439 -39.8439 -39.8227 -39.8227 -1.1617 -1.1617 -1.1148 -1.1148 -1.0916 -1.0916 -1.0490 -1.0490 -0.7483 -0.7483 -0.7294 -0.7294 -0.5935 -0.5935 -0.5681 -0.5681 -0.4371 -0.4371 -0.4149 -0.4149 0.4884 0.4884 4.3383 4.3383 5.6635 5.6635 5.6664 5.6664 8.8329 8.8329 8.9833 8.9833 14.1862 14.1862 k = 0.3627-0.2094 0.2962 ( 7203 PWs) bands (ev): -39.8432 -39.8432 -39.8234 -39.8234 -1.1596 -1.1596 -1.1141 -1.1141 -1.0924 -1.0924 -1.0512 -1.0512 -0.7457 -0.7457 -0.7249 -0.7249 -0.5928 -0.5928 -0.5714 -0.5714 -0.4331 -0.4331 -0.4113 -0.4113 0.5764 0.5764 4.1754 4.1754 5.6107 5.6107 5.6135 5.6135 8.8152 8.8152 8.9500 8.9500 14.3037 14.3037 k = 0.3725-0.2151 0.3042 ( 7195 PWs) bands (ev): -39.8425 -39.8425 -39.8240 -39.8240 -1.1574 -1.1574 -1.1135 -1.1135 -1.0932 -1.0932 -1.0537 -1.0537 -0.7430 -0.7430 -0.7206 -0.7206 -0.5927 -0.5927 -0.5749 -0.5749 -0.4290 -0.4290 -0.4079 -0.4079 0.6677 0.6677 4.0144 4.0144 5.5615 5.5615 5.5640 5.5640 8.7987 8.7987 8.9193 8.9193 14.4239 14.4239 k = 0.3824-0.2208 0.3122 ( 7199 PWs) bands (ev): -39.8419 -39.8419 -39.8247 -39.8247 -1.1548 -1.1548 -1.1129 -1.1129 -1.0940 -1.0940 -1.0565 -1.0565 -0.7400 -0.7400 -0.7165 -0.7165 -0.5929 -0.5929 -0.5786 -0.5786 -0.4248 -0.4248 -0.4047 -0.4047 0.7621 0.7621 3.8553 3.8553 5.5157 5.5157 5.5181 5.5181 8.7835 8.7835 8.8909 8.8909 14.5469 14.5469 k = 0.3922-0.2264 0.3202 ( 7195 PWs) bands (ev): -39.8412 -39.8412 -39.8254 -39.8254 -1.1521 -1.1521 -1.1124 -1.1124 -1.0948 -1.0948 -1.0597 -1.0597 -0.7369 -0.7369 -0.7126 -0.7126 -0.5936 -0.5936 -0.5824 -0.5824 -0.4206 -0.4206 -0.4017 -0.4017 0.8597 0.8597 3.6983 3.6983 5.4735 5.4735 5.4756 5.4756 8.7697 8.7697 8.8648 8.8648 14.6727 14.6727 k = 0.4020-0.2321 0.3282 ( 7187 PWs) bands (ev): -39.8405 -39.8405 -39.8261 -39.8261 -1.1491 -1.1491 -1.1118 -1.1118 -1.0956 -1.0956 -1.0631 -1.0631 -0.7335 -0.7335 -0.7090 -0.7090 -0.5945 -0.5945 -0.5862 -0.5862 -0.4166 -0.4166 -0.3990 -0.3990 0.9604 0.9604 3.5435 3.5435 5.4349 5.4349 5.4368 5.4368 8.7572 8.7572 8.8410 8.8410 14.8012 14.8012 k = 0.4118-0.2377 0.3362 ( 7183 PWs) bands (ev): -39.8398 -39.8398 -39.8268 -39.8268 -1.1460 -1.1460 -1.1113 -1.1113 -1.0964 -1.0964 -1.0669 -1.0669 -0.7300 -0.7300 -0.7057 -0.7057 -0.5957 -0.5957 -0.5899 -0.5899 -0.4126 -0.4126 -0.3965 -0.3965 1.0640 1.0640 3.3908 3.3908 5.3998 5.3998 5.4015 5.4015 8.7460 8.7460 8.8193 8.8193 14.9323 14.9323 k = 0.4216-0.2434 0.3442 ( 7183 PWs) bands (ev): -39.8390 -39.8390 -39.8275 -39.8275 -1.1426 -1.1426 -1.1107 -1.1107 -1.0971 -1.0971 -1.0708 -1.0708 -0.7264 -0.7264 -0.7028 -0.7028 -0.5971 -0.5971 -0.5935 -0.5935 -0.4089 -0.4089 -0.3943 -0.3943 1.1705 1.1705 3.2403 3.2403 5.3684 5.3684 5.3699 5.3699 8.7363 8.7363 8.7998 8.7998 15.0662 15.0662 k = 0.4314-0.2491 0.3522 ( 7179 PWs) bands (ev): -39.8383 -39.8383 -39.8282 -39.8282 -1.1391 -1.1391 -1.1103 -1.1103 -1.0978 -1.0978 -1.0748 -1.0748 -0.7227 -0.7227 -0.7003 -0.7003 -0.5986 -0.5986 -0.5968 -0.5968 -0.4054 -0.4054 -0.3925 -0.3925 1.2799 1.2799 3.0922 3.0922 5.3406 5.3406 5.3419 5.3419 8.7280 8.7280 8.7822 8.7822 15.2028 15.2028 k = 0.4412-0.2547 0.3602 ( 7171 PWs) bands (ev): -39.8376 -39.8376 -39.8289 -39.8289 -1.1353 -1.1353 -1.1098 -1.1098 -1.0985 -1.0985 -1.0790 -1.0790 -0.7190 -0.7190 -0.6984 -0.6984 -0.6002 -0.6002 -0.5998 -0.5998 -0.4022 -0.4022 -0.3910 -0.3910 1.3921 1.3921 2.9463 2.9463 5.3165 5.3165 5.3176 5.3176 8.7212 8.7212 8.7667 8.7667 15.3420 15.3420 k = 0.4510-0.2604 0.3682 ( 7175 PWs) bands (ev): -39.8369 -39.8369 -39.8296 -39.8296 -1.1315 -1.1315 -1.1094 -1.1094 -1.0991 -1.0991 -1.0832 -1.0832 -0.7153 -0.7153 -0.6970 -0.6970 -0.6024 -0.6024 -0.6018 -0.6018 -0.3992 -0.3992 -0.3898 -0.3898 1.5071 1.5071 2.8029 2.8029 5.2960 5.2960 5.2970 5.2970 8.7159 8.7159 8.7532 8.7532 15.4839 15.4839 k = 0.4608-0.2660 0.3762 ( 7175 PWs) bands (ev): -39.8362 -39.8362 -39.8303 -39.8303 -1.1276 -1.1276 -1.1092 -1.1092 -1.0997 -1.0997 -1.0874 -1.0874 -0.7117 -0.7117 -0.6962 -0.6962 -0.6046 -0.6046 -0.6034 -0.6034 -0.3966 -0.3966 -0.3890 -0.3890 1.6248 1.6248 2.6618 2.6618 5.2793 5.2793 5.2801 5.2801 8.7122 8.7122 8.7415 8.7415 15.6284 15.6284 k = 0.4706-0.2717 0.3842 ( 7171 PWs) bands (ev): -39.8354 -39.8354 -39.8310 -39.8310 -1.1236 -1.1236 -1.1092 -1.1092 -1.1001 -1.1001 -1.0914 -1.0914 -0.7083 -0.7083 -0.6961 -0.6961 -0.6061 -0.6061 -0.6048 -0.6048 -0.3943 -0.3943 -0.3886 -0.3886 1.7453 1.7453 2.5233 2.5233 5.2663 5.2663 5.2669 5.2669 8.7100 8.7100 8.7318 8.7318 15.7754 15.7754 k = 0.4804-0.2774 0.3922 ( 7171 PWs) bands (ev): -39.8347 -39.8347 -39.8318 -39.8318 -1.1198 -1.1198 -1.1096 -1.1096 -1.1003 -1.1003 -1.0949 -1.0949 -0.7051 -0.7051 -0.6967 -0.6967 -0.6071 -0.6071 -0.6060 -0.6060 -0.3924 -0.3924 -0.3886 -0.3886 1.8684 1.8684 2.3872 2.3872 5.2570 5.2570 5.2574 5.2574 8.7094 8.7094 8.7238 8.7238 15.9248 15.9248 k = 0.4902-0.2830 0.4002 ( 7184 PWs) bands (ev): -39.8340 -39.8340 -39.8325 -39.8325 -1.1161 -1.1161 -1.1108 -1.1108 -1.1002 -1.1002 -1.0977 -1.0977 -0.7022 -0.7022 -0.6980 -0.6980 -0.6076 -0.6076 -0.6069 -0.6069 -0.3909 -0.3909 -0.3889 -0.3889 1.9942 1.9942 2.2536 2.2536 5.2515 5.2515 5.2517 5.2517 8.7105 8.7105 8.7176 8.7176 16.0761 16.0761 k = 0.5000-0.2887 0.4082 ( 7216 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1130 -1.1130 -1.1130 -1.1130 -1.0995 -1.0995 -1.0995 -1.0995 -0.6998 -0.6998 -0.6998 -0.6998 -0.6075 -0.6075 -0.6075 -0.6075 -0.3897 -0.3897 -0.3897 -0.3897 2.1226 2.1226 2.1226 2.1226 5.2497 5.2497 5.2497 5.2497 8.7132 8.7132 8.7132 8.7132 16.2229 16.2229 k = 0.5000-0.2887 0.4082 ( 7216 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1130 -1.1130 -1.1130 -1.1130 -1.0995 -1.0995 -1.0995 -1.0995 -0.6998 -0.6998 -0.6998 -0.6998 -0.6075 -0.6075 -0.6075 -0.6075 -0.3897 -0.3897 -0.3897 -0.3897 2.1226 2.1226 2.1226 2.1226 5.2497 5.2497 5.2497 5.2497 8.7132 8.7132 8.7132 8.7132 16.2229 16.2229 k = 0.5000-0.2776 0.4161 ( 7182 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1165 -1.1165 -1.1105 -1.1105 -1.0999 -1.0999 -1.0978 -1.0978 -0.7021 -0.7021 -0.6977 -0.6977 -0.6102 -0.6102 -0.6049 -0.6049 -0.3924 -0.3924 -0.3868 -0.3868 2.1228 2.1228 2.1232 2.1232 5.2463 5.2463 5.2483 5.2483 8.7181 8.7181 8.7192 8.7192 16.2102 16.2103 k = 0.5000-0.2665 0.4240 ( 7178 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1203 -1.1203 -1.1101 -1.1101 -1.0983 -1.0983 -1.0958 -1.0958 -0.7045 -0.7045 -0.6956 -0.6956 -0.6132 -0.6132 -0.6026 -0.6026 -0.3948 -0.3948 -0.3838 -0.3838 2.1238 2.1238 2.1246 2.1246 5.2379 5.2379 5.2419 5.2419 8.7339 8.7339 8.7361 8.7361 16.1642 16.1642 k = 0.5000-0.2554 0.4318 ( 7172 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1242 -1.1242 -1.1113 -1.1113 -1.0950 -1.0950 -1.0936 -1.0936 -0.7070 -0.7070 -0.6936 -0.6936 -0.6162 -0.6162 -0.6007 -0.6007 -0.3970 -0.3970 -0.3806 -0.3806 2.1256 2.1256 2.1268 2.1268 5.2249 5.2249 5.2309 5.2309 8.7604 8.7604 8.7637 8.7637 16.0755 16.0755 k = 0.5000-0.2443 0.4397 ( 7172 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1281 -1.1281 -1.1131 -1.1131 -1.0913 -1.0913 -1.0909 -1.0909 -0.7096 -0.7096 -0.6916 -0.6916 -0.6194 -0.6194 -0.5990 -0.5990 -0.3989 -0.3989 -0.3774 -0.3774 2.1282 2.1282 2.1297 2.1297 5.2075 5.2075 5.2154 5.2154 8.7974 8.7974 8.8016 8.8016 15.9521 15.9521 k = 0.5000-0.2332 0.4475 ( 7168 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1319 -1.1319 -1.1152 -1.1152 -1.0890 -1.0890 -1.0865 -1.0865 -0.7123 -0.7123 -0.6897 -0.6897 -0.6226 -0.6226 -0.5978 -0.5978 -0.4005 -0.4005 -0.3740 -0.3740 2.1315 2.1315 2.1334 2.1334 5.1861 5.1861 5.1959 5.1959 8.8444 8.8444 8.8496 8.8496 15.8042 15.8042 k = 0.5000-0.2221 0.4554 ( 7178 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1356 -1.1356 -1.1173 -1.1173 -1.0867 -1.0867 -1.0819 -1.0819 -0.7152 -0.7152 -0.6878 -0.6878 -0.6257 -0.6257 -0.5969 -0.5969 -0.4018 -0.4018 -0.3706 -0.3706 2.1355 2.1355 2.1377 2.1377 5.1612 5.1612 5.1728 5.1728 8.9010 8.9010 8.9070 8.9070 15.6388 15.6390 k = 0.5000-0.2110 0.4632 ( 7186 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1392 -1.1392 -1.1194 -1.1194 -1.0845 -1.0845 -1.0773 -1.0773 -0.7183 -0.7183 -0.6859 -0.6859 -0.6289 -0.6289 -0.5964 -0.5964 -0.4028 -0.4028 -0.3672 -0.3672 2.1402 2.1402 2.1428 2.1428 5.1334 5.1334 5.1466 5.1466 8.9666 8.9666 8.9734 8.9734 15.4614 15.4614 k = 0.5000-0.1999 0.4711 ( 7198 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1427 -1.1427 -1.1216 -1.1216 -1.0823 -1.0823 -1.0727 -1.0727 -0.7215 -0.7215 -0.6840 -0.6840 -0.6319 -0.6319 -0.5963 -0.5963 -0.4035 -0.4035 -0.3639 -0.3639 2.1454 2.1454 2.1484 2.1484 5.1031 5.1031 5.1178 5.1178 9.0408 9.0408 9.0482 9.0482 15.2755 15.2755 k = 0.5000-0.1887 0.4789 ( 7194 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1460 -1.1460 -1.1236 -1.1236 -1.0802 -1.0802 -1.0680 -1.0680 -0.7248 -0.7248 -0.6821 -0.6821 -0.6348 -0.6348 -0.5966 -0.5966 -0.4039 -0.4039 -0.3605 -0.3605 2.1512 2.1512 2.1545 2.1545 5.0709 5.0709 5.0871 5.0871 9.1228 9.1228 9.1309 9.1309 15.0840 15.0840 k = 0.5000-0.1776 0.4868 ( 7198 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1491 -1.1491 -1.1257 -1.1257 -1.0781 -1.0781 -1.0634 -1.0634 -0.7282 -0.7282 -0.6801 -0.6801 -0.6376 -0.6376 -0.5974 -0.5974 -0.4041 -0.4041 -0.3572 -0.3572 2.1574 2.1574 2.1612 2.1612 5.0374 5.0374 5.0550 5.0550 9.2123 9.2123 9.2208 9.2208 14.8890 14.8891 k = 0.5000-0.1665 0.4946 ( 7204 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1521 -1.1521 -1.1276 -1.1276 -1.0761 -1.0761 -1.0588 -1.0588 -0.7317 -0.7317 -0.6782 -0.6782 -0.6403 -0.6403 -0.5984 -0.5984 -0.4040 -0.4040 -0.3540 -0.3540 2.1640 2.1640 2.1681 2.1681 5.0030 5.0030 5.0219 5.0219 9.3084 9.3084 9.3174 9.3174 14.6919 14.6919 k = 0.5000-0.1554 0.5025 ( 7204 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1549 -1.1549 -1.1294 -1.1294 -1.0742 -1.0742 -1.0543 -1.0543 -0.7353 -0.7353 -0.6762 -0.6762 -0.6427 -0.6427 -0.5998 -0.5998 -0.4037 -0.4037 -0.3510 -0.3510 2.1709 2.1709 2.1754 2.1754 4.9684 4.9684 4.9885 4.9885 9.4108 9.4108 9.4201 9.4201 14.4943 14.4944 k = 0.5000-0.1443 0.5103 ( 7202 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1576 -1.1576 -1.1312 -1.1312 -1.0724 -1.0724 -1.0499 -1.0499 -0.7390 -0.7390 -0.6741 -0.6741 -0.6450 -0.6450 -0.6016 -0.6016 -0.4033 -0.4033 -0.3480 -0.3480 2.1780 2.1780 2.1829 2.1829 4.9340 4.9340 4.9552 4.9552 9.5186 9.5186 9.5283 9.5283 14.2972 14.2972 k = 0.5000-0.1332 0.5182 ( 7202 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1600 -1.1600 -1.1328 -1.1328 -1.0707 -1.0707 -1.0456 -1.0456 -0.7426 -0.7426 -0.6720 -0.6720 -0.6471 -0.6471 -0.6035 -0.6035 -0.4027 -0.4027 -0.3452 -0.3452 2.1851 2.1851 2.1904 2.1904 4.9002 4.9002 4.9225 4.9225 9.6314 9.6314 9.6413 9.6413 14.1014 14.1014 k = 0.5000-0.1221 0.5260 ( 7202 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1623 -1.1623 -1.1344 -1.1344 -1.0692 -1.0692 -1.0415 -1.0415 -0.7461 -0.7461 -0.6698 -0.6698 -0.6491 -0.6491 -0.6058 -0.6058 -0.4020 -0.4020 -0.3426 -0.3426 2.1923 2.1923 2.1979 2.1979 4.8675 4.8675 4.8907 4.8907 9.7484 9.7484 9.7585 9.7585 13.9078 13.9078 k = 0.5000-0.1110 0.5339 ( 7202 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1644 -1.1644 -1.1358 -1.1358 -1.0677 -1.0677 -1.0376 -1.0376 -0.7496 -0.7496 -0.6676 -0.6676 -0.6508 -0.6508 -0.6082 -0.6082 -0.4012 -0.4012 -0.3401 -0.3401 2.1993 2.1993 2.2053 2.2053 4.8362 4.8362 4.8604 4.8604 9.8689 9.8689 9.8792 9.8792 13.7173 13.7173 k = 0.5000-0.0999 0.5417 ( 7198 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1663 -1.1663 -1.1371 -1.1371 -1.0664 -1.0664 -1.0339 -1.0339 -0.7530 -0.7530 -0.6653 -0.6653 -0.6524 -0.6524 -0.6108 -0.6108 -0.4004 -0.4004 -0.3379 -0.3379 2.2061 2.2061 2.2125 2.2125 4.8068 4.8068 4.8318 4.8318 9.9920 9.9920 10.0024 10.0024 13.5309 13.5309 k = 0.5000-0.0888 0.5496 ( 7202 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1681 -1.1681 -1.1383 -1.1383 -1.0652 -1.0652 -1.0305 -1.0305 -0.7561 -0.7561 -0.6629 -0.6629 -0.6537 -0.6537 -0.6136 -0.6136 -0.3996 -0.3996 -0.3358 -0.3358 2.2126 2.2126 2.2193 2.2193 4.7796 4.7796 4.8053 4.8053 10.1166 10.1166 10.1271 10.1271 13.3496 13.3496 k = 0.5000-0.0777 0.5574 ( 7200 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1696 -1.1696 -1.1394 -1.1394 -1.0641 -1.0641 -1.0274 -1.0274 -0.7591 -0.7591 -0.6605 -0.6605 -0.6549 -0.6549 -0.6164 -0.6164 -0.3989 -0.3989 -0.3340 -0.3340 2.2186 2.2186 2.2256 2.2256 4.7549 4.7549 4.7811 4.7811 10.2415 10.2415 10.2520 10.2520 13.1748 13.1748 k = 0.5000-0.0666 0.5653 ( 7204 PWs) bands (ev): -39.8333 -39.8333 -39.8332 -39.8332 -1.1709 -1.1709 -1.1403 -1.1403 -1.0631 -1.0631 -1.0246 -1.0246 -0.7617 -0.7617 -0.6580 -0.6580 -0.6560 -0.6560 -0.6193 -0.6193 -0.3981 -0.3981 -0.3323 -0.3323 2.2241 2.2241 2.2313 2.2313 4.7328 4.7328 4.7597 4.7597 10.3646 10.3646 10.3752 10.3752 13.0083 13.0083 k = 0.5000-0.0555 0.5731 ( 7196 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1720 -1.1720 -1.1411 -1.1411 -1.0623 -1.0623 -1.0222 -1.0222 -0.7640 -0.7640 -0.6568 -0.6568 -0.6555 -0.6555 -0.6222 -0.6222 -0.3975 -0.3975 -0.3310 -0.3310 2.2289 2.2289 2.2363 2.2363 4.7138 4.7138 4.7411 4.7411 10.4837 10.4837 10.4943 10.4943 12.8527 12.8527 k = 0.5000-0.0444 0.5810 ( 7200 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1729 -1.1729 -1.1417 -1.1417 -1.0617 -1.0617 -1.0201 -1.0201 -0.7660 -0.7660 -0.6575 -0.6575 -0.6530 -0.6530 -0.6250 -0.6250 -0.3969 -0.3969 -0.3298 -0.3298 2.2330 2.2330 2.2406 2.2406 4.6979 4.6979 4.7257 4.7257 10.5950 10.5950 10.6057 10.6057 12.7114 12.7114 k = 0.5000-0.0333 0.5888 ( 7204 PWs) bands (ev): -39.8333 -39.8333 -39.8332 -39.8332 -1.1737 -1.1737 -1.1422 -1.1422 -1.0612 -1.0612 -1.0185 -1.0185 -0.7676 -0.7676 -0.6581 -0.6581 -0.6506 -0.6506 -0.6277 -0.6277 -0.3965 -0.3965 -0.3289 -0.3289 2.2362 2.2362 2.2440 2.2440 4.6854 4.6854 4.7135 4.7135 10.6938 10.6938 10.7044 10.7044 12.5894 12.5894 k = 0.5000-0.0222 0.5967 ( 7210 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1742 -1.1742 -1.1426 -1.1426 -1.0608 -1.0608 -1.0173 -1.0173 -0.7687 -0.7687 -0.6585 -0.6585 -0.6484 -0.6484 -0.6301 -0.6301 -0.3962 -0.3962 -0.3283 -0.3283 2.2386 2.2386 2.2465 2.2465 4.6764 4.6764 4.7046 4.7046 10.7732 10.7732 10.7839 10.7839 12.4933 12.4933 k = 0.5000-0.0111 0.6045 ( 7228 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1745 -1.1745 -1.1428 -1.1428 -1.0606 -1.0606 -1.0166 -1.0166 -0.7694 -0.7694 -0.6587 -0.6587 -0.6468 -0.6468 -0.6319 -0.6319 -0.3960 -0.3960 -0.3279 -0.3279 2.2400 2.2400 2.2480 2.2480 4.6709 4.6709 4.6993 4.6993 10.8256 10.8256 10.8363 10.8363 12.4310 12.4310 k = 0.5000 0.0000 0.6124 ( 7228 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1746 -1.1746 -1.1429 -1.1429 -1.0605 -1.0605 -1.0164 -1.0164 -0.7697 -0.7697 -0.6588 -0.6588 -0.6461 -0.6461 -0.6326 -0.6326 -0.3959 -0.3959 -0.3278 -0.3278 2.2405 2.2405 2.2485 2.2485 4.6691 4.6691 4.6975 4.6975 10.8440 10.8440 10.8548 10.8548 12.4092 12.4092 k = 0.5000 0.0000 0.6124 ( 7228 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1746 -1.1746 -1.1429 -1.1429 -1.0605 -1.0605 -1.0164 -1.0164 -0.7697 -0.7697 -0.6588 -0.6588 -0.6461 -0.6461 -0.6326 -0.6326 -0.3959 -0.3959 -0.3278 -0.3278 2.2405 2.2405 2.2485 2.2485 4.6691 4.6691 4.6975 4.6975 10.8440 10.8440 10.8548 10.8548 12.4092 12.4092 k = 0.4931 0.0120 0.6124 ( 7228 PWs) bands (ev): -39.8336 -39.8336 -39.8329 -39.8329 -1.1745 -1.1745 -1.1428 -1.1428 -1.0606 -1.0606 -1.0165 -1.0165 -0.7696 -0.7696 -0.6593 -0.6593 -0.6462 -0.6462 -0.6318 -0.6318 -0.3960 -0.3960 -0.3279 -0.3279 2.1938 2.1938 2.2941 2.2941 4.6434 4.6434 4.7282 4.7282 10.7829 10.7829 10.8954 10.8954 12.3859 12.3859 k = 0.4861 0.0241 0.6124 ( 7216 PWs) bands (ev): -39.8340 -39.8340 -39.8326 -39.8326 -1.1743 -1.1743 -1.1427 -1.1427 -1.0608 -1.0608 -1.0170 -1.0170 -0.7694 -0.7694 -0.6609 -0.6609 -0.6463 -0.6463 -0.6299 -0.6299 -0.3962 -0.3962 -0.3282 -0.3282 2.1465 2.1465 2.3383 2.3383 4.6090 4.6090 4.7774 4.7774 10.6848 10.6848 10.9352 10.9352 12.3979 12.3979 k = 0.4792 0.0361 0.6124 ( 7211 PWs) bands (ev): -39.8343 -39.8343 -39.8322 -39.8322 -1.1739 -1.1739 -1.1424 -1.1424 -1.0611 -1.0611 -1.0178 -1.0178 -0.7690 -0.7690 -0.6631 -0.6631 -0.6464 -0.6464 -0.6272 -0.6272 -0.3965 -0.3965 -0.3286 -0.3286 2.1021 2.1021 2.3775 2.3775 4.5757 4.5757 4.8350 4.8350 10.5615 10.5615 10.9693 10.9693 12.4417 12.4417 k = 0.4722 0.0481 0.6124 ( 7207 PWs) bands (ev): -39.8346 -39.8346 -39.8319 -39.8319 -1.1734 -1.1734 -1.1420 -1.1420 -1.0616 -1.0616 -1.0188 -1.0188 -0.7684 -0.7684 -0.6658 -0.6658 -0.6463 -0.6463 -0.6241 -0.6241 -0.3970 -0.3970 -0.3292 -0.3292 2.0608 2.0608 2.4117 2.4117 4.5441 4.5441 4.8998 4.8998 10.4211 10.4211 10.9980 10.9980 12.5101 12.5101 k = 0.4653 0.0601 0.6124 ( 7211 PWs) bands (ev): -39.8349 -39.8349 -39.8316 -39.8316 -1.1728 -1.1728 -1.1414 -1.1414 -1.0624 -1.0624 -1.0201 -1.0201 -0.7677 -0.7677 -0.6687 -0.6687 -0.6461 -0.6461 -0.6209 -0.6209 -0.3975 -0.3975 -0.3298 -0.3298 2.0226 2.0226 2.4412 2.4412 4.5144 4.5144 4.9708 4.9708 10.2701 10.2701 11.0218 11.0218 12.5968 12.5968 k = 0.4583 0.0722 0.6124 ( 7203 PWs) bands (ev): -39.8351 -39.8351 -39.8314 -39.8314 -1.1721 -1.1721 -1.1406 -1.1406 -1.0633 -1.0633 -1.0215 -1.0215 -0.7668 -0.7668 -0.6718 -0.6718 -0.6458 -0.6458 -0.6175 -0.6175 -0.3982 -0.3982 -0.3306 -0.3306 1.9873 1.9873 2.4664 2.4664 4.4868 4.4868 5.0472 5.0472 10.1137 10.1137 11.0412 11.0412 12.6971 12.6971 k = 0.4514 0.0842 0.6124 ( 7201 PWs) bands (ev): -39.8354 -39.8354 -39.8311 -39.8311 -1.1714 -1.1714 -1.1397 -1.1397 -1.0644 -1.0644 -1.0231 -1.0231 -0.7658 -0.7658 -0.6749 -0.6749 -0.6453 -0.6453 -0.6143 -0.6143 -0.3989 -0.3989 -0.3314 -0.3314 1.9550 1.9550 2.4878 2.4878 4.4611 4.4611 5.1278 5.1278 9.9560 9.9560 11.0569 11.0569 12.8075 12.8075 k = 0.4444 0.0962 0.6124 ( 7207 PWs) bands (ev): -39.8356 -39.8356 -39.8309 -39.8309 -1.1707 -1.1707 -1.1384 -1.1384 -1.0658 -1.0658 -1.0247 -1.0247 -0.7647 -0.7647 -0.6780 -0.6780 -0.6447 -0.6447 -0.6111 -0.6111 -0.3997 -0.3997 -0.3321 -0.3321 1.9256 1.9256 2.5056 2.5056 4.4376 4.4376 5.2114 5.2114 9.7998 9.7998 11.0694 11.0694 12.9256 12.9256 k = 0.4375 0.1083 0.6124 ( 7205 PWs) bands (ev): -39.8358 -39.8358 -39.8307 -39.8307 -1.1701 -1.1701 -1.1370 -1.1370 -1.0675 -1.0675 -1.0263 -1.0263 -0.7634 -0.7634 -0.6811 -0.6811 -0.6442 -0.6442 -0.6081 -0.6081 -0.4006 -0.4006 -0.3329 -0.3329 1.8991 1.8991 2.5204 2.5204 4.4162 4.4162 5.2965 5.2965 9.6479 9.6479 11.0792 11.0792 13.0496 13.0496 k = 0.4306 0.1203 0.6124 ( 7211 PWs) bands (ev): -39.8360 -39.8360 -39.8305 -39.8305 -1.1695 -1.1695 -1.1353 -1.1353 -1.0694 -1.0694 -1.0278 -1.0278 -0.7621 -0.7621 -0.6840 -0.6840 -0.6436 -0.6436 -0.6053 -0.6053 -0.4014 -0.4014 -0.3337 -0.3337 1.8754 1.8754 2.5325 2.5325 4.3970 4.3970 5.3816 5.3816 9.5024 9.5024 11.0869 11.0869 13.1780 13.1780 k = 0.4236 0.1323 0.6124 ( 7211 PWs) bands (ev): -39.8362 -39.8362 -39.8303 -39.8303 -1.1689 -1.1689 -1.1334 -1.1334 -1.0715 -1.0715 -1.0292 -1.0292 -0.7608 -0.7608 -0.6868 -0.6868 -0.6430 -0.6430 -0.6028 -0.6028 -0.4023 -0.4023 -0.3344 -0.3344 1.8547 1.8547 2.5423 2.5423 4.3800 4.3800 5.4648 5.4648 9.3656 9.3656 11.0928 11.0928 13.3094 13.3094 k = 0.4167 0.1443 0.6124 ( 7216 PWs) bands (ev): -39.8363 -39.8363 -39.8302 -39.8302 -1.1685 -1.1685 -1.1313 -1.1313 -1.0738 -1.0738 -1.0304 -1.0304 -0.7594 -0.7594 -0.6893 -0.6893 -0.6424 -0.6424 -0.6005 -0.6005 -0.4031 -0.4031 -0.3350 -0.3350 1.8367 1.8367 2.5501 2.5501 4.3652 4.3652 5.5441 5.5441 9.2396 9.2396 11.0973 11.0973 13.4424 13.4424 k = 0.4097 0.1564 0.6124 ( 7219 PWs) bands (ev): -39.8365 -39.8365 -39.8301 -39.8301 -1.1681 -1.1681 -1.1292 -1.1292 -1.0762 -1.0762 -1.0315 -1.0315 -0.7582 -0.7582 -0.6916 -0.6916 -0.6419 -0.6419 -0.5985 -0.5985 -0.4039 -0.4039 -0.3356 -0.3356 1.8216 1.8216 2.5562 2.5562 4.3526 4.3526 5.6174 5.6174 9.1269 9.1269 11.1007 11.1007 13.5752 13.5752 k = 0.4028 0.1684 0.6124 ( 7213 PWs) bands (ev): -39.8366 -39.8366 -39.8300 -39.8300 -1.1678 -1.1678 -1.1271 -1.1271 -1.0785 -1.0785 -1.0323 -1.0323 -0.7570 -0.7570 -0.6936 -0.6936 -0.6414 -0.6414 -0.5968 -0.5968 -0.4045 -0.4045 -0.3360 -0.3360 1.8092 1.8092 2.5609 2.5609 4.3423 4.3423 5.6822 5.6822 9.0299 9.0299 11.1032 11.1032 13.7049 13.7049 k = 0.3958 0.1804 0.6124 ( 7207 PWs) bands (ev): -39.8366 -39.8366 -39.8299 -39.8299 -1.1676 -1.1676 -1.1251 -1.1251 -1.0807 -1.0807 -1.0330 -1.0330 -0.7560 -0.7560 -0.6952 -0.6952 -0.6411 -0.6411 -0.5955 -0.5955 -0.4051 -0.4051 -0.3364 -0.3364 1.7996 1.7996 2.5644 2.5644 4.3343 4.3343 5.7360 5.7360 8.9510 8.9510 11.1049 11.1049 13.8243 13.8243 k = 0.3889 0.1925 0.6124 ( 7201 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1674 -1.1674 -1.1235 -1.1235 -1.0824 -1.0824 -1.0334 -1.0334 -0.7553 -0.7553 -0.6964 -0.6964 -0.6408 -0.6408 -0.5945 -0.5945 -0.4055 -0.4055 -0.3367 -0.3367 1.7927 1.7927 2.5667 2.5667 4.3286 4.3286 5.7765 5.7765 8.8926 8.8926 11.1061 11.1061 13.9025 13.9025 k = 0.3819 0.2045 0.6124 ( 7201 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1673 -1.1673 -1.1224 -1.1224 -1.0836 -1.0836 -1.0337 -1.0337 -0.7548 -0.7548 -0.6972 -0.6972 -0.6406 -0.6406 -0.5939 -0.5939 -0.4057 -0.4057 -0.3368 -0.3368 1.7886 1.7886 2.5681 2.5681 4.3251 4.3251 5.8018 5.8018 8.8566 8.8566 11.1067 11.1067 13.9526 13.9526 k = 0.3750 0.2165 0.6124 ( 7184 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1673 -1.1673 -1.1221 -1.1221 -1.0840 -1.0840 -1.0338 -1.0338 -0.7547 -0.7547 -0.6974 -0.6974 -0.6406 -0.6406 -0.5937 -0.5937 -0.4058 -0.4058 -0.3369 -0.3369 1.7872 1.7872 2.5685 2.5685 4.3240 4.3240 5.8103 5.8103 8.8445 8.8445 11.1069 11.1069 13.9703 13.9703 k = 0.3750 0.2165 0.6124 ( 7184 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1673 -1.1673 -1.1221 -1.1221 -1.0840 -1.0840 -1.0338 -1.0338 -0.7547 -0.7547 -0.6974 -0.6974 -0.6406 -0.6406 -0.5937 -0.5937 -0.4058 -0.4058 -0.3369 -0.3369 1.7872 1.7872 2.5685 2.5685 4.3240 4.3240 5.8103 5.8103 8.8445 8.8445 11.1069 11.1069 13.9703 13.9703 k = 0.3681 0.2125 0.6010 ( 7202 PWs) bands (ev): -39.8371 -39.8371 -39.8294 -39.8294 -1.1678 -1.1678 -1.1237 -1.1237 -1.0824 -1.0824 -1.0326 -1.0326 -0.7580 -0.7580 -0.7012 -0.7012 -0.6384 -0.6384 -0.5937 -0.5937 -0.4054 -0.4054 -0.3360 -0.3360 1.7326 1.7326 2.6211 2.6211 4.3009 4.3009 5.8729 5.8729 8.8603 8.8603 11.3055 11.3055 13.8212 13.8212 k = 0.3611 0.2085 0.5897 ( 7202 PWs) bands (ev): -39.8375 -39.8375 -39.8290 -39.8290 -1.1680 -1.1680 -1.1255 -1.1255 -1.0807 -1.0807 -1.0317 -1.0317 -0.7612 -0.7612 -0.7052 -0.7052 -0.6362 -0.6362 -0.5935 -0.5935 -0.4050 -0.4050 -0.3355 -0.3355 1.6733 1.6733 2.6768 2.6768 4.2858 4.2858 5.9385 5.9385 8.8771 8.8771 11.5042 11.5042 13.6739 13.6739 k = 0.3542 0.2045 0.5784 ( 7198 PWs) bands (ev): -39.8379 -39.8379 -39.8286 -39.8286 -1.1679 -1.1679 -1.1273 -1.1273 -1.0790 -1.0790 -1.0313 -1.0313 -0.7643 -0.7643 -0.7092 -0.7092 -0.6340 -0.6340 -0.5930 -0.5930 -0.4045 -0.4045 -0.3354 -0.3354 1.6096 1.6096 2.7356 2.7356 4.2786 4.2786 6.0071 6.0071 8.8949 8.8949 11.7017 11.7017 13.5285 13.5285 k = 0.3472 0.2005 0.5670 ( 7206 PWs) bands (ev): -39.8383 -39.8383 -39.8282 -39.8282 -1.1675 -1.1675 -1.1292 -1.1292 -1.0773 -1.0773 -1.0312 -1.0312 -0.7673 -0.7673 -0.7133 -0.7133 -0.6319 -0.6319 -0.5921 -0.5921 -0.4041 -0.4041 -0.3357 -0.3357 1.5420 1.5420 2.7975 2.7975 4.2792 4.2792 6.0788 6.0788 8.9138 8.9138 11.8965 11.8965 13.3852 13.3852 k = 0.3403 0.1965 0.5557 ( 7212 PWs) bands (ev): -39.8387 -39.8387 -39.8278 -39.8278 -1.1669 -1.1669 -1.1311 -1.1311 -1.0757 -1.0757 -1.0316 -1.0316 -0.7702 -0.7702 -0.7175 -0.7175 -0.6301 -0.6301 -0.5908 -0.5908 -0.4037 -0.4037 -0.3364 -0.3364 1.4709 1.4709 2.8627 2.8627 4.2872 4.2872 6.1534 6.1534 8.9338 8.9338 12.0864 12.0864 13.2440 13.2440 k = 0.3333 0.1925 0.5443 ( 7212 PWs) bands (ev): -39.8392 -39.8392 -39.8273 -39.8273 -1.1660 -1.1660 -1.1330 -1.1330 -1.0740 -1.0740 -1.0323 -1.0323 -0.7730 -0.7730 -0.7216 -0.7216 -0.6286 -0.6286 -0.5890 -0.5890 -0.4034 -0.4034 -0.3375 -0.3375 1.3967 1.3967 2.9310 2.9310 4.3025 4.3025 6.2309 6.2309 8.9549 8.9549 12.2691 12.2691 13.1051 13.1051 k = 0.3264 0.1884 0.5330 ( 7212 PWs) bands (ev): -39.8396 -39.8396 -39.8269 -39.8269 -1.1648 -1.1648 -1.1349 -1.1349 -1.0724 -1.0724 -1.0334 -1.0334 -0.7756 -0.7756 -0.7258 -0.7258 -0.6274 -0.6274 -0.5867 -0.5867 -0.4032 -0.4032 -0.3389 -0.3389 1.3199 1.3199 3.0026 3.0026 4.3246 4.3246 6.3113 6.3113 8.9770 8.9770 12.4414 12.4414 12.9685 12.9685 k = 0.3194 0.1844 0.5217 ( 7196 PWs) bands (ev): -39.8401 -39.8401 -39.8264 -39.8264 -1.1634 -1.1634 -1.1369 -1.1369 -1.0708 -1.0708 -1.0348 -1.0348 -0.7781 -0.7781 -0.7300 -0.7300 -0.6266 -0.6266 -0.5840 -0.5840 -0.4031 -0.4031 -0.3407 -0.3407 1.2411 1.2411 3.0773 3.0773 4.3532 4.3532 6.3945 6.3945 9.0003 9.0003 12.5998 12.5998 12.8343 12.8343 k = 0.3125 0.1804 0.5103 ( 7200 PWs) bands (ev): -39.8406 -39.8406 -39.8259 -39.8259 -1.1618 -1.1618 -1.1389 -1.1389 -1.0692 -1.0692 -1.0365 -1.0365 -0.7804 -0.7804 -0.7343 -0.7343 -0.6260 -0.6260 -0.5808 -0.5808 -0.4031 -0.4031 -0.3429 -0.3429 1.1606 1.1606 3.1553 3.1553 4.3880 4.3880 6.4804 6.4804 9.0246 9.0246 12.7011 12.7011 12.7405 12.7405 k = 0.3056 0.1764 0.4990 ( 7218 PWs) bands (ev): -39.8411 -39.8411 -39.8255 -39.8255 -1.1600 -1.1600 -1.1408 -1.1408 -1.0678 -1.0678 -1.0385 -1.0385 -0.7826 -0.7826 -0.7385 -0.7385 -0.6257 -0.6257 -0.5772 -0.5772 -0.4032 -0.4032 -0.3453 -0.3453 1.0789 1.0789 3.2364 3.2364 4.4287 4.4287 6.5691 6.5691 9.0502 9.0502 12.5728 12.5728 12.6715 12.6715 k = 0.2986 0.1724 0.4876 ( 7202 PWs) bands (ev): -39.8416 -39.8416 -39.8250 -39.8250 -1.1580 -1.1580 -1.1427 -1.1427 -1.0664 -1.0664 -1.0408 -1.0408 -0.7847 -0.7847 -0.7427 -0.7427 -0.6256 -0.6256 -0.5735 -0.5735 -0.4036 -0.4036 -0.3479 -0.3479 0.9964 0.9964 3.3208 3.3208 4.4748 4.4748 6.6605 6.6605 9.0768 9.0768 12.4460 12.4460 12.5487 12.5487 k = 0.2917 0.1684 0.4763 ( 7198 PWs) bands (ev): -39.8421 -39.8421 -39.8245 -39.8245 -1.1558 -1.1558 -1.1446 -1.1446 -1.0652 -1.0652 -1.0431 -1.0431 -0.7866 -0.7866 -0.7470 -0.7470 -0.6257 -0.6257 -0.5695 -0.5695 -0.4042 -0.4042 -0.3507 -0.3507 0.9136 0.9136 3.4084 3.4084 4.5263 4.5263 6.7545 6.7545 9.1046 9.1046 12.3218 12.3218 12.4283 12.4283 k = 0.2847 0.1644 0.4649 ( 7198 PWs) bands (ev): -39.8426 -39.8426 -39.8240 -39.8240 -1.1536 -1.1536 -1.1464 -1.1464 -1.0642 -1.0642 -1.0456 -1.0456 -0.7884 -0.7884 -0.7512 -0.7512 -0.6258 -0.6258 -0.5654 -0.5654 -0.4051 -0.4051 -0.3537 -0.3537 0.8307 0.8307 3.4992 3.4992 4.5827 4.5827 6.8510 6.8510 9.1336 9.1336 12.2001 12.2001 12.3108 12.3108 k = 0.2778 0.1604 0.4536 ( 7202 PWs) bands (ev): -39.8431 -39.8431 -39.8235 -39.8235 -1.1512 -1.1512 -1.1481 -1.1481 -1.0634 -1.0634 -1.0481 -1.0481 -0.7901 -0.7901 -0.7554 -0.7554 -0.6260 -0.6260 -0.5613 -0.5613 -0.4063 -0.4063 -0.3567 -0.3567 0.7482 0.7482 3.5932 3.5932 4.6438 4.6438 6.9500 6.9500 9.1636 9.1636 12.0811 12.0811 12.1961 12.1961 k = 0.2708 0.1564 0.4423 ( 7203 PWs) bands (ev): -39.8436 -39.8436 -39.8230 -39.8230 -1.1503 -1.1503 -1.1482 -1.1482 -1.0631 -1.0631 -1.0504 -1.0504 -0.7918 -0.7918 -0.7597 -0.7597 -0.6262 -0.6262 -0.5571 -0.5571 -0.4079 -0.4079 -0.3596 -0.3596 0.6663 0.6663 3.6904 3.6904 4.7094 4.7094 7.0515 7.0515 9.1949 9.1949 11.9647 11.9647 12.0843 12.0843 k = 0.2639 0.1524 0.4309 ( 7199 PWs) bands (ev): -39.8441 -39.8441 -39.8225 -39.8225 -1.1517 -1.1517 -1.1458 -1.1458 -1.0635 -1.0635 -1.0522 -1.0522 -0.7935 -0.7935 -0.7638 -0.7638 -0.6264 -0.6264 -0.5531 -0.5531 -0.4099 -0.4099 -0.3625 -0.3625 0.5853 0.5853 3.7908 3.7908 4.7793 4.7793 7.1553 7.1553 9.2272 9.2272 11.8510 11.8510 11.9755 11.9755 k = 0.2569 0.1483 0.4196 ( 7203 PWs) bands (ev): -39.8446 -39.8446 -39.8219 -39.8219 -1.1532 -1.1532 -1.1432 -1.1432 -1.0649 -1.0649 -1.0532 -1.0532 -0.7954 -0.7954 -0.7678 -0.7678 -0.6266 -0.6266 -0.5492 -0.5492 -0.4123 -0.4123 -0.3651 -0.3651 0.5054 0.5054 3.8944 3.8944 4.8534 4.8534 7.2613 7.2613 9.2606 9.2606 11.7400 11.7400 11.8698 11.8698 k = 0.2500 0.1443 0.4082 ( 7205 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1546 -1.1546 -1.1405 -1.1405 -1.0672 -1.0672 -1.0535 -1.0535 -0.7975 -0.7975 -0.7717 -0.7717 -0.6267 -0.6267 -0.5455 -0.5455 -0.4151 -0.4151 -0.3676 -0.3676 0.4270 0.4270 4.0011 4.0011 4.9314 4.9314 7.3696 7.3696 9.2952 9.2952 11.6317 11.6317 11.7672 11.7672 k = 0.2431 0.1403 0.3969 ( 7205 PWs) bands (ev): -39.8457 -39.8457 -39.8209 -39.8209 -1.1560 -1.1560 -1.1378 -1.1378 -1.0700 -1.0700 -1.0534 -1.0534 -0.8000 -0.8000 -0.7752 -0.7752 -0.6269 -0.6269 -0.5420 -0.5420 -0.4183 -0.4183 -0.3699 -0.3699 0.3503 0.3503 4.1110 4.1110 5.0133 5.0133 7.4800 7.4800 9.3307 9.3307 11.5261 11.5261 11.6679 11.6679 k = 0.2361 0.1363 0.3856 ( 7205 PWs) bands (ev): -39.8462 -39.8462 -39.8204 -39.8204 -1.1572 -1.1572 -1.1352 -1.1352 -1.0731 -1.0731 -1.0531 -1.0531 -0.8032 -0.8032 -0.7783 -0.7783 -0.6270 -0.6270 -0.5389 -0.5389 -0.4219 -0.4219 -0.3719 -0.3719 0.2755 0.2755 4.2240 4.2240 5.0989 5.0989 7.5923 7.5923 9.3673 9.3673 11.4234 11.4234 11.5718 11.5718 k = 0.2292 0.1323 0.3742 ( 7203 PWs) bands (ev): -39.8467 -39.8467 -39.8199 -39.8199 -1.1582 -1.1582 -1.1326 -1.1326 -1.0764 -1.0764 -1.0528 -1.0528 -0.8071 -0.8071 -0.7810 -0.7810 -0.6271 -0.6271 -0.5362 -0.5362 -0.4257 -0.4257 -0.3737 -0.3737 0.2029 0.2029 4.3401 4.3401 5.1880 5.1880 7.7065 7.7065 9.4049 9.4049 11.3234 11.3234 11.4792 11.4792 k = 0.2222 0.1283 0.3629 ( 7211 PWs) bands (ev): -39.8473 -39.8473 -39.8194 -39.8194 -1.1592 -1.1592 -1.1301 -1.1301 -1.0797 -1.0797 -1.0525 -1.0525 -0.8118 -0.8118 -0.7832 -0.7832 -0.6272 -0.6272 -0.5341 -0.5341 -0.4296 -0.4296 -0.3753 -0.3753 0.1327 0.1327 4.4593 4.4593 5.2806 5.2806 7.8224 7.8224 9.4434 9.4434 11.2262 11.2262 11.3901 11.3901 k = 0.2153 0.1243 0.3515 ( 7215 PWs) bands (ev): -39.8478 -39.8478 -39.8189 -39.8189 -1.1600 -1.1600 -1.1277 -1.1277 -1.0830 -1.0830 -1.0523 -1.0523 -0.8174 -0.8174 -0.7851 -0.7851 -0.6272 -0.6272 -0.5325 -0.5325 -0.4335 -0.4335 -0.3768 -0.3768 0.0653 0.0653 4.5816 4.5816 5.3766 5.3766 7.9398 7.9398 9.4827 9.4827 11.1318 11.1319 11.3047 11.3047 k = 0.2083 0.1203 0.3402 ( 7225 PWs) bands (ev): -39.8483 -39.8483 -39.8184 -39.8184 -1.1606 -1.1606 -1.1255 -1.1255 -1.0862 -1.0862 -1.0521 -1.0521 -0.8239 -0.8239 -0.7867 -0.7867 -0.6272 -0.6272 -0.5318 -0.5318 -0.4374 -0.4374 -0.3782 -0.3782 0.0010 0.0010 4.7069 4.7069 5.4759 5.4759 8.0585 8.0585 9.5228 9.5228 11.0403 11.0403 11.2232 11.2232 k = 0.2014 0.1163 0.3289 ( 7233 PWs) bands (ev): -39.8488 -39.8488 -39.8179 -39.8179 -1.1611 -1.1611 -1.1235 -1.1235 -1.0893 -1.0893 -1.0521 -1.0521 -0.8313 -0.8313 -0.7883 -0.7883 -0.6272 -0.6272 -0.5320 -0.5320 -0.4409 -0.4409 -0.3795 -0.3795 -0.0600 -0.0600 4.8353 4.8353 5.5784 5.5784 8.1783 8.1783 9.5636 9.5636 10.9517 10.9517 11.1457 11.1457 k = 0.1944 0.1123 0.3175 ( 7225 PWs) bands (ev): -39.8493 -39.8493 -39.8174 -39.8174 -1.1614 -1.1614 -1.1219 -1.1219 -1.0921 -1.0921 -1.0522 -1.0522 -0.8398 -0.8398 -0.7898 -0.7898 -0.6272 -0.6272 -0.5332 -0.5332 -0.4441 -0.4441 -0.3807 -0.3807 -0.1171 -0.1171 4.9666 4.9666 5.6840 5.6840 8.2988 8.2988 9.6050 9.6050 10.8659 10.8659 11.0725 11.0725 k = 0.1875 0.1083 0.3062 ( 7225 PWs) bands (ev): -39.8498 -39.8498 -39.8169 -39.8169 -1.1616 -1.1616 -1.1207 -1.1207 -1.0946 -1.0946 -1.0524 -1.0524 -0.8493 -0.8493 -0.7916 -0.7916 -0.6273 -0.6273 -0.5356 -0.5356 -0.4470 -0.4470 -0.3820 -0.3820 -0.1700 -0.1700 5.1010 5.1010 5.7926 5.7926 8.4196 8.4196 9.6469 9.6469 10.7829 10.7829 11.0041 11.0041 k = 0.1806 0.1042 0.2948 ( 7235 PWs) bands (ev): -39.8503 -39.8503 -39.8165 -39.8165 -1.1617 -1.1617 -1.1200 -1.1200 -1.0967 -1.0967 -1.0528 -1.0528 -0.8602 -0.8602 -0.7936 -0.7936 -0.6274 -0.6274 -0.5393 -0.5393 -0.4494 -0.4494 -0.3832 -0.3832 -0.2181 -0.2181 5.2382 5.2382 5.9042 5.9042 8.5403 8.5403 9.6892 9.6892 10.7029 10.7029 10.9407 10.9407 k = 0.1736 0.1002 0.2835 ( 7231 PWs) bands (ev): -39.8507 -39.8507 -39.8160 -39.8160 -1.1616 -1.1616 -1.1200 -1.1200 -1.0981 -1.0981 -1.0533 -1.0533 -0.8725 -0.8725 -0.7959 -0.7959 -0.6275 -0.6275 -0.5443 -0.5443 -0.4514 -0.4514 -0.3844 -0.3844 -0.2611 -0.2611 5.3784 5.3784 6.0187 6.0187 8.6603 8.6603 9.7316 9.7316 10.6258 10.6258 10.8830 10.8830 k = 0.1667 0.0962 0.2722 ( 7235 PWs) bands (ev): -39.8512 -39.8512 -39.8156 -39.8156 -1.1613 -1.1613 -1.1208 -1.1208 -1.0991 -1.0991 -1.0539 -1.0539 -0.8864 -0.8864 -0.7986 -0.7986 -0.6277 -0.6277 -0.5505 -0.5505 -0.4533 -0.4533 -0.3857 -0.3857 -0.2984 -0.2984 5.5215 5.5215 6.1361 6.1361 8.7787 8.7787 9.7741 9.7741 10.5516 10.5516 10.8317 10.8317 k = 0.1597 0.0922 0.2608 ( 7227 PWs) bands (ev): -39.8517 -39.8517 -39.8151 -39.8151 -1.1610 -1.1610 -1.1221 -1.1221 -1.0995 -1.0995 -1.0548 -1.0548 -0.9021 -0.9021 -0.8017 -0.8017 -0.6280 -0.6280 -0.5578 -0.5578 -0.4551 -0.4551 -0.3870 -0.3870 -0.3298 -0.3298 5.6675 5.6675 6.2562 6.2562 8.8946 8.8946 9.8165 9.8165 10.4804 10.4804 10.7876 10.7876 k = 0.1528 0.0882 0.2495 ( 7231 PWs) bands (ev): -39.8521 -39.8521 -39.8147 -39.8147 -1.1605 -1.1605 -1.1241 -1.1241 -1.0996 -1.0996 -1.0558 -1.0558 -0.9196 -0.9196 -0.8052 -0.8052 -0.6284 -0.6284 -0.5657 -0.5657 -0.4572 -0.4572 -0.3884 -0.3884 -0.3552 -0.3552 5.8163 5.8163 6.3791 6.3791 9.0067 9.0067 9.8585 9.8585 10.4121 10.4121 10.7519 10.7519 k = 0.1458 0.0842 0.2381 ( 7239 PWs) bands (ev): -39.8525 -39.8525 -39.8143 -39.8143 -1.1600 -1.1600 -1.1265 -1.1265 -1.0997 -1.0997 -1.0571 -1.0571 -0.9386 -0.9386 -0.8092 -0.8092 -0.6289 -0.6289 -0.5738 -0.5738 -0.4597 -0.4597 -0.3900 -0.3900 -0.3746 -0.3746 5.9678 5.9678 6.5046 6.5046 9.1135 9.1135 9.9000 9.9000 10.3467 10.3467 10.7260 10.7260 k = 0.1389 0.0802 0.2268 ( 7237 PWs) bands (ev): -39.8529 -39.8529 -39.8139 -39.8139 -1.1596 -1.1596 -1.1293 -1.1293 -1.0998 -1.0998 -1.0587 -1.0587 -0.9588 -0.9588 -0.8134 -0.8134 -0.6295 -0.6295 -0.5817 -0.5817 -0.4628 -0.4628 -0.3931 -0.3931 -0.3873 -0.3873 6.1222 6.1222 6.6327 6.6327 9.2132 9.2132 9.9407 9.9407 10.2844 10.2844 10.7117 10.7117 k = 0.1319 0.0762 0.2155 ( 7227 PWs) bands (ev): -39.8533 -39.8533 -39.8135 -39.8135 -1.1593 -1.1593 -1.1324 -1.1324 -1.1003 -1.1003 -1.0605 -1.0605 -0.9794 -0.9794 -0.8180 -0.8180 -0.6302 -0.6302 -0.5890 -0.5890 -0.4665 -0.4665 -0.4005 -0.4005 -0.3912 -0.3912 6.2792 6.2792 6.7633 6.7633 9.3035 9.3035 9.9803 9.9803 10.2250 10.2250 10.7109 10.7109 k = 0.1250 0.0722 0.2041 ( 7211 PWs) bands (ev): -39.8537 -39.8537 -39.8131 -39.8131 -1.1594 -1.1594 -1.1359 -1.1359 -1.1013 -1.1013 -1.0628 -1.0628 -0.9993 -0.9993 -0.8227 -0.8227 -0.6309 -0.6309 -0.5953 -0.5953 -0.4705 -0.4705 -0.4067 -0.4067 -0.3929 -0.3929 6.4388 6.4388 6.8964 6.8964 9.3826 9.3826 10.0184 10.0184 10.1688 10.1688 10.7254 10.7254 k = 0.1181 0.0682 0.1928 ( 7223 PWs) bands (ev): -39.8541 -39.8541 -39.8128 -39.8128 -1.1609 -1.1609 -1.1396 -1.1396 -1.1031 -1.1031 -1.0655 -1.0655 -1.0174 -1.0174 -0.8275 -0.8275 -0.6316 -0.6316 -0.6007 -0.6007 -0.4745 -0.4745 -0.4107 -0.4107 -0.3944 -0.3944 6.6011 6.6011 7.0318 7.0318 9.4486 9.4486 10.0542 10.0542 10.1163 10.1163 10.7568 10.7568 k = 0.1111 0.0642 0.1814 ( 7211 PWs) bands (ev): -39.8544 -39.8544 -39.8124 -39.8124 -1.1651 -1.1651 -1.1427 -1.1427 -1.1059 -1.1059 -1.0686 -1.0686 -1.0321 -1.0321 -0.8324 -0.8324 -0.6322 -0.6322 -0.6051 -0.6051 -0.4783 -0.4783 -0.4131 -0.4131 -0.3959 -0.3959 6.7659 6.7659 7.1696 7.1696 9.5007 9.5007 10.0611 10.0611 10.0937 10.0937 10.8056 10.8056 k = 0.1042 0.0601 0.1701 ( 7223 PWs) bands (ev): -39.8547 -39.8547 -39.8121 -39.8121 -1.1739 -1.1739 -1.1442 -1.1442 -1.1095 -1.1095 -1.0717 -1.0717 -1.0427 -1.0427 -0.8372 -0.8372 -0.6327 -0.6327 -0.6088 -0.6088 -0.4816 -0.4816 -0.4144 -0.4144 -0.3973 -0.3973 6.9332 6.9332 7.3097 7.3097 9.5393 9.5393 10.0160 10.0160 10.1239 10.1239 10.8712 10.8712 k = 0.0972 0.0561 0.1588 ( 7221 PWs) bands (ev): -39.8551 -39.8551 -39.8118 -39.8118 -1.1872 -1.1872 -1.1443 -1.1443 -1.1134 -1.1134 -1.0744 -1.0744 -1.0500 -1.0500 -0.8420 -0.8420 -0.6329 -0.6329 -0.6118 -0.6118 -0.4845 -0.4845 -0.4150 -0.4150 -0.3988 -0.3988 7.1028 7.1028 7.4518 7.4518 9.5655 9.5655 9.9719 9.9719 10.1533 10.1533 10.9518 10.9518 k = 0.0903 0.0521 0.1474 ( 7221 PWs) bands (ev): -39.8553 -39.8553 -39.8115 -39.8115 -1.2037 -1.2037 -1.1436 -1.1436 -1.1169 -1.1169 -1.0763 -1.0763 -1.0551 -1.0551 -0.8466 -0.8466 -0.6329 -0.6329 -0.6143 -0.6143 -0.4868 -0.4868 -0.4152 -0.4152 -0.4002 -0.4002 7.2748 7.2748 7.5961 7.5961 9.5816 9.5816 9.9307 9.9307 10.1797 10.1797 11.0450 11.0450 k = 0.0833 0.0481 0.1361 ( 7229 PWs) bands (ev): -39.8556 -39.8556 -39.8113 -39.8113 -1.2221 -1.2221 -1.1425 -1.1425 -1.1198 -1.1198 -1.0775 -1.0775 -1.0588 -1.0588 -0.8511 -0.8511 -0.6328 -0.6328 -0.6164 -0.6164 -0.4887 -0.4887 -0.4150 -0.4150 -0.4015 -0.4015 7.4489 7.4489 7.7423 7.7423 9.5895 9.5895 9.8924 9.8924 10.2027 10.2027 11.1476 11.1476 k = 0.0764 0.0441 0.1247 ( 7233 PWs) bands (ev): -39.8559 -39.8559 -39.8110 -39.8110 -1.2410 -1.2410 -1.1411 -1.1411 -1.1220 -1.1220 -1.0783 -1.0783 -1.0620 -1.0620 -0.8553 -0.8553 -0.6324 -0.6324 -0.6183 -0.6183 -0.4903 -0.4903 -0.4147 -0.4147 -0.4029 -0.4029 7.6252 7.6252 7.8904 7.8904 9.5916 9.5916 9.8571 9.8571 10.2214 10.2214 11.2037 11.2037 k = 0.0694 0.0401 0.1134 ( 7237 PWs) bands (ev): -39.8561 -39.8561 -39.8108 -39.8108 -1.2596 -1.2596 -1.1396 -1.1396 -1.1237 -1.1237 -1.0787 -1.0787 -1.0646 -1.0646 -0.8593 -0.8593 -0.6319 -0.6319 -0.6199 -0.6199 -0.4914 -0.4914 -0.4144 -0.4144 -0.4042 -0.4042 7.8033 7.8033 8.0403 8.0403 9.5894 9.5894 9.8249 9.8249 10.2351 10.2351 11.0811 11.0811 k = 0.0625 0.0361 0.1021 ( 7257 PWs) bands (ev): -39.8563 -39.8563 -39.8106 -39.8106 -1.2774 -1.2774 -1.1381 -1.1381 -1.1251 -1.1251 -1.0790 -1.0790 -1.0671 -1.0671 -0.8631 -0.8631 -0.6313 -0.6313 -0.6213 -0.6213 -0.4923 -0.4923 -0.4139 -0.4139 -0.4054 -0.4054 7.9831 7.9831 8.1918 8.1918 9.5846 9.5846 9.7957 9.7957 10.2427 10.2427 10.9505 10.9505 k = 0.0556 0.0321 0.0907 ( 7259 PWs) bands (ev): -39.8565 -39.8565 -39.8104 -39.8104 -1.2939 -1.2939 -1.1365 -1.1365 -1.1261 -1.1261 -1.0791 -1.0791 -1.0693 -1.0693 -0.8665 -0.8665 -0.6306 -0.6306 -0.6225 -0.6225 -0.4929 -0.4929 -0.4135 -0.4135 -0.4065 -0.4065 8.1644 8.1644 8.3447 8.3447 9.5782 9.5782 9.7695 9.7695 10.2426 10.2426 10.8149 10.8149 k = 0.0486 0.0281 0.0794 ( 7259 PWs) bands (ev): -39.8567 -39.8567 -39.8103 -39.8103 -1.3089 -1.3089 -1.1350 -1.1350 -1.1269 -1.1269 -1.0792 -1.0792 -1.0713 -1.0713 -0.8696 -0.8696 -0.6299 -0.6299 -0.6236 -0.6236 -0.4933 -0.4933 -0.4130 -0.4130 -0.4076 -0.4076 8.3468 8.3468 8.4990 8.4990 9.5711 9.5711 9.7464 9.7464 10.2327 10.2327 10.6749 10.6749 k = 0.0417 0.0241 0.0680 ( 7265 PWs) bands (ev): -39.8569 -39.8569 -39.8101 -39.8101 -1.3222 -1.3222 -1.1335 -1.1335 -1.1275 -1.1275 -1.0792 -1.0792 -1.0732 -1.0732 -0.8724 -0.8724 -0.6293 -0.6293 -0.6245 -0.6245 -0.4936 -0.4936 -0.4126 -0.4126 -0.4085 -0.4085 8.5298 8.5298 8.6544 8.6544 9.5640 9.5640 9.7264 9.7264 10.2098 10.2098 10.5310 10.5310 k = 0.0347 0.0200 0.0567 ( 7265 PWs) bands (ev): -39.8570 -39.8570 -39.8100 -39.8100 -1.3336 -1.3336 -1.1322 -1.1322 -1.1280 -1.1280 -1.0791 -1.0791 -1.0749 -1.0749 -0.8748 -0.8748 -0.6286 -0.6286 -0.6253 -0.6253 -0.4937 -0.4937 -0.4123 -0.4123 -0.4094 -0.4094 8.7128 8.7128 8.8108 8.8108 9.5574 9.5574 9.7094 9.7094 10.1696 10.1696 10.3838 10.3838 k = 0.0278 0.0160 0.0454 ( 7269 PWs) bands (ev): -39.8571 -39.8571 -39.8099 -39.8099 -1.3431 -1.3431 -1.1311 -1.1311 -1.1283 -1.1283 -1.0791 -1.0791 -1.0763 -1.0763 -0.8767 -0.8767 -0.6281 -0.6281 -0.6259 -0.6259 -0.4938 -0.4938 -0.4120 -0.4120 -0.4101 -0.4101 8.8947 8.8947 8.9680 8.9680 9.5518 9.5518 9.6955 9.6955 10.1074 10.1074 10.2339 10.2339 k = 0.0208 0.0120 0.0340 ( 7271 PWs) bands (ev): -39.8572 -39.8572 -39.8098 -39.8098 -1.3505 -1.3505 -1.1301 -1.1301 -1.1285 -1.1285 -1.0791 -1.0791 -1.0774 -1.0774 -0.8783 -0.8783 -0.6276 -0.6276 -0.6264 -0.6264 -0.4938 -0.4938 -0.4117 -0.4117 -0.4107 -0.4107 9.0735 9.0735 9.1258 9.1258 9.5476 9.5476 9.6845 9.6845 10.0202 10.0202 10.0824 10.0824 k = 0.0139 0.0080 0.0227 ( 7263 PWs) bands (ev): -39.8572 -39.8572 -39.8097 -39.8097 -1.3559 -1.3559 -1.1294 -1.1294 -1.1287 -1.1287 -1.0790 -1.0790 -1.0783 -1.0783 -0.8794 -0.8794 -0.6273 -0.6273 -0.6268 -0.6268 -0.4938 -0.4938 -0.4115 -0.4115 -0.4111 -0.4111 9.2446 9.2446 9.2848 9.2848 9.5460 9.5460 9.6763 9.6763 9.9084 9.9084 9.9304 9.9304 k = 0.0069 0.0040 0.0113 ( 7239 PWs) bands (ev): -39.8573 -39.8573 -39.8097 -39.8097 -1.3591 -1.3591 -1.1289 -1.1289 -1.1288 -1.1288 -1.0790 -1.0790 -1.0788 -1.0788 -0.8801 -0.8801 -0.6271 -0.6271 -0.6270 -0.6270 -0.4938 -0.4938 -0.4114 -0.4114 -0.4113 -0.4113 9.3943 9.3943 9.4451 9.4451 9.5520 9.5520 9.6688 9.6688 9.7785 9.7785 9.7842 9.7842 k = 0.0000 0.0000 0.0000 ( 7239 PWs) bands (ev): -39.8573 -39.8573 -39.8097 -39.8097 -1.3602 -1.3602 -1.1288 -1.1288 -1.1288 -1.1288 -1.0790 -1.0790 -1.0790 -1.0790 -0.8803 -0.8803 -0.6270 -0.6270 -0.6270 -0.6270 -0.4938 -0.4938 -0.4114 -0.4114 -0.4114 -0.4114 9.4654 9.4654 9.5768 9.5768 9.5768 9.5768 9.6271 9.6271 9.6936 9.6936 9.6936 9.6936 k = 0.0000 0.0000 0.0000 ( 7239 PWs) bands (ev): -39.8573 -39.8573 -39.8097 -39.8097 -1.3602 -1.3602 -1.1288 -1.1288 -1.1288 -1.1288 -1.0790 -1.0790 -1.0790 -1.0790 -0.8803 -0.8803 -0.6270 -0.6270 -0.6270 -0.6270 -0.4938 -0.4938 -0.4114 -0.4114 -0.4114 -0.4114 9.4654 9.4654 9.5768 9.5768 9.5768 9.5768 9.6271 9.6271 9.6936 9.6936 9.6936 9.6936 k = 0.0114 0.0066 0.0046 ( 7239 PWs) bands (ev): -39.8573 -39.8573 -39.8097 -39.8097 -1.3591 -1.3591 -1.1290 -1.1290 -1.1288 -1.1288 -1.0790 -1.0790 -1.0788 -1.0788 -0.8801 -0.8801 -0.6271 -0.6271 -0.6270 -0.6270 -0.4938 -0.4938 -0.4114 -0.4114 -0.4113 -0.4113 9.3848 9.3848 9.4683 9.4683 9.5272 9.5272 9.6977 9.6977 9.7455 9.7455 9.7992 9.7992 k = 0.0227 0.0131 0.0093 ( 7255 PWs) bands (ev): -39.8572 -39.8572 -39.8097 -39.8097 -1.3559 -1.3559 -1.1294 -1.1294 -1.1287 -1.1287 -1.0791 -1.0791 -1.0783 -1.0783 -0.8794 -0.8794 -0.6272 -0.6272 -0.6268 -0.6268 -0.4938 -0.4938 -0.4114 -0.4114 -0.4112 -0.4112 9.2005 9.2005 9.3826 9.3826 9.4466 9.4466 9.7806 9.7806 9.8332 9.8332 9.9457 9.9457 k = 0.0341 0.0197 0.0139 ( 7270 PWs) bands (ev): -39.8572 -39.8572 -39.8098 -39.8098 -1.3505 -1.3505 -1.1301 -1.1301 -1.1285 -1.1285 -1.0791 -1.0791 -1.0774 -1.0774 -0.8783 -0.8783 -0.6275 -0.6275 -0.6266 -0.6266 -0.4938 -0.4938 -0.4114 -0.4114 -0.4110 -0.4110 8.9972 8.9972 9.3005 9.3005 9.3635 9.3635 9.8725 9.8725 9.9281 9.9281 10.0668 10.0668 k = 0.0455 0.0262 0.0186 ( 7267 PWs) bands (ev): -39.8571 -39.8571 -39.8099 -39.8099 -1.3431 -1.3431 -1.1311 -1.1311 -1.1283 -1.1283 -1.0791 -1.0791 -1.0763 -1.0763 -0.8767 -0.8767 -0.6277 -0.6277 -0.6262 -0.6262 -0.4938 -0.4938 -0.4114 -0.4114 -0.4107 -0.4107 8.7880 8.7880 9.2195 9.2195 9.2815 9.2815 9.9686 9.9686 10.0264 10.0264 10.1537 10.1537 k = 0.0568 0.0328 0.0232 ( 7267 PWs) bands (ev): -39.8570 -39.8570 -39.8100 -39.8100 -1.3336 -1.3336 -1.1322 -1.1322 -1.1279 -1.1279 -1.0792 -1.0792 -1.0749 -1.0749 -0.8747 -0.8747 -0.6281 -0.6281 -0.6258 -0.6258 -0.4937 -0.4937 -0.4114 -0.4114 -0.4103 -0.4103 8.5762 8.5762 9.1402 9.1402 9.2015 9.2015 10.0674 10.0674 10.1269 10.1269 10.2075 10.2075 k = 0.0682 0.0394 0.0278 ( 7261 PWs) bands (ev): -39.8569 -39.8569 -39.8101 -39.8101 -1.3221 -1.3221 -1.1335 -1.1335 -1.1274 -1.1274 -1.0792 -1.0792 -1.0734 -1.0734 -0.8724 -0.8724 -0.6284 -0.6284 -0.6252 -0.6252 -0.4935 -0.4935 -0.4114 -0.4114 -0.4099 -0.4099 8.3632 8.3632 9.0630 9.0630 9.1239 9.1239 10.1678 10.1678 10.2292 10.2292 10.2345 10.2345 k = 0.0795 0.0459 0.0325 ( 7267 PWs) bands (ev): -39.8567 -39.8567 -39.8103 -39.8103 -1.3089 -1.3089 -1.1348 -1.1348 -1.1267 -1.1267 -1.0792 -1.0792 -1.0717 -1.0717 -0.8696 -0.8696 -0.6288 -0.6288 -0.6246 -0.6246 -0.4932 -0.4932 -0.4113 -0.4113 -0.4094 -0.4094 8.1502 8.1502 8.9881 8.9881 9.0487 9.0487 10.2420 10.2420 10.2693 10.2693 10.3323 10.3323 k = 0.0909 0.0525 0.0371 ( 7255 PWs) bands (ev): -39.8565 -39.8565 -39.8104 -39.8104 -1.2939 -1.2939 -1.1362 -1.1362 -1.1258 -1.1258 -1.0790 -1.0790 -1.0699 -1.0699 -0.8664 -0.8664 -0.6291 -0.6291 -0.6238 -0.6238 -0.4928 -0.4928 -0.4113 -0.4113 -0.4089 -0.4089 7.9377 7.9377 8.9156 8.9156 8.9761 8.9761 10.2365 10.2365 10.3703 10.3703 10.4355 10.4355 k = 0.1023 0.0590 0.0418 ( 7261 PWs) bands (ev): -39.8563 -39.8563 -39.8106 -39.8106 -1.2776 -1.2776 -1.1376 -1.1376 -1.1246 -1.1246 -1.0788 -1.0788 -1.0681 -1.0681 -0.8630 -0.8630 -0.6292 -0.6292 -0.6229 -0.6229 -0.4920 -0.4920 -0.4113 -0.4113 -0.4083 -0.4083 7.7263 7.7263 8.8457 8.8457 8.9061 8.9061 10.2217 10.2217 10.4697 10.4697 10.5372 10.5372 k = 0.1136 0.0656 0.0464 ( 7255 PWs) bands (ev): -39.8561 -39.8561 -39.8108 -39.8108 -1.2600 -1.2600 -1.1390 -1.1390 -1.1230 -1.1230 -1.0783 -1.0783 -1.0663 -1.0663 -0.8592 -0.8592 -0.6291 -0.6291 -0.6219 -0.6219 -0.4910 -0.4910 -0.4113 -0.4113 -0.4077 -0.4077 7.5162 7.5162 8.7783 8.7783 8.8387 8.8387 10.2007 10.2007 10.5648 10.5648 10.6352 10.6352 k = 0.1250 0.0722 0.0510 ( 7240 PWs) bands (ev): -39.8559 -39.8559 -39.8110 -39.8110 -1.2418 -1.2418 -1.1403 -1.1403 -1.1208 -1.1208 -1.0775 -1.0775 -1.0646 -1.0646 -0.8552 -0.8552 -0.6288 -0.6288 -0.6208 -0.6208 -0.4895 -0.4895 -0.4113 -0.4113 -0.4072 -0.4072 7.3078 7.3078 8.7135 8.7135 8.7740 8.7740 10.1753 10.1753 10.6516 10.6516 10.7251 10.7251 k = 0.1364 0.0787 0.0557 ( 7240 PWs) bands (ev): -39.8556 -39.8556 -39.8113 -39.8113 -1.2235 -1.2235 -1.1416 -1.1416 -1.1178 -1.1178 -1.0760 -1.0760 -1.0629 -1.0629 -0.8509 -0.8509 -0.6281 -0.6281 -0.6196 -0.6196 -0.4875 -0.4875 -0.4113 -0.4113 -0.4066 -0.4066 7.1013 7.1013 8.6512 8.6512 8.7120 8.7120 10.1470 10.1470 10.7238 10.7238 10.8000 10.8000 k = 0.1477 0.0853 0.0603 ( 7240 PWs) bands (ev): -39.8554 -39.8554 -39.8115 -39.8115 -1.2059 -1.2059 -1.1427 -1.1427 -1.1138 -1.1138 -1.0735 -1.0735 -1.0613 -1.0613 -0.8465 -0.8465 -0.6269 -0.6269 -0.6183 -0.6183 -0.4848 -0.4848 -0.4114 -0.4114 -0.4061 -0.4061 6.8968 6.8968 8.5916 8.5916 8.6526 8.6526 10.1166 10.1166 10.7724 10.7724 10.8496 10.8496 k = 0.1591 0.0919 0.0649 ( 7231 PWs) bands (ev): -39.8551 -39.8551 -39.8118 -39.8118 -1.1902 -1.1902 -1.1438 -1.1438 -1.1091 -1.1091 -1.0689 -1.0689 -1.0599 -1.0599 -0.8419 -0.8419 -0.6251 -0.6251 -0.6168 -0.6168 -0.4812 -0.4812 -0.4114 -0.4114 -0.4056 -0.4056 6.6946 6.6946 8.5346 8.5346 8.5959 8.5959 10.0849 10.0849 10.7896 10.7896 10.8642 10.8642 k = 0.1705 0.0984 0.0696 ( 7231 PWs) bands (ev): -39.8548 -39.8548 -39.8121 -39.8121 -1.1771 -1.1771 -1.1447 -1.1447 -1.1042 -1.1042 -1.0612 -1.0612 -1.0585 -1.0585 -0.8372 -0.8372 -0.6225 -0.6225 -0.6152 -0.6152 -0.4765 -0.4765 -0.4114 -0.4114 -0.4051 -0.4051 6.4946 6.4946 8.4802 8.4802 8.5420 8.5420 10.0525 10.0525 10.7739 10.7739 10.8429 10.8429 k = 0.1818 0.1050 0.0742 ( 7237 PWs) bands (ev): -39.8544 -39.8544 -39.8124 -39.8124 -1.1672 -1.1672 -1.1455 -1.1455 -1.1002 -1.1002 -1.0574 -1.0574 -1.0492 -1.0492 -0.8326 -0.8326 -0.6191 -0.6191 -0.6135 -0.6135 -0.4703 -0.4703 -0.4115 -0.4115 -0.4046 -0.4046 6.2971 6.2971 8.4284 8.4284 8.4907 8.4907 10.0198 10.0198 10.7317 10.7317 10.7940 10.7940 k = 0.1932 0.1115 0.0789 ( 7237 PWs) bands (ev): -39.8541 -39.8541 -39.8128 -39.8128 -1.1599 -1.1599 -1.1461 -1.1461 -1.0974 -1.0974 -1.0564 -1.0564 -1.0334 -1.0334 -0.8281 -0.8281 -0.6147 -0.6147 -0.6117 -0.6117 -0.4623 -0.4623 -0.4116 -0.4116 -0.4041 -0.4041 6.1022 6.1022 8.3793 8.3793 8.4421 8.4421 9.9870 9.9870 10.6719 10.6719 10.7279 10.7279 k = 0.2045 0.1181 0.0835 ( 7243 PWs) bands (ev): -39.8537 -39.8537 -39.8131 -39.8131 -1.1546 -1.1546 -1.1466 -1.1466 -1.0957 -1.0957 -1.0556 -1.0556 -1.0152 -1.0152 -0.8238 -0.8238 -0.6098 -0.6098 -0.6094 -0.6094 -0.4521 -0.4521 -0.4117 -0.4117 -0.4035 -0.4035 5.9099 5.9099 8.3327 8.3327 8.3961 8.3961 9.9546 9.9546 10.6012 10.6012 10.6519 10.6519 k = 0.2159 0.1247 0.0881 ( 7243 PWs) bands (ev): -39.8534 -39.8534 -39.8135 -39.8135 -1.1507 -1.1507 -1.1469 -1.1469 -1.0947 -1.0947 -1.0550 -1.0550 -0.9960 -0.9960 -0.8198 -0.8198 -0.6078 -0.6078 -0.6033 -0.6033 -0.4394 -0.4394 -0.4118 -0.4118 -0.4023 -0.4023 5.7203 5.7203 8.2887 8.2887 8.3528 8.3528 9.9226 9.9226 10.5245 10.5245 10.5706 10.5706 k = 0.2273 0.1312 0.0928 ( 7249 PWs) bands (ev): -39.8530 -39.8530 -39.8138 -39.8138 -1.1476 -1.1476 -1.1471 -1.1471 -1.0942 -1.0942 -1.0545 -1.0545 -0.9770 -0.9770 -0.8163 -0.8163 -0.6057 -0.6057 -0.5965 -0.5965 -0.4249 -0.4249 -0.4119 -0.4119 -0.3990 -0.3990 5.5336 5.5336 8.2473 8.2473 8.3121 8.3121 9.8912 9.8912 10.4445 10.4445 10.4866 10.4866 k = 0.2386 0.1378 0.0974 ( 7255 PWs) bands (ev): -39.8526 -39.8526 -39.8142 -39.8142 -1.1471 -1.1471 -1.1450 -1.1450 -1.0939 -1.0939 -1.0543 -1.0543 -0.9589 -0.9589 -0.8133 -0.8133 -0.6035 -0.6035 -0.5893 -0.5893 -0.4140 -0.4140 -0.4121 -0.4121 -0.3878 -0.3878 5.3497 5.3497 8.2084 8.2084 8.2740 8.2740 9.8606 9.8606 10.3631 10.3631 10.4017 10.4017 k = 0.2500 0.1443 0.1021 ( 7243 PWs) bands (ev): -39.8522 -39.8522 -39.8146 -39.8146 -1.1470 -1.1470 -1.1428 -1.1428 -1.0938 -1.0938 -1.0544 -1.0544 -0.9423 -0.9423 -0.8110 -0.8110 -0.6012 -0.6012 -0.5822 -0.5822 -0.4122 -0.4122 -0.4103 -0.4103 -0.3644 -0.3644 5.1688 5.1688 8.1720 8.1720 8.2385 8.2385 9.8310 9.8310 10.2815 10.2815 10.3169 10.3169 k = 0.2614 0.1509 0.1067 ( 7246 PWs) bands (ev): -39.8518 -39.8518 -39.8150 -39.8150 -1.1466 -1.1466 -1.1408 -1.1408 -1.0939 -1.0939 -1.0546 -1.0546 -0.9274 -0.9274 -0.8094 -0.8094 -0.5988 -0.5988 -0.5752 -0.5752 -0.4124 -0.4124 -0.4094 -0.4094 -0.3330 -0.3330 4.9910 4.9910 8.1380 8.1380 8.2056 8.2056 9.8023 9.8023 10.2006 10.2006 10.2331 10.2331 k = 0.2727 0.1575 0.1113 ( 7246 PWs) bands (ev): -39.8514 -39.8514 -39.8154 -39.8154 -1.1461 -1.1461 -1.1389 -1.1389 -1.0940 -1.0940 -1.0550 -1.0550 -0.9141 -0.9141 -0.8085 -0.8085 -0.5964 -0.5964 -0.5687 -0.5687 -0.4126 -0.4126 -0.4093 -0.4093 -0.2953 -0.2953 4.8163 4.8163 8.1065 8.1065 8.1751 8.1751 9.7747 9.7747 10.1210 10.1210 10.1507 10.1507 k = 0.2841 0.1640 0.1160 ( 7231 PWs) bands (ev): -39.8509 -39.8509 -39.8158 -39.8158 -1.1455 -1.1455 -1.1371 -1.1371 -1.0943 -1.0943 -1.0557 -1.0557 -0.9026 -0.9026 -0.8082 -0.8082 -0.5940 -0.5940 -0.5626 -0.5626 -0.4129 -0.4129 -0.4097 -0.4097 -0.2521 -0.2521 4.6448 4.6448 8.0774 8.0774 8.1471 8.1471 9.7483 9.7483 10.0431 10.0431 10.0702 10.0702 k = 0.2955 0.1706 0.1206 ( 7228 PWs) bands (ev): -39.8505 -39.8505 -39.8163 -39.8163 -1.1447 -1.1447 -1.1354 -1.1354 -1.0945 -1.0945 -1.0565 -1.0565 -0.8925 -0.8925 -0.8086 -0.8086 -0.5915 -0.5915 -0.5569 -0.5569 -0.4131 -0.4131 -0.4103 -0.4103 -0.2040 -0.2040 4.4768 4.4768 8.0506 8.0506 8.1215 8.1215 9.7230 9.7230 9.9674 9.9674 9.9919 9.9919 k = 0.3068 0.1771 0.1253 ( 7237 PWs) bands (ev): -39.8501 -39.8501 -39.8167 -39.8167 -1.1437 -1.1437 -1.1337 -1.1337 -1.0948 -1.0948 -1.0575 -1.0575 -0.8838 -0.8838 -0.8094 -0.8094 -0.5890 -0.5890 -0.5516 -0.5516 -0.4134 -0.4134 -0.4112 -0.4112 -0.1513 -0.1513 4.3122 4.3122 8.0261 8.0261 8.0982 8.0982 9.6990 9.6990 9.8942 9.8942 9.9162 9.9162 k = 0.3182 0.1837 0.1299 ( 7231 PWs) bands (ev): -39.8496 -39.8496 -39.8171 -39.8171 -1.1426 -1.1426 -1.1320 -1.1320 -1.0951 -1.0951 -1.0588 -1.0588 -0.8763 -0.8763 -0.8107 -0.8107 -0.5865 -0.5865 -0.5466 -0.5466 -0.4137 -0.4137 -0.4122 -0.4122 -0.0946 -0.0946 4.1513 4.1513 8.0038 8.0038 8.0772 8.0772 9.6762 9.6762 9.8237 9.8237 9.8432 9.8432 k = 0.3295 0.1903 0.1345 ( 7228 PWs) bands (ev): -39.8492 -39.8492 -39.8175 -39.8175 -1.1413 -1.1413 -1.1303 -1.1303 -1.0955 -1.0955 -1.0602 -1.0602 -0.8698 -0.8698 -0.8123 -0.8123 -0.5841 -0.5841 -0.5418 -0.5418 -0.4140 -0.4140 -0.4134 -0.4134 -0.0344 -0.0344 3.9941 3.9941 7.9836 7.9836 8.0584 8.0584 9.6547 9.6547 9.7562 9.7562 9.7732 9.7732 k = 0.3409 0.1968 0.1392 ( 7228 PWs) bands (ev): -39.8488 -39.8488 -39.8179 -39.8179 -1.1399 -1.1399 -1.1286 -1.1286 -1.0959 -1.0959 -1.0617 -1.0617 -0.8641 -0.8641 -0.8142 -0.8142 -0.5816 -0.5816 -0.5372 -0.5372 -0.4148 -0.4148 -0.4143 -0.4143 0.0289 0.0289 3.8411 3.8411 7.9655 7.9655 8.0417 8.0417 9.6343 9.6343 9.6920 9.6920 9.7064 9.7064 k = 0.3523 0.2034 0.1438 ( 7228 PWs) bands (ev): -39.8484 -39.8484 -39.8183 -39.8183 -1.1383 -1.1383 -1.1270 -1.1270 -1.0962 -1.0962 -1.0634 -1.0634 -0.8592 -0.8592 -0.8163 -0.8163 -0.5793 -0.5793 -0.5328 -0.5328 -0.4162 -0.4162 -0.4147 -0.4147 0.0947 0.0947 3.6922 3.6922 7.9493 7.9493 8.0270 8.0270 9.6139 9.6139 9.6325 9.6325 9.6431 9.6431 k = 0.3636 0.2099 0.1485 ( 7240 PWs) bands (ev): -39.8480 -39.8480 -39.8187 -39.8187 -1.1367 -1.1367 -1.1254 -1.1254 -1.0966 -1.0966 -1.0653 -1.0653 -0.8550 -0.8550 -0.8185 -0.8185 -0.5770 -0.5770 -0.5285 -0.5285 -0.4178 -0.4178 -0.4150 -0.4150 0.1626 0.1626 3.5480 3.5480 7.9350 7.9350 8.0142 8.0142 9.5713 9.5713 9.5833 9.5833 9.6001 9.6001 k = 0.3750 0.2165 0.1531 ( 7222 PWs) bands (ev): -39.8476 -39.8476 -39.8191 -39.8191 -1.1349 -1.1349 -1.1239 -1.1239 -1.0969 -1.0969 -1.0672 -1.0672 -0.8513 -0.8513 -0.8208 -0.8208 -0.5748 -0.5748 -0.5243 -0.5243 -0.4195 -0.4195 -0.4153 -0.4153 0.2320 0.2320 3.4088 3.4088 7.9225 7.9225 8.0032 8.0032 9.5183 9.5183 9.5273 9.5273 9.5833 9.5833 k = 0.3864 0.2231 0.1577 ( 7234 PWs) bands (ev): -39.8472 -39.8472 -39.8195 -39.8195 -1.1331 -1.1331 -1.1224 -1.1224 -1.0973 -1.0973 -1.0693 -1.0693 -0.8482 -0.8482 -0.8231 -0.8231 -0.5727 -0.5727 -0.5203 -0.5203 -0.4213 -0.4213 -0.4157 -0.4157 0.3023 0.3023 3.2750 3.2750 7.9116 7.9116 7.9939 7.9939 9.4686 9.4686 9.4753 9.4753 9.5684 9.5684 k = 0.3977 0.2296 0.1624 ( 7237 PWs) bands (ev): -39.8469 -39.8469 -39.8198 -39.8198 -1.1312 -1.1312 -1.1210 -1.1210 -1.0976 -1.0976 -1.0714 -1.0714 -0.8454 -0.8454 -0.8253 -0.8253 -0.5708 -0.5708 -0.5164 -0.5164 -0.4231 -0.4231 -0.4160 -0.4160 0.3729 0.3729 3.1472 3.1472 7.9023 7.9023 7.9860 7.9860 9.4229 9.4229 9.4275 9.4275 9.5551 9.5551 k = 0.4091 0.2362 0.1670 ( 7237 PWs) bands (ev): -39.8465 -39.8465 -39.8201 -39.8201 -1.1292 -1.1292 -1.1196 -1.1196 -1.0979 -1.0979 -1.0735 -1.0735 -0.8431 -0.8431 -0.8275 -0.8275 -0.5690 -0.5690 -0.5127 -0.5127 -0.4250 -0.4250 -0.4163 -0.4163 0.4428 0.4428 3.0263 3.0263 7.8944 7.8944 7.9796 7.9796 9.3814 9.3814 9.3841 9.3841 9.5431 9.5431 k = 0.4205 0.2427 0.1716 ( 7228 PWs) bands (ev): -39.8462 -39.8462 -39.8204 -39.8204 -1.1273 -1.1273 -1.1184 -1.1184 -1.0982 -1.0982 -1.0757 -1.0757 -0.8411 -0.8411 -0.8294 -0.8294 -0.5673 -0.5673 -0.5093 -0.5093 -0.4268 -0.4268 -0.4166 -0.4166 0.5111 0.5111 2.9131 2.9131 7.8878 7.8878 7.9744 7.9744 9.3443 9.3443 9.3452 9.3452 9.5326 9.5326 k = 0.4318 0.2493 0.1763 ( 7234 PWs) bands (ev): -39.8460 -39.8460 -39.8207 -39.8207 -1.1253 -1.1253 -1.1173 -1.1173 -1.0985 -1.0985 -1.0777 -1.0777 -0.8395 -0.8395 -0.8312 -0.8312 -0.5659 -0.5659 -0.5060 -0.5060 -0.4286 -0.4286 -0.4168 -0.4168 0.5764 0.5764 2.8090 2.8090 7.8824 7.8824 7.9702 7.9702 9.3110 9.3110 9.3118 9.3118 9.5235 9.5235 k = 0.4432 0.2559 0.1809 ( 7228 PWs) bands (ev): -39.8457 -39.8457 -39.8209 -39.8209 -1.1235 -1.1235 -1.1164 -1.1164 -1.0987 -1.0987 -1.0797 -1.0797 -0.8382 -0.8382 -0.8328 -0.8328 -0.5646 -0.5646 -0.5031 -0.5031 -0.4303 -0.4303 -0.4171 -0.4171 0.6372 0.6372 2.7154 2.7154 7.8781 7.8781 7.9670 7.9670 9.2817 9.2817 9.2839 9.2839 9.5158 9.5158 k = 0.4545 0.2624 0.1856 ( 7225 PWs) bands (ev): -39.8455 -39.8455 -39.8211 -39.8211 -1.1218 -1.1218 -1.1156 -1.1156 -1.0989 -1.0989 -1.0816 -1.0816 -0.8371 -0.8371 -0.8341 -0.8341 -0.5636 -0.5636 -0.5006 -0.5006 -0.4319 -0.4319 -0.4173 -0.4173 0.6916 0.6916 2.6342 2.6342 7.8747 7.8747 7.9646 7.9646 9.2575 9.2575 9.2610 9.2610 9.5095 9.5095 k = 0.4659 0.2690 0.1902 ( 7207 PWs) bands (ev): -39.8454 -39.8454 -39.8212 -39.8212 -1.1203 -1.1203 -1.1149 -1.1149 -1.0990 -1.0990 -1.0831 -1.0831 -0.8364 -0.8364 -0.8350 -0.8350 -0.5628 -0.5628 -0.4985 -0.4985 -0.4332 -0.4332 -0.4174 -0.4174 0.7375 0.7375 2.5676 2.5676 7.8721 7.8721 7.9629 7.9629 9.2386 9.2386 9.2430 9.2430 9.5045 9.5045 k = 0.4773 0.2756 0.1948 ( 7207 PWs) bands (ev): -39.8453 -39.8453 -39.8213 -39.8213 -1.1192 -1.1192 -1.1145 -1.1145 -1.0991 -1.0991 -1.0844 -1.0844 -0.8364 -0.8364 -0.8353 -0.8353 -0.5622 -0.5622 -0.4969 -0.4969 -0.4342 -0.4342 -0.4175 -0.4175 0.7725 0.7725 2.5177 2.5177 7.8704 7.8704 7.9618 7.9618 9.2249 9.2249 9.2301 9.2301 9.5010 9.5010 k = 0.4886 0.2821 0.1995 ( 7201 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1184 -1.1184 -1.1142 -1.1142 -1.0992 -1.0992 -1.0852 -1.0852 -0.8367 -0.8367 -0.8351 -0.8351 -0.5618 -0.5618 -0.4959 -0.4959 -0.4348 -0.4348 -0.4176 -0.4176 0.7945 0.7945 2.4868 2.4868 7.8694 7.8694 7.9611 7.9611 9.2167 9.2167 9.2223 9.2223 9.4989 9.4989 k = 0.5000 0.2887 0.2041 ( 7192 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1182 -1.1182 -1.1141 -1.1141 -1.0992 -1.0992 -1.0854 -1.0854 -0.8368 -0.8368 -0.8350 -0.8350 -0.5617 -0.5617 -0.4956 -0.4956 -0.4350 -0.4350 -0.4176 -0.4176 0.8021 0.8021 2.4763 2.4763 7.8690 7.8690 7.9609 7.9609 9.2139 9.2139 9.2197 9.2197 9.4982 9.4982 k = 0.5000 0.2887 0.2041 ( 7192 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1182 -1.1182 -1.1141 -1.1141 -1.0992 -1.0992 -1.0854 -1.0854 -0.8368 -0.8368 -0.8350 -0.8350 -0.5617 -0.5617 -0.4956 -0.4956 -0.4350 -0.4350 -0.4176 -0.4176 0.8021 0.8021 2.4763 2.4763 7.8690 7.8690 7.9609 7.9609 9.2139 9.2139 9.2197 9.2197 9.4982 9.4982 k = 0.5040 0.2770 0.2107 ( 7196 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1185 -1.1185 -1.1144 -1.1144 -1.0988 -1.0988 -1.0851 -1.0851 -0.8367 -0.8367 -0.8347 -0.8347 -0.5619 -0.5619 -0.4960 -0.4960 -0.4349 -0.4349 -0.4173 -0.4173 0.8030 0.8030 2.4772 2.4772 7.8489 7.8489 7.9407 7.9407 9.2252 9.2252 9.2334 9.2334 9.5167 9.5167 k = 0.5081 0.2654 0.2173 ( 7210 PWs) bands (ev): -39.8451 -39.8451 -39.8215 -39.8215 -1.1194 -1.1194 -1.1152 -1.1152 -1.0979 -1.0979 -1.0843 -1.0843 -0.8362 -0.8362 -0.8337 -0.8337 -0.5624 -0.5624 -0.4973 -0.4973 -0.4345 -0.4345 -0.4162 -0.4162 0.8058 0.8058 2.4801 2.4801 7.7856 7.7856 7.8907 7.8907 9.2469 9.2469 9.2754 9.2754 9.5757 9.5757 k = 0.5121 0.2538 0.2239 ( 7200 PWs) bands (ev): -39.8451 -39.8451 -39.8215 -39.8215 -1.1209 -1.1209 -1.1164 -1.1164 -1.0965 -1.0965 -1.0829 -1.0829 -0.8355 -0.8355 -0.8321 -0.8321 -0.5632 -0.5632 -0.4993 -0.4993 -0.4338 -0.4338 -0.4144 -0.4144 0.8105 0.8105 2.4850 2.4850 7.6802 7.6802 7.8269 7.8269 9.2630 9.2630 9.3423 9.3423 9.6775 9.6775 k = 0.5161 0.2421 0.2305 ( 7208 PWs) bands (ev): -39.8450 -39.8450 -39.8216 -39.8216 -1.1229 -1.1229 -1.1176 -1.1176 -1.0949 -1.0949 -1.0811 -1.0811 -0.8345 -0.8345 -0.8298 -0.8298 -0.5644 -0.5644 -0.5020 -0.5020 -0.4330 -0.4330 -0.4120 -0.4120 0.8171 0.8171 2.4917 2.4917 7.5454 7.5454 7.7542 7.7542 9.2693 9.2693 9.4289 9.4289 9.8139 9.8139 k = 0.5202 0.2305 0.2370 ( 7210 PWs) bands (ev): -39.8449 -39.8449 -39.8217 -39.8217 -1.1252 -1.1252 -1.1189 -1.1189 -1.0932 -1.0932 -1.0789 -1.0789 -0.8332 -0.8332 -0.8270 -0.8270 -0.5659 -0.5659 -0.5052 -0.5052 -0.4320 -0.4320 -0.4091 -0.4091 0.8256 0.8256 2.5003 2.5003 7.3930 7.3930 7.6740 7.6740 9.2680 9.2680 9.5310 9.5310 9.9735 9.9735 k = 0.5242 0.2188 0.2436 ( 7206 PWs) bands (ev): -39.8448 -39.8448 -39.8218 -39.8218 -1.1277 -1.1277 -1.1201 -1.1201 -1.0915 -1.0915 -1.0765 -1.0765 -0.8316 -0.8316 -0.8236 -0.8236 -0.5677 -0.5677 -0.5088 -0.5088 -0.4309 -0.4309 -0.4058 -0.4058 0.8362 0.8362 2.5107 2.5107 7.2303 7.2303 7.5885 7.5885 9.2616 9.2616 9.6452 9.6452 10.1481 10.1481 k = 0.5282 0.2072 0.2502 ( 7211 PWs) bands (ev): -39.8446 -39.8446 -39.8220 -39.8220 -1.1304 -1.1304 -1.1214 -1.1214 -1.0899 -1.0899 -1.0738 -1.0738 -0.8298 -0.8298 -0.8197 -0.8197 -0.5697 -0.5697 -0.5128 -0.5128 -0.4297 -0.4297 -0.4022 -0.4022 0.8487 0.8487 2.5228 2.5228 7.0619 7.0619 7.4995 7.4995 9.2515 9.2515 9.7690 9.7690 10.3320 10.3320 k = 0.5323 0.1956 0.2568 ( 7207 PWs) bands (ev): -39.8444 -39.8444 -39.8222 -39.8222 -1.1331 -1.1331 -1.1226 -1.1226 -1.0883 -1.0883 -1.0710 -1.0710 -0.8277 -0.8277 -0.8154 -0.8154 -0.5720 -0.5720 -0.5170 -0.5170 -0.4285 -0.4285 -0.3983 -0.3983 0.8634 0.8634 2.5366 2.5366 6.8904 6.8904 7.4085 7.4085 9.2387 9.2387 9.9007 9.9007 10.5216 10.5216 k = 0.5363 0.1839 0.2634 ( 7207 PWs) bands (ev): -39.8442 -39.8442 -39.8223 -39.8223 -1.1359 -1.1359 -1.1237 -1.1237 -1.0867 -1.0867 -1.0681 -1.0681 -0.8254 -0.8254 -0.8106 -0.8106 -0.5745 -0.5745 -0.5214 -0.5214 -0.4271 -0.4271 -0.3943 -0.3943 0.8802 0.8802 2.5519 2.5519 6.7178 6.7178 7.3166 7.3166 9.2238 9.2238 10.0389 10.0389 10.7145 10.7145 k = 0.5403 0.1723 0.2700 ( 7205 PWs) bands (ev): -39.8440 -39.8440 -39.8226 -39.8226 -1.1387 -1.1387 -1.1248 -1.1248 -1.0853 -1.0853 -1.0651 -1.0651 -0.8228 -0.8228 -0.8055 -0.8055 -0.5772 -0.5772 -0.5260 -0.5260 -0.4257 -0.4257 -0.3901 -0.3901 0.8992 0.8992 2.5687 2.5687 6.5452 6.5452 7.2248 7.2248 9.2073 9.2073 10.1827 10.1827 10.9085 10.9085 k = 0.5444 0.1606 0.2766 ( 7204 PWs) bands (ev): -39.8438 -39.8438 -39.8228 -39.8228 -1.1415 -1.1415 -1.1257 -1.1257 -1.0840 -1.0840 -1.0621 -1.0621 -0.8200 -0.8200 -0.8002 -0.8002 -0.5800 -0.5800 -0.5306 -0.5306 -0.4243 -0.4243 -0.3858 -0.3858 0.9205 0.9205 2.5868 2.5868 6.3737 6.3737 7.1337 7.1337 9.1895 9.1895 10.3314 10.3314 11.1020 11.1020 k = 0.5484 0.1490 0.2831 ( 7206 PWs) bands (ev): -39.8435 -39.8435 -39.8230 -39.8230 -1.1442 -1.1442 -1.1266 -1.1266 -1.0829 -1.0829 -1.0590 -1.0590 -0.8171 -0.8171 -0.7945 -0.7945 -0.5830 -0.5830 -0.5354 -0.5354 -0.4228 -0.4228 -0.3816 -0.3816 0.9441 0.9441 2.6060 2.6060 6.2040 6.2040 7.0437 7.0437 9.1707 9.1707 10.4846 10.4846 11.2930 11.2930 k = 0.5524 0.1374 0.2897 ( 7210 PWs) bands (ev): -39.8433 -39.8433 -39.8233 -39.8233 -1.1468 -1.1468 -1.1273 -1.1273 -1.0818 -1.0818 -1.0560 -1.0560 -0.8139 -0.8139 -0.7888 -0.7888 -0.5861 -0.5861 -0.5401 -0.5401 -0.4213 -0.4213 -0.3773 -0.3773 0.9701 0.9701 2.6261 2.6261 6.0367 6.0367 6.9553 6.9553 9.1511 9.1511 10.6420 10.6420 11.4794 11.4794 k = 0.5565 0.1257 0.2963 ( 7215 PWs) bands (ev): -39.8430 -39.8430 -39.8236 -39.8236 -1.1493 -1.1493 -1.1280 -1.1280 -1.0809 -1.0809 -1.0531 -1.0531 -0.8106 -0.8106 -0.7828 -0.7828 -0.5893 -0.5893 -0.5449 -0.5449 -0.4199 -0.4199 -0.3731 -0.3731 0.9987 0.9987 2.6469 2.6469 5.8724 5.8724 6.8688 6.8688 9.1309 9.1309 10.8031 10.8031 11.6585 11.6585 k = 0.5605 0.1141 0.3029 ( 7214 PWs) bands (ev): -39.8427 -39.8427 -39.8239 -39.8239 -1.1518 -1.1518 -1.1285 -1.1285 -1.0801 -1.0801 -1.0502 -1.0502 -0.8071 -0.8071 -0.7768 -0.7768 -0.5925 -0.5925 -0.5496 -0.5496 -0.4184 -0.4184 -0.3690 -0.3690 1.0297 1.0297 2.6681 2.6681 5.7118 5.7118 6.7842 6.7842 9.1104 9.1104 10.9677 10.9677 11.8264 11.8264 k = 0.5645 0.1024 0.3095 ( 7218 PWs) bands (ev): -39.8424 -39.8424 -39.8242 -39.8242 -1.1540 -1.1540 -1.1288 -1.1288 -1.0795 -1.0795 -1.0475 -1.0475 -0.8035 -0.8035 -0.7708 -0.7708 -0.5958 -0.5958 -0.5542 -0.5542 -0.4170 -0.4170 -0.3650 -0.3650 1.0634 1.0634 2.6892 2.6892 5.5552 5.5552 6.7020 6.7020 9.0898 9.0898 11.1358 11.1358 11.9774 11.9774 k = 0.5685 0.0908 0.3161 ( 7211 PWs) bands (ev): -39.8420 -39.8420 -39.8246 -39.8246 -1.1562 -1.1562 -1.1291 -1.1291 -1.0790 -1.0790 -1.0449 -1.0449 -0.7999 -0.7999 -0.7648 -0.7648 -0.5991 -0.5991 -0.5588 -0.5588 -0.4156 -0.4156 -0.3612 -0.3612 1.0997 1.0997 2.7098 2.7098 5.4035 5.4035 6.6222 6.6222 9.0691 9.0691 11.3071 11.3071 12.1033 12.1033 k = 0.5726 0.0792 0.3226 ( 7210 PWs) bands (ev): -39.8416 -39.8416 -39.8249 -39.8249 -1.1582 -1.1582 -1.1292 -1.1292 -1.0786 -1.0786 -1.0425 -1.0425 -0.7962 -0.7962 -0.7587 -0.7587 -0.6025 -0.6025 -0.5632 -0.5632 -0.4143 -0.4143 -0.3576 -0.3576 1.1386 1.1386 2.7295 2.7295 5.2573 5.2573 6.5449 6.5449 9.0486 9.0486 11.4815 11.4815 12.1933 12.1933 k = 0.5766 0.0675 0.3292 ( 7213 PWs) bands (ev): -39.8413 -39.8413 -39.8253 -39.8253 -1.1600 -1.1600 -1.1293 -1.1293 -1.0783 -1.0783 -1.0403 -1.0403 -0.7924 -0.7924 -0.7528 -0.7528 -0.6059 -0.6059 -0.5674 -0.5674 -0.4130 -0.4130 -0.3542 -0.3542 1.1801 1.1801 2.7474 2.7474 5.1175 5.1175 6.4703 6.4703 9.0283 9.0283 11.6590 11.6590 12.2374 12.2374 k = 0.5806 0.0559 0.3358 ( 7199 PWs) bands (ev): -39.8409 -39.8409 -39.8257 -39.8257 -1.1616 -1.1616 -1.1292 -1.1292 -1.0782 -1.0782 -1.0383 -1.0383 -0.7886 -0.7886 -0.7470 -0.7470 -0.6092 -0.6092 -0.5714 -0.5714 -0.4118 -0.4118 -0.3510 -0.3510 1.2243 1.2243 2.7629 2.7629 4.9849 4.9849 6.3984 6.3984 9.0085 9.0085 11.8394 11.8394 12.2334 12.2334 k = 0.5847 0.0442 0.3424 ( 7195 PWs) bands (ev): -39.8405 -39.8405 -39.8260 -39.8260 -1.1630 -1.1630 -1.1289 -1.1289 -1.0782 -1.0782 -1.0366 -1.0366 -0.7849 -0.7849 -0.7412 -0.7412 -0.6126 -0.6126 -0.5752 -0.5752 -0.4107 -0.4107 -0.3481 -0.3481 1.2711 1.2711 2.7750 2.7750 4.8607 4.8607 6.3294 6.3294 8.9892 8.9892 12.0225 12.0225 12.1889 12.1889 k = 0.5887 0.0326 0.3490 ( 7194 PWs) bands (ev): -39.8401 -39.8401 -39.8264 -39.8264 -1.1643 -1.1643 -1.1286 -1.1286 -1.0784 -1.0784 -1.0351 -1.0351 -0.7812 -0.7812 -0.7356 -0.7356 -0.6159 -0.6159 -0.5787 -0.5787 -0.4096 -0.4096 -0.3455 -0.3455 1.3203 1.3203 2.7826 2.7826 4.7461 4.7461 6.2633 6.2633 8.9706 8.9706 12.1141 12.1141 12.2098 12.2098 k = 0.5927 0.0210 0.3556 ( 7200 PWs) bands (ev): -39.8397 -39.8397 -39.8269 -39.8269 -1.1654 -1.1654 -1.1282 -1.1282 -1.0786 -1.0786 -1.0339 -1.0339 -0.7776 -0.7776 -0.7302 -0.7302 -0.6193 -0.6193 -0.5818 -0.5818 -0.4087 -0.4087 -0.3431 -0.3431 1.3718 1.3718 2.7846 2.7846 4.6425 4.6425 6.2002 6.2002 8.9526 8.9526 12.0222 12.0222 12.3983 12.3983 k = 0.5968 0.0093 0.3622 ( 7205 PWs) bands (ev): -39.8393 -39.8393 -39.8273 -39.8273 -1.1662 -1.1662 -1.1277 -1.1277 -1.0790 -1.0790 -1.0330 -1.0330 -0.7740 -0.7740 -0.7250 -0.7250 -0.6226 -0.6226 -0.5847 -0.5847 -0.4079 -0.4079 -0.3411 -0.3411 1.4254 1.4254 2.7799 2.7799 4.5514 4.5514 6.1402 6.1402 8.9355 8.9355 11.9182 11.9182 12.5899 12.5899 k = 0.6008-0.0023 0.3687 ( 7207 PWs) bands (ev): -39.8388 -39.8388 -39.8277 -39.8277 -1.1669 -1.1669 -1.1271 -1.1271 -1.0795 -1.0795 -1.0324 -1.0324 -0.7707 -0.7707 -0.7200 -0.7200 -0.6258 -0.6258 -0.5871 -0.5871 -0.4072 -0.4072 -0.3395 -0.3395 1.4806 1.4806 2.7675 2.7675 4.4740 4.4740 6.0833 6.0833 8.9193 8.9193 11.8073 11.8073 12.7842 12.7842 k = 0.6048-0.0140 0.3753 ( 7209 PWs) bands (ev): -39.8384 -39.8384 -39.8281 -39.8281 -1.1674 -1.1674 -1.1264 -1.1264 -1.0800 -1.0800 -1.0320 -1.0320 -0.7675 -0.7675 -0.7152 -0.7152 -0.6289 -0.6289 -0.5892 -0.5892 -0.4066 -0.4066 -0.3382 -0.3382 1.5371 1.5371 2.7468 2.7468 4.4115 4.4115 6.0296 6.0296 8.9041 8.9041 11.6923 11.6923 12.9811 12.9811 k = 0.6089-0.0256 0.3819 ( 7207 PWs) bands (ev): -39.8380 -39.8380 -39.8285 -39.8285 -1.1677 -1.1677 -1.1256 -1.1256 -1.0807 -1.0807 -1.0319 -1.0319 -0.7644 -0.7644 -0.7108 -0.7108 -0.6319 -0.6319 -0.5909 -0.5909 -0.4062 -0.4062 -0.3372 -0.3372 1.5939 1.5939 2.7182 2.7182 4.3645 4.3645 5.9791 5.9791 8.8898 8.8898 11.5753 11.5753 13.1806 13.1806 k = 0.6129-0.0372 0.3885 ( 7201 PWs) bands (ev): -39.8376 -39.8376 -39.8289 -39.8289 -1.1678 -1.1678 -1.1248 -1.1248 -1.0814 -1.0814 -1.0321 -1.0321 -0.7616 -0.7616 -0.7067 -0.7067 -0.6346 -0.6346 -0.5922 -0.5922 -0.4058 -0.4058 -0.3366 -0.3366 1.6497 1.6497 2.6828 2.6828 4.3331 4.3331 5.9319 5.9319 8.8767 8.8767 11.4574 11.4574 13.3825 13.3825 k = 0.6169-0.0489 0.3951 ( 7203 PWs) bands (ev): -39.8373 -39.8373 -39.8292 -39.8292 -1.1678 -1.1678 -1.1239 -1.1239 -1.0822 -1.0822 -1.0325 -1.0325 -0.7591 -0.7591 -0.7030 -0.7030 -0.6371 -0.6371 -0.5931 -0.5931 -0.4057 -0.4057 -0.3363 -0.3363 1.7028 1.7028 2.6431 2.6431 4.3166 4.3166 5.8880 5.8880 8.8648 8.8648 11.3397 11.3397 13.5865 13.5865 k = 0.6210-0.0605 0.4017 ( 7202 PWs) bands (ev): -39.8370 -39.8370 -39.8295 -39.8295 -1.1676 -1.1676 -1.1230 -1.1230 -1.0831 -1.0831 -1.0330 -1.0330 -0.7567 -0.7567 -0.6999 -0.6999 -0.6391 -0.6391 -0.5936 -0.5936 -0.4057 -0.4057 -0.3364 -0.3364 1.7501 1.7501 2.6031 2.6031 4.3140 4.3140 5.8474 5.8474 8.8540 8.8540 11.2227 11.2227 13.7913 13.7913 k = 0.6250-0.0722 0.4082 ( 7184 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1673 -1.1673 -1.1221 -1.1221 -1.0840 -1.0840 -1.0338 -1.0338 -0.7547 -0.7547 -0.6974 -0.6974 -0.6406 -0.6406 -0.5937 -0.5937 -0.4058 -0.4058 -0.3369 -0.3369 1.7872 1.7872 2.5685 2.5685 4.3240 4.3240 5.8103 5.8103 8.8445 8.8445 11.1069 11.1069 13.9703 13.9703 k = 0.6250-0.0722 0.4082 ( 7184 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1673 -1.1673 -1.1221 -1.1221 -1.0840 -1.0840 -1.0338 -1.0338 -0.7547 -0.7547 -0.6974 -0.6974 -0.6406 -0.6406 -0.5937 -0.5937 -0.4058 -0.4058 -0.3369 -0.3369 1.7872 1.7872 2.5685 2.5685 4.3240 4.3240 5.8103 5.8103 8.8445 8.8445 11.1069 11.1069 13.9703 13.9703 k = 0.6181-0.0682 0.4196 ( 7201 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1673 -1.1673 -1.1224 -1.1224 -1.0836 -1.0836 -1.0337 -1.0337 -0.7548 -0.7548 -0.6972 -0.6972 -0.6406 -0.6406 -0.5939 -0.5939 -0.4057 -0.4057 -0.3368 -0.3368 1.7886 1.7886 2.5681 2.5681 4.3251 4.3251 5.8018 5.8018 8.8566 8.8566 11.1067 11.1067 13.9526 13.9527 k = 0.6111-0.0642 0.4309 ( 7201 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1674 -1.1674 -1.1235 -1.1235 -1.0824 -1.0824 -1.0334 -1.0334 -0.7553 -0.7553 -0.6964 -0.6964 -0.6408 -0.6408 -0.5945 -0.5945 -0.4055 -0.4055 -0.3367 -0.3367 1.7927 1.7927 2.5667 2.5667 4.3286 4.3286 5.7765 5.7765 8.8926 8.8926 11.1061 11.1061 13.9025 13.9025 k = 0.6042-0.0601 0.4423 ( 7207 PWs) bands (ev): -39.8366 -39.8366 -39.8299 -39.8299 -1.1676 -1.1676 -1.1251 -1.1251 -1.0807 -1.0807 -1.0330 -1.0330 -0.7560 -0.7560 -0.6952 -0.6952 -0.6411 -0.6411 -0.5955 -0.5955 -0.4051 -0.4051 -0.3364 -0.3364 1.7996 1.7996 2.5644 2.5644 4.3343 4.3343 5.7360 5.7360 8.9510 8.9510 11.1049 11.1049 13.8243 13.8243 k = 0.5972-0.0561 0.4536 ( 7213 PWs) bands (ev): -39.8366 -39.8366 -39.8300 -39.8300 -1.1678 -1.1678 -1.1271 -1.1271 -1.0785 -1.0785 -1.0323 -1.0323 -0.7570 -0.7570 -0.6936 -0.6936 -0.6414 -0.6414 -0.5968 -0.5968 -0.4045 -0.4045 -0.3360 -0.3360 1.8092 1.8092 2.5609 2.5609 4.3423 4.3423 5.6822 5.6822 9.0299 9.0299 11.1032 11.1032 13.7049 13.7049 k = 0.5903-0.0521 0.4649 ( 7219 PWs) bands (ev): -39.8365 -39.8365 -39.8301 -39.8301 -1.1681 -1.1681 -1.1292 -1.1292 -1.0762 -1.0762 -1.0315 -1.0315 -0.7582 -0.7582 -0.6916 -0.6916 -0.6419 -0.6419 -0.5985 -0.5985 -0.4039 -0.4039 -0.3356 -0.3356 1.8216 1.8216 2.5562 2.5562 4.3526 4.3526 5.6174 5.6174 9.1269 9.1269 11.1007 11.1007 13.5752 13.5752 k = 0.5833-0.0481 0.4763 ( 7216 PWs) bands (ev): -39.8363 -39.8363 -39.8302 -39.8302 -1.1685 -1.1685 -1.1313 -1.1313 -1.0738 -1.0738 -1.0304 -1.0304 -0.7594 -0.7594 -0.6893 -0.6893 -0.6424 -0.6424 -0.6005 -0.6005 -0.4031 -0.4031 -0.3350 -0.3350 1.8367 1.8367 2.5501 2.5501 4.3652 4.3652 5.5441 5.5441 9.2396 9.2396 11.0973 11.0973 13.4424 13.4424 k = 0.5764-0.0441 0.4876 ( 7211 PWs) bands (ev): -39.8362 -39.8362 -39.8303 -39.8303 -1.1689 -1.1689 -1.1334 -1.1334 -1.0715 -1.0715 -1.0292 -1.0292 -0.7608 -0.7608 -0.6868 -0.6868 -0.6430 -0.6430 -0.6028 -0.6028 -0.4023 -0.4023 -0.3344 -0.3344 1.8547 1.8547 2.5423 2.5423 4.3800 4.3800 5.4648 5.4648 9.3656 9.3656 11.0928 11.0928 13.3094 13.3094 k = 0.5694-0.0401 0.4990 ( 7211 PWs) bands (ev): -39.8360 -39.8360 -39.8305 -39.8305 -1.1695 -1.1695 -1.1353 -1.1353 -1.0694 -1.0694 -1.0278 -1.0278 -0.7621 -0.7621 -0.6840 -0.6840 -0.6436 -0.6436 -0.6053 -0.6053 -0.4014 -0.4014 -0.3337 -0.3337 1.8754 1.8754 2.5325 2.5325 4.3970 4.3970 5.3816 5.3816 9.5024 9.5024 11.0869 11.0869 13.1780 13.1780 k = 0.5625-0.0361 0.5103 ( 7205 PWs) bands (ev): -39.8358 -39.8358 -39.8307 -39.8307 -1.1701 -1.1701 -1.1370 -1.1370 -1.0675 -1.0675 -1.0263 -1.0263 -0.7634 -0.7634 -0.6811 -0.6811 -0.6442 -0.6442 -0.6081 -0.6081 -0.4006 -0.4006 -0.3329 -0.3329 1.8991 1.8991 2.5204 2.5204 4.4162 4.4162 5.2965 5.2965 9.6479 9.6479 11.0792 11.0792 13.0496 13.0496 k = 0.5556-0.0321 0.5217 ( 7207 PWs) bands (ev): -39.8356 -39.8356 -39.8309 -39.8309 -1.1707 -1.1707 -1.1384 -1.1384 -1.0658 -1.0658 -1.0247 -1.0247 -0.7647 -0.7647 -0.6780 -0.6780 -0.6447 -0.6447 -0.6111 -0.6111 -0.3997 -0.3997 -0.3321 -0.3321 1.9256 1.9256 2.5056 2.5056 4.4376 4.4376 5.2114 5.2114 9.7998 9.7998 11.0694 11.0694 12.9256 12.9256 k = 0.5486-0.0281 0.5330 ( 7201 PWs) bands (ev): -39.8354 -39.8354 -39.8311 -39.8311 -1.1714 -1.1714 -1.1397 -1.1397 -1.0644 -1.0644 -1.0231 -1.0231 -0.7658 -0.7658 -0.6749 -0.6749 -0.6453 -0.6453 -0.6143 -0.6143 -0.3989 -0.3989 -0.3314 -0.3314 1.9550 1.9550 2.4878 2.4878 4.4611 4.4611 5.1278 5.1278 9.9560 9.9560 11.0569 11.0569 12.8075 12.8075 k = 0.5417-0.0241 0.5443 ( 7203 PWs) bands (ev): -39.8351 -39.8351 -39.8314 -39.8314 -1.1721 -1.1721 -1.1406 -1.1406 -1.0633 -1.0633 -1.0215 -1.0215 -0.7668 -0.7668 -0.6718 -0.6718 -0.6458 -0.6458 -0.6175 -0.6175 -0.3982 -0.3982 -0.3306 -0.3306 1.9873 1.9873 2.4664 2.4664 4.4868 4.4868 5.0472 5.0472 10.1137 10.1137 11.0412 11.0412 12.6971 12.6971 k = 0.5347-0.0200 0.5557 ( 7211 PWs) bands (ev): -39.8349 -39.8349 -39.8316 -39.8316 -1.1728 -1.1728 -1.1414 -1.1414 -1.0624 -1.0624 -1.0201 -1.0201 -0.7677 -0.7677 -0.6687 -0.6687 -0.6461 -0.6461 -0.6209 -0.6209 -0.3975 -0.3975 -0.3298 -0.3298 2.0226 2.0226 2.4412 2.4412 4.5144 4.5144 4.9708 4.9708 10.2701 10.2701 11.0218 11.0218 12.5968 12.5968 k = 0.5278-0.0160 0.5670 ( 7207 PWs) bands (ev): -39.8346 -39.8346 -39.8319 -39.8319 -1.1734 -1.1734 -1.1420 -1.1420 -1.0616 -1.0616 -1.0188 -1.0188 -0.7684 -0.7684 -0.6658 -0.6658 -0.6463 -0.6463 -0.6241 -0.6241 -0.3970 -0.3970 -0.3292 -0.3292 2.0608 2.0608 2.4117 2.4117 4.5441 4.5441 4.8998 4.8998 10.4211 10.4211 10.9980 10.9980 12.5101 12.5101 k = 0.5208-0.0120 0.5784 ( 7211 PWs) bands (ev): -39.8343 -39.8343 -39.8322 -39.8322 -1.1739 -1.1739 -1.1424 -1.1424 -1.0611 -1.0611 -1.0178 -1.0178 -0.7690 -0.7690 -0.6631 -0.6631 -0.6464 -0.6464 -0.6272 -0.6272 -0.3965 -0.3965 -0.3286 -0.3286 2.1021 2.1021 2.3775 2.3775 4.5757 4.5757 4.8350 4.8350 10.5615 10.5615 10.9693 10.9693 12.4417 12.4417 k = 0.5139-0.0080 0.5897 ( 7216 PWs) bands (ev): -39.8340 -39.8340 -39.8326 -39.8326 -1.1743 -1.1743 -1.1427 -1.1427 -1.0608 -1.0608 -1.0170 -1.0170 -0.7694 -0.7694 -0.6609 -0.6609 -0.6463 -0.6463 -0.6299 -0.6299 -0.3962 -0.3962 -0.3282 -0.3282 2.1465 2.1465 2.3383 2.3383 4.6090 4.6090 4.7774 4.7774 10.6848 10.6848 10.9352 10.9352 12.3979 12.3979 k = 0.5069-0.0040 0.6010 ( 7228 PWs) bands (ev): -39.8336 -39.8336 -39.8329 -39.8329 -1.1745 -1.1745 -1.1428 -1.1428 -1.0606 -1.0606 -1.0165 -1.0165 -0.7696 -0.7696 -0.6593 -0.6593 -0.6462 -0.6462 -0.6318 -0.6318 -0.3960 -0.3960 -0.3279 -0.3279 2.1938 2.1938 2.2941 2.2941 4.6434 4.6434 4.7282 4.7282 10.7829 10.7829 10.8954 10.8954 12.3859 12.3859 k = 0.5000 0.0000 0.6124 ( 7228 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1746 -1.1746 -1.1429 -1.1429 -1.0605 -1.0605 -1.0164 -1.0164 -0.7697 -0.7697 -0.6588 -0.6588 -0.6461 -0.6461 -0.6326 -0.6326 -0.3959 -0.3959 -0.3278 -0.3278 2.2405 2.2405 2.2485 2.2485 4.6691 4.6691 4.6975 4.6975 10.8440 10.8440 10.8548 10.8548 12.4092 12.4093 k = 0.5000 0.0000 0.6124 ( 7228 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1746 -1.1746 -1.1429 -1.1429 -1.0605 -1.0605 -1.0164 -1.0164 -0.7697 -0.7697 -0.6588 -0.6588 -0.6461 -0.6461 -0.6326 -0.6326 -0.3959 -0.3959 -0.3278 -0.3278 2.2405 2.2405 2.2485 2.2485 4.6691 4.6691 4.6975 4.6975 10.8440 10.8440 10.8548 10.8548 12.4092 12.4092 k = 0.5000 0.0080 0.6010 ( 7228 PWs) bands (ev): -39.8338 -39.8338 -39.8327 -39.8327 -1.1745 -1.1745 -1.1429 -1.1429 -1.0605 -1.0605 -1.0164 -1.0164 -0.7698 -0.7698 -0.6600 -0.6600 -0.6456 -0.6456 -0.6318 -0.6318 -0.3960 -0.3960 -0.3279 -0.3279 2.1703 2.1703 2.3176 2.3176 4.6304 4.6304 4.7425 4.7425 10.7792 10.7792 10.9169 10.9169 12.3487 12.3487 k = 0.5000 0.0160 0.5897 ( 7210 PWs) bands (ev): -39.8343 -39.8343 -39.8322 -39.8322 -1.1743 -1.1743 -1.1428 -1.1428 -1.0607 -1.0607 -1.0167 -1.0167 -0.7701 -0.7701 -0.6630 -0.6630 -0.6444 -0.6444 -0.6299 -0.6299 -0.3962 -0.3962 -0.3281 -0.3281 2.0960 2.0960 2.3888 2.3888 4.5873 4.5873 4.8044 4.8044 10.7079 10.7079 10.9796 10.9796 12.2925 12.2925 k = 0.5000 0.0241 0.5784 ( 7208 PWs) bands (ev): -39.8348 -39.8348 -39.8317 -39.8317 -1.1741 -1.1741 -1.1428 -1.1428 -1.0609 -1.0609 -1.0170 -1.0170 -0.7706 -0.7706 -0.6670 -0.6670 -0.6430 -0.6430 -0.6270 -0.6270 -0.3965 -0.3965 -0.3285 -0.3285 2.0219 2.0219 2.4572 2.4572 4.5516 4.5516 4.8720 4.8720 10.6360 10.6360 11.0359 11.0359 12.2461 12.2461 k = 0.5000 0.0321 0.5670 ( 7206 PWs) bands (ev): -39.8353 -39.8353 -39.8312 -39.8312 -1.1736 -1.1736 -1.1427 -1.1427 -1.0613 -1.0613 -1.0175 -1.0175 -0.7713 -0.7713 -0.6717 -0.6717 -0.6415 -0.6415 -0.6235 -0.6235 -0.3970 -0.3970 -0.3290 -0.3290 1.9485 1.9485 2.5219 2.5219 4.5248 4.5248 4.9442 4.9442 10.5643 10.5643 11.0829 11.0829 12.2122 12.2122 k = 0.5000 0.0401 0.5557 ( 7202 PWs) bands (ev): -39.8358 -39.8358 -39.8307 -39.8307 -1.1731 -1.1731 -1.1426 -1.1426 -1.0617 -1.0617 -1.0182 -1.0182 -0.7723 -0.7723 -0.6767 -0.6767 -0.6398 -0.6398 -0.6198 -0.6198 -0.3976 -0.3976 -0.3297 -0.3297 1.8762 1.8762 2.5818 2.5818 4.5080 4.5080 5.0205 5.0205 10.4932 10.4932 11.1176 11.1176 12.1938 12.1938 k = 0.5000 0.0481 0.5443 ( 7204 PWs) bands (ev): -39.8363 -39.8363 -39.8302 -39.8302 -1.1725 -1.1725 -1.1424 -1.1424 -1.0622 -1.0622 -1.0190 -1.0190 -0.7734 -0.7734 -0.6820 -0.6820 -0.6379 -0.6379 -0.6158 -0.6158 -0.3983 -0.3983 -0.3306 -0.3306 1.8054 1.8054 2.6356 2.6356 4.5024 4.5024 5.1006 5.1006 10.4233 10.4233 11.1376 11.1376 12.1931 12.1931 k = 0.5000 0.0561 0.5330 ( 7208 PWs) bands (ev): -39.8368 -39.8368 -39.8297 -39.8297 -1.1717 -1.1717 -1.1422 -1.1422 -1.0627 -1.0627 -1.0200 -1.0200 -0.7747 -0.7747 -0.6875 -0.6875 -0.6357 -0.6357 -0.6118 -0.6118 -0.3991 -0.3991 -0.3317 -0.3317 1.7364 1.7364 2.6825 2.6825 4.5090 4.5090 5.1841 5.1841 10.3546 10.3546 11.1414 11.1414 12.2116 12.2116 k = 0.5000 0.0642 0.5217 ( 7216 PWs) bands (ev): -39.8373 -39.8373 -39.8292 -39.8292 -1.1708 -1.1708 -1.1420 -1.1420 -1.0634 -1.0634 -1.0212 -1.0212 -0.7763 -0.7763 -0.6932 -0.6932 -0.6334 -0.6334 -0.6077 -0.6077 -0.4001 -0.4001 -0.3330 -0.3330 1.6693 1.6693 2.7215 2.7215 4.5286 4.5286 5.2707 5.2707 10.2876 10.2876 11.1292 11.1292 12.2488 12.2488 k = 0.5000 0.0722 0.5103 ( 7222 PWs) bands (ev): -39.8378 -39.8378 -39.8287 -39.8287 -1.1698 -1.1698 -1.1418 -1.1418 -1.0641 -1.0641 -1.0225 -1.0225 -0.7780 -0.7780 -0.6991 -0.6991 -0.6309 -0.6309 -0.6035 -0.6035 -0.4011 -0.4011 -0.3344 -0.3344 1.6044 1.6044 2.7521 2.7521 4.5618 4.5618 5.3602 5.3602 10.2224 10.2224 11.1027 11.1027 12.3028 12.3028 k = 0.5000 0.0802 0.4990 ( 7222 PWs) bands (ev): -39.8383 -39.8383 -39.8283 -39.8283 -1.1687 -1.1687 -1.1414 -1.1414 -1.0649 -1.0649 -1.0240 -1.0240 -0.7799 -0.7799 -0.7051 -0.7051 -0.6282 -0.6282 -0.5993 -0.5993 -0.4022 -0.4022 -0.3361 -0.3361 1.5418 1.5418 2.7744 2.7744 4.6086 4.6086 5.4525 5.4525 10.1590 10.1590 11.0643 11.0643 12.3709 12.3709 k = 0.5000 0.0882 0.4876 ( 7218 PWs) bands (ev): -39.8387 -39.8387 -39.8278 -39.8278 -1.1675 -1.1675 -1.1410 -1.1410 -1.0657 -1.0657 -1.0257 -1.0257 -0.7819 -0.7819 -0.7112 -0.7112 -0.6253 -0.6253 -0.5951 -0.5951 -0.4034 -0.4034 -0.3381 -0.3381 1.4817 1.4817 2.7884 2.7884 4.6687 4.6687 5.5473 5.5473 10.0976 10.0976 11.0165 11.0165 12.4502 12.4502 k = 0.5000 0.0962 0.4763 ( 7220 PWs) bands (ev): -39.8392 -39.8392 -39.8273 -39.8273 -1.1662 -1.1662 -1.1406 -1.1406 -1.0665 -1.0665 -1.0275 -1.0275 -0.7842 -0.7842 -0.7175 -0.7175 -0.6223 -0.6223 -0.5908 -0.5908 -0.4047 -0.4047 -0.3402 -0.3402 1.4241 1.4241 2.7950 2.7950 4.7415 4.7415 5.6444 5.6444 10.0383 10.0383 10.9614 10.9614 12.5382 12.5382 k = 0.5000 0.1042 0.4649 ( 7224 PWs) bands (ev): -39.8397 -39.8397 -39.8269 -39.8269 -1.1648 -1.1648 -1.1401 -1.1401 -1.0675 -1.0675 -1.0295 -1.0295 -0.7865 -0.7865 -0.7238 -0.7238 -0.6192 -0.6192 -0.5865 -0.5865 -0.4060 -0.4060 -0.3426 -0.3426 1.3692 1.3692 2.7949 2.7949 4.8260 4.8260 5.7437 5.7437 9.9812 9.9812 10.9008 10.9008 12.6325 12.6325 k = 0.5000 0.1123 0.4536 ( 7222 PWs) bands (ev): -39.8401 -39.8401 -39.8265 -39.8265 -1.1632 -1.1632 -1.1395 -1.1395 -1.0684 -1.0684 -1.0317 -1.0317 -0.7891 -0.7891 -0.7302 -0.7302 -0.6160 -0.6160 -0.5821 -0.5821 -0.4074 -0.4074 -0.3452 -0.3452 1.3169 1.3169 2.7891 2.7891 4.9213 4.9213 5.8450 5.8450 9.9263 9.9263 10.8357 10.8357 12.7313 12.7313 k = 0.5000 0.1203 0.4423 ( 7212 PWs) bands (ev): -39.8405 -39.8405 -39.8260 -39.8260 -1.1616 -1.1616 -1.1388 -1.1388 -1.0695 -1.0695 -1.0340 -1.0340 -0.7917 -0.7917 -0.7367 -0.7367 -0.6127 -0.6127 -0.5776 -0.5776 -0.4088 -0.4088 -0.3481 -0.3481 1.2673 1.2673 2.7787 2.7787 5.0264 5.0264 5.9482 5.9482 9.8737 9.8737 10.7671 10.7671 12.8325 12.8325 k = 0.5000 0.1283 0.4309 ( 7216 PWs) bands (ev): -39.8409 -39.8409 -39.8257 -39.8257 -1.1599 -1.1599 -1.1381 -1.1381 -1.0705 -1.0705 -1.0364 -1.0364 -0.7945 -0.7945 -0.7432 -0.7432 -0.6094 -0.6094 -0.5731 -0.5731 -0.4103 -0.4103 -0.3512 -0.3512 1.2205 1.2205 2.7647 2.7647 5.1401 5.1401 6.0531 6.0531 9.8233 9.8233 10.6956 10.6956 12.9339 12.9339 k = 0.5000 0.1363 0.4196 ( 7216 PWs) bands (ev): -39.8413 -39.8413 -39.8253 -39.8253 -1.1581 -1.1581 -1.1372 -1.1372 -1.0716 -1.0716 -1.0390 -1.0390 -0.7974 -0.7974 -0.7498 -0.7498 -0.6060 -0.6060 -0.5685 -0.5685 -0.4118 -0.4118 -0.3545 -0.3545 1.1764 1.1764 2.7478 2.7478 5.2615 5.2615 6.1596 6.1596 9.7753 9.7753 10.6216 10.6216 13.0175 13.0175 k = 0.5000 0.1443 0.4082 ( 7222 PWs) bands (ev): -39.8417 -39.8417 -39.8249 -39.8249 -1.1561 -1.1561 -1.1363 -1.1363 -1.0728 -1.0728 -1.0417 -1.0417 -0.8003 -0.8003 -0.7563 -0.7563 -0.6026 -0.6026 -0.5638 -0.5638 -0.4134 -0.4134 -0.3580 -0.3580 1.1351 1.1351 2.7290 2.7290 5.3899 5.3899 6.2675 6.2675 9.7296 9.7296 10.5452 10.5452 12.8220 12.8220 k = 0.5000 0.1524 0.3969 ( 7212 PWs) bands (ev): -39.8420 -39.8420 -39.8245 -39.8245 -1.1541 -1.1541 -1.1353 -1.1353 -1.0741 -1.0741 -1.0445 -1.0445 -0.8033 -0.8033 -0.7629 -0.7629 -0.5992 -0.5992 -0.5591 -0.5591 -0.4149 -0.4149 -0.3616 -0.3616 1.0964 1.0964 2.7088 2.7088 5.5245 5.5245 6.3767 6.3767 9.6862 9.6862 10.4669 10.4669 12.6000 12.6000 k = 0.5000 0.1604 0.3856 ( 7208 PWs) bands (ev): -39.8424 -39.8424 -39.8242 -39.8242 -1.1520 -1.1520 -1.1342 -1.1342 -1.0753 -1.0753 -1.0474 -1.0474 -0.8064 -0.8064 -0.7694 -0.7694 -0.5958 -0.5958 -0.5543 -0.5543 -0.4165 -0.4165 -0.3655 -0.3655 1.0605 1.0605 2.6879 2.6879 5.6646 5.6646 6.4868 6.4868 9.6453 9.6453 10.3866 10.3866 12.3717 12.3717 k = 0.5000 0.1684 0.3742 ( 7210 PWs) bands (ev): -39.8427 -39.8427 -39.8239 -39.8239 -1.1498 -1.1498 -1.1330 -1.1330 -1.0767 -1.0767 -1.0504 -1.0504 -0.8094 -0.8094 -0.7758 -0.7758 -0.5925 -0.5925 -0.5495 -0.5495 -0.4181 -0.4181 -0.3694 -0.3694 1.0272 1.0272 2.6666 2.6666 5.8097 5.8097 6.5978 6.5978 9.6066 9.6066 10.3045 10.3045 12.1410 12.1410 k = 0.5000 0.1764 0.3629 ( 7208 PWs) bands (ev): -39.8430 -39.8430 -39.8236 -39.8236 -1.1475 -1.1475 -1.1318 -1.1318 -1.0781 -1.0781 -1.0534 -1.0534 -0.8123 -0.8123 -0.7821 -0.7821 -0.5892 -0.5892 -0.5447 -0.5447 -0.4196 -0.4196 -0.3735 -0.3735 0.9964 0.9964 2.6455 2.6455 5.9593 5.9593 6.7094 6.7094 9.5704 9.5704 10.2207 10.2207 11.9097 11.9097 k = 0.5000 0.1844 0.3515 ( 7206 PWs) bands (ev): -39.8433 -39.8433 -39.8233 -39.8233 -1.1452 -1.1452 -1.1305 -1.1305 -1.0796 -1.0796 -1.0564 -1.0564 -0.8153 -0.8153 -0.7883 -0.7883 -0.5860 -0.5860 -0.5399 -0.5399 -0.4212 -0.4212 -0.3777 -0.3777 0.9682 0.9682 2.6247 2.6247 6.1128 6.1128 6.8213 6.8213 9.5365 9.5365 10.1353 10.1353 11.6794 11.6794 k = 0.5000 0.1925 0.3402 ( 7196 PWs) bands (ev): -39.8436 -39.8436 -39.8230 -39.8230 -1.1427 -1.1427 -1.1291 -1.1291 -1.0811 -1.0811 -1.0595 -1.0595 -0.8181 -0.8181 -0.7943 -0.7943 -0.5829 -0.5829 -0.5351 -0.5351 -0.4227 -0.4227 -0.3819 -0.3819 0.9424 0.9424 2.6047 2.6047 6.2698 6.2698 6.9331 6.9331 9.5049 9.5049 10.0486 10.0486 11.4510 11.4510 k = 0.5000 0.2005 0.3289 ( 7204 PWs) bands (ev): -39.8438 -39.8438 -39.8228 -39.8228 -1.1402 -1.1402 -1.1277 -1.1277 -1.0828 -1.0828 -1.0625 -1.0625 -0.8208 -0.8208 -0.8000 -0.8000 -0.5799 -0.5799 -0.5304 -0.5304 -0.4243 -0.4243 -0.3861 -0.3861 0.9191 0.9191 2.5857 2.5857 6.4297 6.4297 7.0445 7.0445 9.4756 9.4756 9.9607 9.9607 11.2252 11.2252 k = 0.5000 0.2085 0.3175 ( 7208 PWs) bands (ev): -39.8440 -39.8440 -39.8225 -39.8225 -1.1377 -1.1377 -1.1263 -1.1263 -1.0844 -1.0844 -1.0655 -1.0655 -0.8234 -0.8234 -0.8055 -0.8055 -0.5770 -0.5770 -0.5257 -0.5257 -0.4257 -0.4257 -0.3904 -0.3904 0.8980 0.8980 2.5677 2.5677 6.5919 6.5919 7.1550 7.1550 9.4485 9.4485 9.8721 9.8721 11.0029 11.0029 k = 0.5000 0.2165 0.3062 ( 7210 PWs) bands (ev): -39.8442 -39.8442 -39.8223 -39.8223 -1.1351 -1.1351 -1.1248 -1.1248 -1.0861 -1.0861 -1.0684 -1.0684 -0.8258 -0.8258 -0.8106 -0.8106 -0.5744 -0.5744 -0.5212 -0.5212 -0.4271 -0.4271 -0.3945 -0.3945 0.8793 0.8793 2.5511 2.5511 6.7559 6.7559 7.2640 7.2640 9.4235 9.4235 9.7832 9.7832 10.7850 10.7850 k = 0.5000 0.2245 0.2948 ( 7216 PWs) bands (ev): -39.8444 -39.8444 -39.8222 -39.8222 -1.1325 -1.1325 -1.1233 -1.1233 -1.0879 -1.0879 -1.0713 -1.0713 -0.8280 -0.8280 -0.8154 -0.8154 -0.5719 -0.5719 -0.5168 -0.5168 -0.4285 -0.4285 -0.3985 -0.3985 0.8627 0.8627 2.5359 2.5359 6.9206 6.9206 7.3707 7.3707 9.4005 9.4005 9.6949 9.6949 10.5724 10.5724 k = 0.5000 0.2325 0.2835 ( 7222 PWs) bands (ev): -39.8446 -39.8446 -39.8220 -39.8220 -1.1299 -1.1299 -1.1218 -1.1218 -1.0896 -1.0896 -1.0740 -1.0740 -0.8300 -0.8300 -0.8198 -0.8198 -0.5696 -0.5696 -0.5126 -0.5126 -0.4298 -0.4298 -0.4024 -0.4024 0.8482 0.8482 2.5223 2.5223 7.0848 7.0848 7.4742 7.4742 9.3792 9.3792 9.6080 9.6080 10.3666 10.3666 k = 0.5000 0.2406 0.2722 ( 7210 PWs) bands (ev): -39.8448 -39.8448 -39.8218 -39.8218 -1.1274 -1.1274 -1.1204 -1.1204 -1.0914 -1.0914 -1.0766 -1.0766 -0.8317 -0.8317 -0.8237 -0.8237 -0.5676 -0.5676 -0.5087 -0.5087 -0.4310 -0.4310 -0.4060 -0.4060 0.8358 0.8358 2.5103 2.5103 7.2469 7.2469 7.5731 7.5731 9.3590 9.3590 9.5238 9.5238 10.1699 10.1699 k = 0.5000 0.2486 0.2608 ( 7210 PWs) bands (ev): -39.8449 -39.8449 -39.8217 -39.8217 -1.1250 -1.1250 -1.1190 -1.1190 -1.0932 -1.0932 -1.0790 -1.0790 -0.8333 -0.8333 -0.8270 -0.8270 -0.5659 -0.5659 -0.5051 -0.5051 -0.4321 -0.4321 -0.4092 -0.4092 0.8254 0.8254 2.5000 2.5000 7.4041 7.4041 7.6660 7.6660 9.3391 9.3391 9.4443 9.4443 9.9854 9.9854 k = 0.5000 0.2566 0.2495 ( 7212 PWs) bands (ev): -39.8450 -39.8450 -39.8216 -39.8216 -1.1228 -1.1228 -1.1176 -1.1176 -1.0949 -1.0949 -1.0811 -1.0811 -0.8345 -0.8345 -0.8299 -0.8299 -0.5644 -0.5644 -0.5019 -0.5019 -0.4330 -0.4330 -0.4121 -0.4121 0.8169 0.8169 2.4915 2.4915 7.5520 7.5520 7.7510 7.7510 9.3176 9.3176 9.3718 9.3718 9.8186 9.8186 k = 0.5000 0.2646 0.2381 ( 7208 PWs) bands (ev): -39.8451 -39.8451 -39.8215 -39.8215 -1.1209 -1.1209 -1.1164 -1.1164 -1.0965 -1.0965 -1.0829 -1.0829 -0.8355 -0.8355 -0.8321 -0.8321 -0.5632 -0.5632 -0.4993 -0.4993 -0.4338 -0.4338 -0.4144 -0.4144 0.8104 0.8104 2.4849 2.4849 7.6835 7.6835 7.8265 7.8265 9.2914 9.2914 9.3100 9.3100 9.6782 9.6782 k = 0.5000 0.2726 0.2268 ( 7206 PWs) bands (ev): -39.8451 -39.8451 -39.8215 -39.8215 -1.1194 -1.1194 -1.1152 -1.1152 -1.0979 -1.0979 -1.0843 -1.0843 -0.8362 -0.8362 -0.8337 -0.8337 -0.5624 -0.5624 -0.4973 -0.4973 -0.4345 -0.4345 -0.4162 -0.4162 0.8057 0.8057 2.4801 2.4801 7.7867 7.7867 7.8911 7.8911 9.2560 9.2560 9.2650 9.2650 9.5752 9.5752 k = 0.5000 0.2807 0.2155 ( 7198 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1185 -1.1185 -1.1144 -1.1144 -1.0988 -1.0988 -1.0851 -1.0851 -0.8367 -0.8367 -0.8347 -0.8347 -0.5618 -0.5618 -0.4960 -0.4960 -0.4349 -0.4349 -0.4173 -0.4173 0.8030 0.8030 2.4772 2.4772 7.8492 7.8492 7.9409 7.9409 9.2256 9.2256 9.2328 9.2328 9.5165 9.5165 k = 0.5000 0.2887 0.2041 ( 7192 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1182 -1.1182 -1.1141 -1.1141 -1.0992 -1.0992 -1.0854 -1.0854 -0.8368 -0.8368 -0.8350 -0.8350 -0.5617 -0.5617 -0.4956 -0.4956 -0.4350 -0.4350 -0.4176 -0.4176 0.8021 0.8021 2.4763 2.4763 7.8690 7.8690 7.9609 7.9609 9.2139 9.2139 9.2197 9.2197 9.4982 9.4982 k = 0.5000 0.2887 0.2041 ( 7192 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1182 -1.1182 -1.1141 -1.1141 -1.0992 -1.0992 -1.0854 -1.0854 -0.8368 -0.8368 -0.8350 -0.8350 -0.5617 -0.5617 -0.4956 -0.4956 -0.4350 -0.4350 -0.4176 -0.4176 0.8021 0.8021 2.4763 2.4763 7.8690 7.8690 7.9609 7.9609 9.2139 9.2139 9.2197 9.2197 9.4982 9.4982 k = 0.4960 0.2863 0.2173 ( 7196 PWs) bands (ev): -39.8452 -39.8452 -39.8214 -39.8214 -1.1185 -1.1185 -1.1144 -1.1144 -1.0988 -1.0988 -1.0851 -1.0851 -0.8367 -0.8367 -0.8347 -0.8347 -0.5619 -0.5619 -0.4960 -0.4960 -0.4349 -0.4349 -0.4173 -0.4173 0.8030 0.8030 2.4772 2.4772 7.8489 7.8489 7.9407 7.9407 9.2252 9.2252 9.2334 9.2334 9.5167 9.5167 k = 0.4919 0.2840 0.2305 ( 7210 PWs) bands (ev): -39.8451 -39.8451 -39.8215 -39.8215 -1.1194 -1.1194 -1.1152 -1.1152 -1.0979 -1.0979 -1.0843 -1.0843 -0.8362 -0.8362 -0.8337 -0.8337 -0.5624 -0.5624 -0.4973 -0.4973 -0.4345 -0.4345 -0.4162 -0.4162 0.8058 0.8058 2.4801 2.4801 7.7856 7.7856 7.8907 7.8907 9.2469 9.2469 9.2754 9.2754 9.5757 9.5757 k = 0.4879 0.2817 0.2436 ( 7200 PWs) bands (ev): -39.8451 -39.8451 -39.8215 -39.8215 -1.1209 -1.1209 -1.1164 -1.1164 -1.0965 -1.0965 -1.0829 -1.0829 -0.8355 -0.8355 -0.8321 -0.8321 -0.5632 -0.5632 -0.4993 -0.4993 -0.4338 -0.4338 -0.4144 -0.4144 0.8105 0.8105 2.4850 2.4850 7.6802 7.6802 7.8269 7.8269 9.2630 9.2630 9.3423 9.3423 9.6775 9.6775 k = 0.4839 0.2794 0.2568 ( 7208 PWs) bands (ev): -39.8450 -39.8450 -39.8216 -39.8216 -1.1229 -1.1229 -1.1176 -1.1176 -1.0949 -1.0949 -1.0811 -1.0811 -0.8345 -0.8345 -0.8298 -0.8298 -0.5644 -0.5644 -0.5020 -0.5020 -0.4330 -0.4330 -0.4120 -0.4120 0.8171 0.8171 2.4917 2.4917 7.5454 7.5454 7.7542 7.7542 9.2693 9.2693 9.4289 9.4289 9.8139 9.8139 k = 0.4798 0.2770 0.2700 ( 7210 PWs) bands (ev): -39.8449 -39.8449 -39.8217 -39.8217 -1.1252 -1.1252 -1.1189 -1.1189 -1.0932 -1.0932 -1.0789 -1.0789 -0.8332 -0.8332 -0.8270 -0.8270 -0.5659 -0.5659 -0.5052 -0.5052 -0.4320 -0.4320 -0.4091 -0.4091 0.8256 0.8256 2.5003 2.5003 7.3930 7.3930 7.6740 7.6740 9.2680 9.2680 9.5310 9.5310 9.9735 9.9735 k = 0.4758 0.2747 0.2831 ( 7206 PWs) bands (ev): -39.8448 -39.8448 -39.8218 -39.8218 -1.1277 -1.1277 -1.1201 -1.1201 -1.0915 -1.0915 -1.0765 -1.0765 -0.8316 -0.8316 -0.8236 -0.8236 -0.5677 -0.5677 -0.5088 -0.5088 -0.4309 -0.4309 -0.4058 -0.4058 0.8362 0.8362 2.5107 2.5107 7.2303 7.2303 7.5885 7.5885 9.2616 9.2616 9.6452 9.6452 10.1481 10.1481 k = 0.4718 0.2724 0.2963 ( 7211 PWs) bands (ev): -39.8446 -39.8446 -39.8220 -39.8220 -1.1304 -1.1304 -1.1214 -1.1214 -1.0899 -1.0899 -1.0738 -1.0738 -0.8298 -0.8298 -0.8197 -0.8197 -0.5697 -0.5697 -0.5128 -0.5128 -0.4297 -0.4297 -0.4022 -0.4022 0.8487 0.8487 2.5228 2.5228 7.0619 7.0619 7.4995 7.4995 9.2515 9.2515 9.7690 9.7690 10.3320 10.3320 k = 0.4677 0.2701 0.3095 ( 7207 PWs) bands (ev): -39.8444 -39.8444 -39.8222 -39.8222 -1.1331 -1.1331 -1.1226 -1.1226 -1.0883 -1.0883 -1.0710 -1.0710 -0.8277 -0.8277 -0.8154 -0.8154 -0.5720 -0.5720 -0.5170 -0.5170 -0.4285 -0.4285 -0.3983 -0.3983 0.8634 0.8634 2.5366 2.5366 6.8904 6.8904 7.4085 7.4085 9.2387 9.2387 9.9007 9.9007 10.5216 10.5216 k = 0.4637 0.2677 0.3226 ( 7207 PWs) bands (ev): -39.8442 -39.8442 -39.8223 -39.8223 -1.1359 -1.1359 -1.1237 -1.1237 -1.0867 -1.0867 -1.0681 -1.0681 -0.8254 -0.8254 -0.8106 -0.8106 -0.5745 -0.5745 -0.5214 -0.5214 -0.4271 -0.4271 -0.3943 -0.3943 0.8802 0.8802 2.5519 2.5519 6.7178 6.7178 7.3166 7.3166 9.2238 9.2238 10.0389 10.0389 10.7145 10.7145 k = 0.4597 0.2654 0.3358 ( 7205 PWs) bands (ev): -39.8440 -39.8440 -39.8226 -39.8226 -1.1387 -1.1387 -1.1248 -1.1248 -1.0853 -1.0853 -1.0651 -1.0651 -0.8228 -0.8228 -0.8055 -0.8055 -0.5772 -0.5772 -0.5260 -0.5260 -0.4257 -0.4257 -0.3901 -0.3901 0.8992 0.8992 2.5687 2.5687 6.5452 6.5452 7.2248 7.2248 9.2073 9.2073 10.1827 10.1827 10.9085 10.9085 k = 0.4556 0.2631 0.3490 ( 7204 PWs) bands (ev): -39.8438 -39.8438 -39.8228 -39.8228 -1.1415 -1.1415 -1.1257 -1.1257 -1.0840 -1.0840 -1.0621 -1.0621 -0.8200 -0.8200 -0.8002 -0.8002 -0.5800 -0.5800 -0.5306 -0.5306 -0.4243 -0.4243 -0.3858 -0.3858 0.9205 0.9205 2.5868 2.5868 6.3737 6.3737 7.1337 7.1337 9.1895 9.1895 10.3314 10.3314 11.1020 11.1020 k = 0.4516 0.2607 0.3622 ( 7206 PWs) bands (ev): -39.8435 -39.8435 -39.8230 -39.8230 -1.1442 -1.1442 -1.1266 -1.1266 -1.0829 -1.0829 -1.0590 -1.0590 -0.8171 -0.8171 -0.7945 -0.7945 -0.5830 -0.5830 -0.5354 -0.5354 -0.4228 -0.4228 -0.3816 -0.3816 0.9441 0.9441 2.6060 2.6060 6.2040 6.2040 7.0437 7.0437 9.1707 9.1707 10.4846 10.4846 11.2930 11.2930 k = 0.4476 0.2584 0.3753 ( 7210 PWs) bands (ev): -39.8433 -39.8433 -39.8233 -39.8233 -1.1468 -1.1468 -1.1273 -1.1273 -1.0818 -1.0818 -1.0560 -1.0560 -0.8139 -0.8139 -0.7888 -0.7888 -0.5861 -0.5861 -0.5401 -0.5401 -0.4213 -0.4213 -0.3773 -0.3773 0.9701 0.9701 2.6261 2.6261 6.0367 6.0367 6.9553 6.9553 9.1511 9.1511 10.6420 10.6420 11.4794 11.4794 k = 0.4435 0.2561 0.3885 ( 7215 PWs) bands (ev): -39.8430 -39.8430 -39.8236 -39.8236 -1.1493 -1.1493 -1.1280 -1.1280 -1.0809 -1.0809 -1.0531 -1.0531 -0.8106 -0.8106 -0.7828 -0.7828 -0.5893 -0.5893 -0.5449 -0.5449 -0.4199 -0.4199 -0.3731 -0.3731 0.9987 0.9987 2.6469 2.6469 5.8724 5.8724 6.8688 6.8688 9.1309 9.1309 10.8031 10.8031 11.6585 11.6585 k = 0.4395 0.2538 0.4017 ( 7214 PWs) bands (ev): -39.8427 -39.8427 -39.8239 -39.8239 -1.1518 -1.1518 -1.1285 -1.1285 -1.0801 -1.0801 -1.0502 -1.0502 -0.8071 -0.8071 -0.7768 -0.7768 -0.5925 -0.5925 -0.5496 -0.5496 -0.4184 -0.4184 -0.3690 -0.3690 1.0297 1.0297 2.6681 2.6681 5.7118 5.7118 6.7842 6.7842 9.1104 9.1104 10.9677 10.9677 11.8264 11.8264 k = 0.4355 0.2514 0.4148 ( 7218 PWs) bands (ev): -39.8424 -39.8424 -39.8242 -39.8242 -1.1540 -1.1540 -1.1288 -1.1288 -1.0795 -1.0795 -1.0475 -1.0475 -0.8035 -0.8035 -0.7708 -0.7708 -0.5958 -0.5958 -0.5542 -0.5542 -0.4170 -0.4170 -0.3650 -0.3650 1.0634 1.0634 2.6892 2.6892 5.5552 5.5552 6.7020 6.7020 9.0898 9.0898 11.1358 11.1358 11.9774 11.9774 k = 0.4315 0.2491 0.4280 ( 7211 PWs) bands (ev): -39.8420 -39.8420 -39.8246 -39.8246 -1.1562 -1.1562 -1.1291 -1.1291 -1.0790 -1.0790 -1.0449 -1.0449 -0.7999 -0.7999 -0.7648 -0.7648 -0.5991 -0.5991 -0.5588 -0.5588 -0.4156 -0.4156 -0.3612 -0.3612 1.0997 1.0997 2.7098 2.7098 5.4035 5.4035 6.6222 6.6222 9.0691 9.0691 11.3071 11.3071 12.1033 12.1033 k = 0.4274 0.2468 0.4412 ( 7210 PWs) bands (ev): -39.8416 -39.8416 -39.8249 -39.8249 -1.1582 -1.1582 -1.1292 -1.1292 -1.0786 -1.0786 -1.0425 -1.0425 -0.7962 -0.7962 -0.7587 -0.7587 -0.6025 -0.6025 -0.5632 -0.5632 -0.4143 -0.4143 -0.3576 -0.3576 1.1386 1.1386 2.7295 2.7295 5.2573 5.2573 6.5449 6.5449 9.0486 9.0486 11.4815 11.4815 12.1933 12.1933 k = 0.4234 0.2444 0.4543 ( 7213 PWs) bands (ev): -39.8413 -39.8413 -39.8253 -39.8253 -1.1600 -1.1600 -1.1293 -1.1293 -1.0783 -1.0783 -1.0403 -1.0403 -0.7924 -0.7924 -0.7528 -0.7528 -0.6059 -0.6059 -0.5674 -0.5674 -0.4130 -0.4130 -0.3542 -0.3542 1.1801 1.1801 2.7474 2.7474 5.1175 5.1175 6.4703 6.4703 9.0283 9.0283 11.6590 11.6590 12.2374 12.2374 k = 0.4194 0.2421 0.4675 ( 7199 PWs) bands (ev): -39.8409 -39.8409 -39.8257 -39.8257 -1.1616 -1.1616 -1.1292 -1.1292 -1.0782 -1.0782 -1.0383 -1.0383 -0.7886 -0.7886 -0.7470 -0.7470 -0.6092 -0.6092 -0.5714 -0.5714 -0.4118 -0.4118 -0.3510 -0.3510 1.2243 1.2243 2.7629 2.7629 4.9849 4.9849 6.3984 6.3984 9.0085 9.0085 11.8394 11.8394 12.2334 12.2334 k = 0.4153 0.2398 0.4807 ( 7195 PWs) bands (ev): -39.8405 -39.8405 -39.8260 -39.8260 -1.1630 -1.1630 -1.1289 -1.1289 -1.0782 -1.0782 -1.0366 -1.0366 -0.7849 -0.7849 -0.7412 -0.7412 -0.6126 -0.6126 -0.5752 -0.5752 -0.4107 -0.4107 -0.3481 -0.3481 1.2711 1.2711 2.7750 2.7750 4.8607 4.8607 6.3294 6.3294 8.9892 8.9892 12.0225 12.0225 12.1889 12.1889 k = 0.4113 0.2375 0.4938 ( 7194 PWs) bands (ev): -39.8401 -39.8401 -39.8264 -39.8264 -1.1643 -1.1643 -1.1286 -1.1286 -1.0784 -1.0784 -1.0351 -1.0351 -0.7812 -0.7812 -0.7356 -0.7356 -0.6159 -0.6159 -0.5787 -0.5787 -0.4096 -0.4096 -0.3455 -0.3455 1.3203 1.3203 2.7826 2.7826 4.7461 4.7461 6.2633 6.2633 8.9706 8.9706 12.1141 12.1141 12.2098 12.2098 k = 0.4073 0.2351 0.5070 ( 7200 PWs) bands (ev): -39.8397 -39.8397 -39.8269 -39.8269 -1.1654 -1.1654 -1.1282 -1.1282 -1.0786 -1.0786 -1.0339 -1.0339 -0.7776 -0.7776 -0.7302 -0.7302 -0.6193 -0.6193 -0.5818 -0.5818 -0.4087 -0.4087 -0.3431 -0.3431 1.3718 1.3718 2.7846 2.7846 4.6425 4.6425 6.2002 6.2002 8.9526 8.9526 12.0222 12.0222 12.3983 12.3983 k = 0.4032 0.2328 0.5202 ( 7205 PWs) bands (ev): -39.8393 -39.8393 -39.8273 -39.8273 -1.1662 -1.1662 -1.1277 -1.1277 -1.0790 -1.0790 -1.0330 -1.0330 -0.7740 -0.7740 -0.7250 -0.7250 -0.6226 -0.6226 -0.5847 -0.5847 -0.4079 -0.4079 -0.3411 -0.3411 1.4254 1.4254 2.7799 2.7799 4.5514 4.5514 6.1402 6.1402 8.9355 8.9355 11.9182 11.9182 12.5899 12.5899 k = 0.3992 0.2305 0.5334 ( 7207 PWs) bands (ev): -39.8388 -39.8388 -39.8277 -39.8277 -1.1669 -1.1669 -1.1271 -1.1271 -1.0795 -1.0795 -1.0324 -1.0324 -0.7707 -0.7707 -0.7200 -0.7200 -0.6258 -0.6258 -0.5871 -0.5871 -0.4072 -0.4072 -0.3395 -0.3395 1.4806 1.4806 2.7675 2.7675 4.4740 4.4740 6.0833 6.0833 8.9193 8.9193 11.8073 11.8073 12.7842 12.7842 k = 0.3952 0.2281 0.5465 ( 7209 PWs) bands (ev): -39.8384 -39.8384 -39.8281 -39.8281 -1.1674 -1.1674 -1.1264 -1.1264 -1.0800 -1.0800 -1.0320 -1.0320 -0.7675 -0.7675 -0.7152 -0.7152 -0.6289 -0.6289 -0.5892 -0.5892 -0.4066 -0.4066 -0.3382 -0.3382 1.5371 1.5371 2.7468 2.7468 4.4115 4.4115 6.0296 6.0296 8.9041 8.9041 11.6923 11.6923 12.9811 12.9811 k = 0.3911 0.2258 0.5597 ( 7207 PWs) bands (ev): -39.8380 -39.8380 -39.8285 -39.8285 -1.1677 -1.1677 -1.1256 -1.1256 -1.0807 -1.0807 -1.0319 -1.0319 -0.7644 -0.7644 -0.7108 -0.7108 -0.6319 -0.6319 -0.5909 -0.5909 -0.4062 -0.4062 -0.3372 -0.3372 1.5939 1.5939 2.7182 2.7182 4.3645 4.3645 5.9791 5.9791 8.8898 8.8898 11.5753 11.5753 13.1806 13.1806 k = 0.3871 0.2235 0.5729 ( 7201 PWs) bands (ev): -39.8376 -39.8376 -39.8289 -39.8289 -1.1678 -1.1678 -1.1248 -1.1248 -1.0814 -1.0814 -1.0321 -1.0321 -0.7616 -0.7616 -0.7067 -0.7067 -0.6346 -0.6346 -0.5922 -0.5922 -0.4058 -0.4058 -0.3366 -0.3366 1.6497 1.6497 2.6828 2.6828 4.3331 4.3331 5.9319 5.9319 8.8767 8.8767 11.4574 11.4574 13.3825 13.3825 k = 0.3831 0.2212 0.5860 ( 7203 PWs) bands (ev): -39.8373 -39.8373 -39.8292 -39.8292 -1.1678 -1.1678 -1.1239 -1.1239 -1.0822 -1.0822 -1.0325 -1.0325 -0.7591 -0.7591 -0.7030 -0.7030 -0.6371 -0.6371 -0.5931 -0.5931 -0.4057 -0.4057 -0.3363 -0.3363 1.7028 1.7028 2.6431 2.6431 4.3166 4.3166 5.8880 5.8880 8.8648 8.8648 11.3397 11.3397 13.5865 13.5865 k = 0.3790 0.2188 0.5992 ( 7202 PWs) bands (ev): -39.8370 -39.8370 -39.8295 -39.8295 -1.1676 -1.1676 -1.1230 -1.1230 -1.0831 -1.0831 -1.0330 -1.0330 -0.7567 -0.7567 -0.6999 -0.6999 -0.6391 -0.6391 -0.5936 -0.5936 -0.4057 -0.4057 -0.3364 -0.3364 1.7501 1.7501 2.6031 2.6031 4.3140 4.3140 5.8474 5.8474 8.8540 8.8540 11.2227 11.2227 13.7913 13.7913 k = 0.3750 0.2165 0.6124 ( 7184 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1673 -1.1673 -1.1221 -1.1221 -1.0840 -1.0840 -1.0338 -1.0338 -0.7547 -0.7547 -0.6974 -0.6974 -0.6406 -0.6406 -0.5937 -0.5937 -0.4058 -0.4058 -0.3369 -0.3369 1.7872 1.7872 2.5685 2.5685 4.3240 4.3240 5.8103 5.8103 8.8445 8.8445 11.1069 11.1069 13.9703 13.9703 k = 0.6250-0.0722 0.4082 ( 7184 PWs) bands (ev): -39.8367 -39.8367 -39.8298 -39.8298 -1.1673 -1.1673 -1.1221 -1.1221 -1.0840 -1.0840 -1.0338 -1.0338 -0.7547 -0.7547 -0.6974 -0.6974 -0.6406 -0.6406 -0.5937 -0.5937 -0.4058 -0.4058 -0.3369 -0.3369 1.7872 1.7872 2.5685 2.5685 4.3240 4.3240 5.8103 5.8103 8.8445 8.8445 11.1069 11.1069 13.9703 13.9703 k = 0.6181-0.0842 0.4082 ( 7200 PWs) bands (ev): -39.8364 -39.8364 -39.8301 -39.8301 -1.1665 -1.1665 -1.1204 -1.1204 -1.0856 -1.0856 -1.0355 -1.0355 -0.7513 -0.7513 -0.6939 -0.6939 -0.6425 -0.6425 -0.5936 -0.5936 -0.4062 -0.4062 -0.3382 -0.3382 1.8371 1.8371 2.5191 2.5191 4.3549 4.3549 5.7509 5.7509 8.8297 8.8297 10.9096 10.9096 14.1211 14.1211 k = 0.6111-0.0962 0.4082 ( 7210 PWs) bands (ev): -39.8360 -39.8360 -39.8305 -39.8305 -1.1654 -1.1654 -1.1189 -1.1189 -1.0872 -1.0872 -1.0376 -1.0376 -0.7479 -0.7479 -0.6906 -0.6906 -0.6441 -0.6441 -0.5934 -0.5934 -0.4065 -0.4065 -0.3398 -0.3398 1.8820 1.8820 2.4727 2.4727 4.3935 4.3935 5.6946 5.6946 8.8158 8.8158 10.7145 10.7145 14.2733 14.2733 k = 0.6042-0.1083 0.4082 ( 7210 PWs) bands (ev): -39.8357 -39.8357 -39.8308 -39.8308 -1.1639 -1.1639 -1.1174 -1.1174 -1.0887 -1.0887 -1.0400 -1.0400 -0.7445 -0.7445 -0.6878 -0.6878 -0.6451 -0.6451 -0.5931 -0.5931 -0.4068 -0.4068 -0.3418 -0.3418 1.9219 1.9219 2.4293 2.4293 4.4393 4.4393 5.6416 5.6416 8.8030 8.8030 10.5225 10.5225 14.4267 14.4267 k = 0.5972-0.1203 0.4082 ( 7210 PWs) bands (ev): -39.8354 -39.8354 -39.8311 -39.8311 -1.1622 -1.1622 -1.1161 -1.1161 -1.0902 -1.0902 -1.0429 -1.0429 -0.7410 -0.7410 -0.6855 -0.6855 -0.6456 -0.6456 -0.5929 -0.5929 -0.4069 -0.4069 -0.3441 -0.3441 1.9571 1.9571 2.3890 2.3890 4.4918 4.4918 5.5918 5.5918 8.7910 8.7910 10.3344 10.3344 14.5810 14.5810 k = 0.5903-0.1323 0.4082 ( 7208 PWs) bands (ev): -39.8351 -39.8351 -39.8314 -39.8314 -1.1602 -1.1602 -1.1148 -1.1148 -1.0916 -1.0916 -1.0461 -1.0461 -0.7376 -0.7376 -0.6839 -0.6839 -0.6453 -0.6453 -0.5927 -0.5927 -0.4070 -0.4070 -0.3467 -0.3467 1.9877 1.9877 2.3516 2.3516 4.5503 4.5503 5.5452 5.5452 8.7800 8.7800 10.1511 10.1511 14.7358 14.7359 k = 0.5833-0.1443 0.4082 ( 7214 PWs) bands (ev): -39.8348 -39.8348 -39.8317 -39.8317 -1.1578 -1.1578 -1.1136 -1.1136 -1.0929 -1.0929 -1.0496 -1.0496 -0.7342 -0.7342 -0.6830 -0.6830 -0.6442 -0.6442 -0.5926 -0.5926 -0.4069 -0.4069 -0.3496 -0.3496 2.0140 2.0140 2.3172 2.3172 4.6138 4.6138 5.5019 5.5019 8.7699 8.7699 9.9733 9.9733 14.8907 14.8908 k = 0.5764-0.1564 0.4082 ( 7206 PWs) bands (ev): -39.8346 -39.8346 -39.8319 -39.8319 -1.1552 -1.1552 -1.1125 -1.1125 -1.0942 -1.0942 -1.0535 -1.0535 -0.7309 -0.7309 -0.6828 -0.6828 -0.6424 -0.6424 -0.5927 -0.5927 -0.4066 -0.4066 -0.3526 -0.3526 2.0364 2.0364 2.2857 2.2857 4.6813 4.6813 5.4620 5.4620 8.7606 8.7606 9.8020 9.8020 15.0451 15.0451 k = 0.5694-0.1684 0.4082 ( 7192 PWs) bands (ev): -39.8344 -39.8344 -39.8321 -39.8321 -1.1522 -1.1522 -1.1115 -1.1115 -1.0954 -1.0954 -1.0576 -1.0576 -0.7276 -0.7276 -0.6831 -0.6831 -0.6400 -0.6400 -0.5929 -0.5929 -0.4062 -0.4062 -0.3559 -0.3559 2.0552 2.0552 2.2570 2.2570 4.7516 4.7516 5.4255 5.4255 8.7522 8.7522 9.6382 9.6382 15.1982 15.1982 k = 0.5625-0.1804 0.4082 ( 7196 PWs) bands (ev): -39.8341 -39.8341 -39.8323 -39.8323 -1.1490 -1.1490 -1.1107 -1.1107 -1.0964 -1.0964 -1.0619 -1.0619 -0.7244 -0.7244 -0.6839 -0.6839 -0.6371 -0.6371 -0.5933 -0.5933 -0.4056 -0.4056 -0.3593 -0.3593 2.0708 2.0708 2.2312 2.2312 4.8233 4.8233 5.3923 5.3923 8.7447 8.7447 9.4830 9.4830 15.3490 15.3490 k = 0.5556-0.1925 0.4082 ( 7198 PWs) bands (ev): -39.8340 -39.8340 -39.8325 -39.8325 -1.1456 -1.1456 -1.1099 -1.1099 -1.0974 -1.0974 -1.0665 -1.0665 -0.7213 -0.7213 -0.6851 -0.6851 -0.6338 -0.6338 -0.5939 -0.5939 -0.4047 -0.4047 -0.3628 -0.3628 2.0837 2.0837 2.2083 2.2083 4.8949 4.8949 5.3625 5.3625 8.7380 8.7380 9.3376 9.3376 15.4963 15.4963 k = 0.5486-0.2045 0.4082 ( 7182 PWs) bands (ev): -39.8338 -39.8338 -39.8327 -39.8327 -1.1418 -1.1418 -1.1092 -1.1092 -1.0982 -1.0982 -1.0712 -1.0712 -0.7182 -0.7182 -0.6865 -0.6865 -0.6304 -0.6304 -0.5947 -0.5947 -0.4037 -0.4037 -0.3664 -0.3664 2.0942 2.0942 2.1881 2.1881 4.9648 4.9648 5.3362 5.3362 8.7321 8.7321 9.2033 9.2033 15.6384 15.6384 k = 0.5417-0.2165 0.4082 ( 7182 PWs) bands (ev): -39.8336 -39.8336 -39.8328 -39.8328 -1.1379 -1.1379 -1.1087 -1.1087 -1.0989 -1.0989 -1.0760 -1.0760 -0.7153 -0.7153 -0.6880 -0.6880 -0.6269 -0.6269 -0.5957 -0.5957 -0.4024 -0.4024 -0.3699 -0.3699 2.1026 2.1026 2.1706 2.1706 5.0311 5.0311 5.3134 5.3134 8.7271 8.7271 9.0818 9.0818 15.7730 15.7730 k = 0.5347-0.2285 0.4082 ( 7182 PWs) bands (ev): -39.8335 -39.8335 -39.8330 -39.8330 -1.1338 -1.1338 -1.1084 -1.1084 -1.0995 -1.0995 -1.0809 -1.0809 -0.7124 -0.7124 -0.6898 -0.6898 -0.6234 -0.6234 -0.5970 -0.5970 -0.4009 -0.4009 -0.3735 -0.3735 2.1092 2.1092 2.1559 2.1559 5.0919 5.0919 5.2940 5.2940 8.7228 8.7228 8.9747 8.9747 15.8973 15.8973 k = 0.5278-0.2406 0.4082 ( 7166 PWs) bands (ev): -39.8334 -39.8334 -39.8331 -39.8331 -1.1295 -1.1295 -1.1082 -1.1082 -1.1000 -1.1000 -1.0857 -1.0857 -0.7097 -0.7097 -0.6916 -0.6916 -0.6199 -0.6199 -0.5986 -0.5986 -0.3992 -0.3992 -0.3770 -0.3770 2.1143 2.1143 2.1439 2.1439 5.1453 5.1453 5.2781 5.2781 8.7193 8.7193 8.8837 8.8837 16.0076 16.0076 k = 0.5208-0.2526 0.4082 ( 7172 PWs) bands (ev): -39.8333 -39.8333 -39.8331 -39.8331 -1.1252 -1.1252 -1.1083 -1.1083 -1.1003 -1.1003 -1.0903 -1.0903 -0.7071 -0.7071 -0.6935 -0.6935 -0.6166 -0.6166 -0.6004 -0.6004 -0.3971 -0.3971 -0.3804 -0.3804 2.1180 2.1180 2.1346 2.1346 5.1894 5.1894 5.2658 5.2658 8.7166 8.7166 8.8106 8.8106 16.0993 16.0993 k = 0.5139-0.2646 0.4082 ( 7176 PWs) bands (ev): -39.8333 -39.8333 -39.8332 -39.8332 -1.1208 -1.1208 -1.1089 -1.1089 -1.1004 -1.1004 -1.0944 -1.0944 -0.7046 -0.7046 -0.6955 -0.6955 -0.6133 -0.6133 -0.6025 -0.6025 -0.3949 -0.3949 -0.3837 -0.3837 2.1206 2.1206 2.1279 2.1279 5.2223 5.2223 5.2569 5.2569 8.7147 8.7147 8.7570 8.7570 16.1676 16.1676 k = 0.5069-0.2766 0.4082 ( 7180 PWs) bands (ev): -39.8332 -39.8332 -39.8332 -39.8332 -1.1166 -1.1166 -1.1103 -1.1103 -1.1002 -1.1002 -1.0976 -1.0976 -0.7022 -0.7022 -0.6976 -0.6976 -0.6103 -0.6103 -0.6049 -0.6049 -0.3924 -0.3924 -0.3868 -0.3868 2.1221 2.1221 2.1239 2.1239 5.2427 5.2427 5.2516 5.2516 8.7135 8.7135 8.7242 8.7242 16.2090 16.2090 k = 0.5000-0.2887 0.4082 ( 7216 PWs) bands (ev): -39.8333 -39.8333 -39.8333 -39.8333 -1.1130 -1.1130 -1.1130 -1.1130 -1.0995 -1.0995 -1.0995 -1.0995 -0.6998 -0.6998 -0.6998 -0.6998 -0.6075 -0.6075 -0.6075 -0.6075 -0.3897 -0.3897 -0.3897 -0.3897 2.1226 2.1226 2.1226 2.1226 5.2497 5.2497 5.2497 5.2497 8.7132 8.7132 8.7132 8.7132 16.2229 16.2229 Writing output data file LiZn.save init_run : 0.18s CPU 0.29s WALL ( 1 calls) electrons : 142.01s CPU 144.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 142.00s CPU 144.00s 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 : 0.05s CPU 0.07s WALL ( 337 calls) cegterg : 124.84s CPU 126.21s WALL ( 468 calls) Called by sum_band: Called by *egterg: h_psi : 93.43s CPU 94.56s WALL ( 7339 calls) s_psi : 3.39s CPU 3.45s WALL ( 7339 calls) g_psi : 0.28s CPU 0.26s WALL ( 6534 calls) cdiaghg : 28.34s CPU 28.83s WALL ( 6871 calls) cegterg:over : 4.44s CPU 4.47s WALL ( 6534 calls) cegterg:upda : 4.56s CPU 4.52s WALL ( 6534 calls) cegterg:last : 2.47s CPU 2.40s WALL ( 1142 calls) cdiaghg:chol : 1.64s CPU 1.67s WALL ( 6871 calls) cdiaghg:inve : 0.72s CPU 0.71s WALL ( 6871 calls) cdiaghg:para : 1.75s CPU 1.75s WALL ( 13742 calls) Called by h_psi: h_psi:vloc : 86.62s CPU 87.72s WALL ( 7339 calls) h_psi:vnl : 6.57s CPU 6.59s WALL ( 7339 calls) add_vuspsi : 3.32s CPU 3.31s WALL ( 7339 calls) General routines calbec : 3.23s CPU 3.26s WALL ( 7339 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 82.38s CPU 83.47s WALL ( 544672 calls) davcio : 0.22s CPU 0.26s WALL ( 674 calls) Parallel routines fft_scatter : 26.35s CPU 26.74s WALL ( 544687 calls) PWSCF : 2m38.94s CPU 2m55.50s WALL This run was terminated on: 20:39:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=