Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:28:52 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CoH3xCNx6.save/ 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 45 12 1906 1841 266 Max 47 46 13 1910 1858 269 Sum 3319 3253 913 137335 133129 19233 bravais-lattice index = 14 lattice parameter (alat) = 12.1528 a.u. unit-cell volume = 1376.5053 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 74.00 number of Kohn-Sham states= 88 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.152828 celldm(2)= 1.000000 celldm(3)= 0.885554 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 0.885554 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.129236 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 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 PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Co 17.00 58.93320 Co( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-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 [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -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 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 251 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0039841 k( 3) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0039841 k( 4) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0039841 k( 5) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0039841 k( 6) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0039841 k( 7) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0039841 k( 8) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0039841 k( 9) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0039841 k( 10) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0039841 k( 11) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0039841 k( 12) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0039841 k( 13) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0039841 k( 14) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0039841 k( 15) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0039841 k( 16) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0039841 k( 17) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0039841 k( 18) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0039841 k( 19) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0039841 k( 20) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0039841 k( 21) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0039841 k( 22) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0039841 k( 23) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0039841 k( 24) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0039841 k( 25) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0039841 k( 26) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0039841 k( 27) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0039841 k( 28) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0039841 k( 29) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0039841 k( 30) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0039841 k( 31) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0039841 k( 32) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0039841 k( 33) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0039841 k( 34) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0039841 k( 35) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0039841 k( 36) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0039841 k( 37) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0039841 k( 38) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0039841 k( 39) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0039841 k( 40) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0039841 k( 41) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0039841 k( 42) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0039841 k( 43) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0039841 k( 44) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0039841 k( 45) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0039841 k( 46) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0039841 k( 47) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0039841 k( 48) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0039841 k( 49) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0039841 k( 50) = ( 0.3232323 0.5598548 -0.0000000), wk = 0.0039841 k( 51) = ( 0.3131313 0.5423593 -0.0000000), wk = 0.0039841 k( 52) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0039841 k( 53) = ( 0.2929293 0.5073684 -0.0000000), wk = 0.0039841 k( 54) = ( 0.2828283 0.4898730 -0.0000000), wk = 0.0039841 k( 55) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0039841 k( 56) = ( 0.2626263 0.4548820 -0.0000000), wk = 0.0039841 k( 57) = ( 0.2525252 0.4373866 -0.0000000), wk = 0.0039841 k( 58) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0039841 k( 59) = ( 0.2323232 0.4023956 -0.0000000), wk = 0.0039841 k( 60) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0039841 k( 61) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0039841 k( 62) = ( 0.2020202 0.3499093 -0.0000000), wk = 0.0039841 k( 63) = ( 0.1919192 0.3324138 -0.0000000), wk = 0.0039841 k( 64) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0039841 k( 65) = ( 0.1717172 0.2974229 -0.0000000), wk = 0.0039841 k( 66) = ( 0.1616162 0.2799274 -0.0000000), wk = 0.0039841 k( 67) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0039841 k( 68) = ( 0.1414141 0.2449365 -0.0000000), wk = 0.0039841 k( 69) = ( 0.1313131 0.2274410 -0.0000000), wk = 0.0039841 k( 70) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0039841 k( 71) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0039841 k( 72) = ( 0.1010101 0.1749546 -0.0000000), wk = 0.0039841 k( 73) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0039841 k( 74) = ( 0.0808081 0.1399637 -0.0000000), wk = 0.0039841 k( 75) = ( 0.0707071 0.1224682 -0.0000000), wk = 0.0039841 k( 76) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0039841 k( 77) = ( 0.0505051 0.0874773 -0.0000000), wk = 0.0039841 k( 78) = ( 0.0404040 0.0699819 -0.0000000), wk = 0.0039841 k( 79) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0039841 k( 80) = ( 0.0202020 0.0349909 -0.0000000), wk = 0.0039841 k( 81) = ( 0.0101010 0.0174955 -0.0000000), wk = 0.0039841 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 84) = ( 0.0000000 0.0000000 0.0201649), wk = 0.0039841 k( 85) = ( 0.0000000 0.0000000 0.0403299), wk = 0.0039841 k( 86) = ( 0.0000000 0.0000000 0.0604948), wk = 0.0039841 k( 87) = ( 0.0000000 0.0000000 0.0806597), wk = 0.0039841 k( 88) = ( 0.0000000 0.0000000 0.1008247), wk = 0.0039841 k( 89) = ( 0.0000000 0.0000000 0.1209896), wk = 0.0039841 k( 90) = ( 0.0000000 0.0000000 0.1411545), wk = 0.0039841 k( 91) = ( 0.0000000 0.0000000 0.1613194), wk = 0.0039841 k( 92) = ( 0.0000000 0.0000000 0.1814844), wk = 0.0039841 k( 93) = ( 0.0000000 0.0000000 0.2016493), wk = 0.0039841 k( 94) = ( 0.0000000 0.0000000 0.2218142), wk = 0.0039841 k( 95) = ( 0.0000000 0.0000000 0.2419792), wk = 0.0039841 k( 96) = ( 0.0000000 0.0000000 0.2621441), wk = 0.0039841 k( 97) = ( 0.0000000 0.0000000 0.2823090), wk = 0.0039841 k( 98) = ( 0.0000000 0.0000000 0.3024740), wk = 0.0039841 k( 99) = ( 0.0000000 0.0000000 0.3226389), wk = 0.0039841 k( 100) = ( 0.0000000 0.0000000 0.3428038), wk = 0.0039841 k( 101) = ( 0.0000000 0.0000000 0.3629688), wk = 0.0039841 k( 102) = ( 0.0000000 0.0000000 0.3831337), wk = 0.0039841 k( 103) = ( 0.0000000 0.0000000 0.4032986), wk = 0.0039841 k( 104) = ( 0.0000000 0.0000000 0.4234636), wk = 0.0039841 k( 105) = ( 0.0000000 0.0000000 0.4436285), wk = 0.0039841 k( 106) = ( 0.0000000 0.0000000 0.4637934), wk = 0.0039841 k( 107) = ( 0.0000000 0.0000000 0.4839584), wk = 0.0039841 k( 108) = ( 0.0000000 0.0000000 0.5041233), wk = 0.0039841 k( 109) = ( 0.0000000 0.0000000 0.5242882), wk = 0.0039841 k( 110) = ( 0.0000000 0.0000000 0.5444532), wk = 0.0039841 k( 111) = ( 0.0000000 0.0000000 0.5646181), wk = 0.0039841 k( 112) = ( 0.0000000 0.0000000 0.5646181), wk = 0.0039841 k( 113) = ( 0.0172414 0.0099543 0.5646181), wk = 0.0039841 k( 114) = ( 0.0344828 0.0199086 0.5646181), wk = 0.0039841 k( 115) = ( 0.0517241 0.0298629 0.5646181), wk = 0.0039841 k( 116) = ( 0.0689655 0.0398173 0.5646181), wk = 0.0039841 k( 117) = ( 0.0862069 0.0497716 0.5646181), wk = 0.0039841 k( 118) = ( 0.1034483 0.0597259 0.5646181), wk = 0.0039841 k( 119) = ( 0.1206897 0.0696802 0.5646181), wk = 0.0039841 k( 120) = ( 0.1379310 0.0796345 0.5646181), wk = 0.0039841 k( 121) = ( 0.1551724 0.0895888 0.5646181), wk = 0.0039841 k( 122) = ( 0.1724138 0.0995431 0.5646181), wk = 0.0039841 k( 123) = ( 0.1896552 0.1094975 0.5646181), wk = 0.0039841 k( 124) = ( 0.2068966 0.1194518 0.5646181), wk = 0.0039841 k( 125) = ( 0.2241379 0.1294061 0.5646181), wk = 0.0039841 k( 126) = ( 0.2413793 0.1393604 0.5646181), wk = 0.0039841 k( 127) = ( 0.2586207 0.1493147 0.5646181), wk = 0.0039841 k( 128) = ( 0.2758621 0.1592690 0.5646181), wk = 0.0039841 k( 129) = ( 0.2931034 0.1692234 0.5646181), wk = 0.0039841 k( 130) = ( 0.3103448 0.1791777 0.5646181), wk = 0.0039841 k( 131) = ( 0.3275862 0.1891320 0.5646181), wk = 0.0039841 k( 132) = ( 0.3448276 0.1990863 0.5646181), wk = 0.0039841 k( 133) = ( 0.3620690 0.2090406 0.5646181), wk = 0.0039841 k( 134) = ( 0.3793103 0.2189949 0.5646181), wk = 0.0039841 k( 135) = ( 0.3965517 0.2289492 0.5646181), wk = 0.0039841 k( 136) = ( 0.4137931 0.2389036 0.5646181), wk = 0.0039841 k( 137) = ( 0.4310345 0.2488579 0.5646181), wk = 0.0039841 k( 138) = ( 0.4482759 0.2588122 0.5646181), wk = 0.0039841 k( 139) = ( 0.4655172 0.2687665 0.5646181), wk = 0.0039841 k( 140) = ( 0.4827586 0.2787208 0.5646181), wk = 0.0039841 k( 141) = ( 0.5000000 0.2886751 0.5646181), wk = 0.0039841 k( 142) = ( 0.5000000 0.2886751 0.5646181), wk = 0.0039841 k( 143) = ( 0.4901961 0.3056560 0.5646181), wk = 0.0039841 k( 144) = ( 0.4803922 0.3226369 0.5646181), wk = 0.0039841 k( 145) = ( 0.4705882 0.3396178 0.5646181), wk = 0.0039841 k( 146) = ( 0.4607843 0.3565987 0.5646181), wk = 0.0039841 k( 147) = ( 0.4509804 0.3735796 0.5646181), wk = 0.0039841 k( 148) = ( 0.4411765 0.3905605 0.5646181), wk = 0.0039841 k( 149) = ( 0.4313726 0.4075414 0.5646181), wk = 0.0039841 k( 150) = ( 0.4215686 0.4245223 0.5646181), wk = 0.0039841 k( 151) = ( 0.4117647 0.4415032 0.5646181), wk = 0.0039841 k( 152) = ( 0.4019608 0.4584840 0.5646181), wk = 0.0039841 k( 153) = ( 0.3921569 0.4754649 0.5646181), wk = 0.0039841 k( 154) = ( 0.3823529 0.4924458 0.5646181), wk = 0.0039841 k( 155) = ( 0.3725490 0.5094267 0.5646181), wk = 0.0039841 k( 156) = ( 0.3627451 0.5264076 0.5646181), wk = 0.0039841 k( 157) = ( 0.3529412 0.5433885 0.5646181), wk = 0.0039841 k( 158) = ( 0.3431373 0.5603694 0.5646181), wk = 0.0039841 k( 159) = ( 0.3333333 0.5773503 0.5646181), wk = 0.0039841 k( 160) = ( 0.3333333 0.5773503 0.5646181), wk = 0.0039841 k( 161) = ( 0.3232323 0.5598548 0.5646181), wk = 0.0039841 k( 162) = ( 0.3131313 0.5423593 0.5646181), wk = 0.0039841 k( 163) = ( 0.3030303 0.5248639 0.5646181), wk = 0.0039841 k( 164) = ( 0.2929293 0.5073684 0.5646181), wk = 0.0039841 k( 165) = ( 0.2828283 0.4898730 0.5646181), wk = 0.0039841 k( 166) = ( 0.2727273 0.4723775 0.5646181), wk = 0.0039841 k( 167) = ( 0.2626263 0.4548820 0.5646181), wk = 0.0039841 k( 168) = ( 0.2525252 0.4373866 0.5646181), wk = 0.0039841 k( 169) = ( 0.2424242 0.4198911 0.5646181), wk = 0.0039841 k( 170) = ( 0.2323232 0.4023956 0.5646181), wk = 0.0039841 k( 171) = ( 0.2222222 0.3849002 0.5646181), wk = 0.0039841 k( 172) = ( 0.2121212 0.3674047 0.5646181), wk = 0.0039841 k( 173) = ( 0.2020202 0.3499093 0.5646181), wk = 0.0039841 k( 174) = ( 0.1919192 0.3324138 0.5646181), wk = 0.0039841 k( 175) = ( 0.1818182 0.3149183 0.5646181), wk = 0.0039841 k( 176) = ( 0.1717172 0.2974229 0.5646181), wk = 0.0039841 k( 177) = ( 0.1616162 0.2799274 0.5646181), wk = 0.0039841 k( 178) = ( 0.1515151 0.2624319 0.5646181), wk = 0.0039841 k( 179) = ( 0.1414141 0.2449365 0.5646181), wk = 0.0039841 k( 180) = ( 0.1313131 0.2274410 0.5646181), wk = 0.0039841 k( 181) = ( 0.1212121 0.2099456 0.5646181), wk = 0.0039841 k( 182) = ( 0.1111111 0.1924501 0.5646181), wk = 0.0039841 k( 183) = ( 0.1010101 0.1749546 0.5646181), wk = 0.0039841 k( 184) = ( 0.0909091 0.1574592 0.5646181), wk = 0.0039841 k( 185) = ( 0.0808081 0.1399637 0.5646181), wk = 0.0039841 k( 186) = ( 0.0707071 0.1224682 0.5646181), wk = 0.0039841 k( 187) = ( 0.0606061 0.1049728 0.5646181), wk = 0.0039841 k( 188) = ( 0.0505051 0.0874773 0.5646181), wk = 0.0039841 k( 189) = ( 0.0404040 0.0699819 0.5646181), wk = 0.0039841 k( 190) = ( 0.0303030 0.0524864 0.5646181), wk = 0.0039841 k( 191) = ( 0.0202020 0.0349909 0.5646181), wk = 0.0039841 k( 192) = ( 0.0101010 0.0174955 0.5646181), wk = 0.0039841 k( 193) = ( 0.0000000 0.0000000 0.5646181), wk = 0.0039841 k( 194) = ( 0.5000000 0.2886751 0.5646181), wk = 0.0039841 k( 195) = ( 0.5000000 0.2886751 0.5444532), wk = 0.0039841 k( 196) = ( 0.5000000 0.2886751 0.5242882), wk = 0.0039841 k( 197) = ( 0.5000000 0.2886751 0.5041233), wk = 0.0039841 k( 198) = ( 0.5000000 0.2886751 0.4839584), wk = 0.0039841 k( 199) = ( 0.5000000 0.2886751 0.4637934), wk = 0.0039841 k( 200) = ( 0.5000000 0.2886751 0.4436285), wk = 0.0039841 k( 201) = ( 0.5000000 0.2886751 0.4234636), wk = 0.0039841 k( 202) = ( 0.5000000 0.2886751 0.4032986), wk = 0.0039841 k( 203) = ( 0.5000000 0.2886751 0.3831337), wk = 0.0039841 k( 204) = ( 0.5000000 0.2886751 0.3629688), wk = 0.0039841 k( 205) = ( 0.5000000 0.2886751 0.3428038), wk = 0.0039841 k( 206) = ( 0.5000000 0.2886751 0.3226389), wk = 0.0039841 k( 207) = ( 0.5000000 0.2886751 0.3024740), wk = 0.0039841 k( 208) = ( 0.5000000 0.2886751 0.2823090), wk = 0.0039841 k( 209) = ( 0.5000000 0.2886751 0.2621441), wk = 0.0039841 k( 210) = ( 0.5000000 0.2886751 0.2419792), wk = 0.0039841 k( 211) = ( 0.5000000 0.2886751 0.2218142), wk = 0.0039841 k( 212) = ( 0.5000000 0.2886751 0.2016493), wk = 0.0039841 k( 213) = ( 0.5000000 0.2886751 0.1814844), wk = 0.0039841 k( 214) = ( 0.5000000 0.2886751 0.1613194), wk = 0.0039841 k( 215) = ( 0.5000000 0.2886751 0.1411545), wk = 0.0039841 k( 216) = ( 0.5000000 0.2886751 0.1209896), wk = 0.0039841 k( 217) = ( 0.5000000 0.2886751 0.1008247), wk = 0.0039841 k( 218) = ( 0.5000000 0.2886751 0.0806597), wk = 0.0039841 k( 219) = ( 0.5000000 0.2886751 0.0604948), wk = 0.0039841 k( 220) = ( 0.5000000 0.2886751 0.0403299), wk = 0.0039841 k( 221) = ( 0.5000000 0.2886751 0.0201649), wk = 0.0039841 k( 222) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0039841 k( 223) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0039841 k( 224) = ( 0.3333333 0.5773503 0.0201649), wk = 0.0039841 k( 225) = ( 0.3333333 0.5773503 0.0403299), wk = 0.0039841 k( 226) = ( 0.3333333 0.5773503 0.0604948), wk = 0.0039841 k( 227) = ( 0.3333333 0.5773503 0.0806597), wk = 0.0039841 k( 228) = ( 0.3333333 0.5773503 0.1008247), wk = 0.0039841 k( 229) = ( 0.3333333 0.5773503 0.1209896), wk = 0.0039841 k( 230) = ( 0.3333333 0.5773503 0.1411545), wk = 0.0039841 k( 231) = ( 0.3333333 0.5773503 0.1613194), wk = 0.0039841 k( 232) = ( 0.3333333 0.5773503 0.1814844), wk = 0.0039841 k( 233) = ( 0.3333333 0.5773503 0.2016493), wk = 0.0039841 k( 234) = ( 0.3333333 0.5773503 0.2218142), wk = 0.0039841 k( 235) = ( 0.3333333 0.5773503 0.2419792), wk = 0.0039841 k( 236) = ( 0.3333333 0.5773503 0.2621441), wk = 0.0039841 k( 237) = ( 0.3333333 0.5773503 0.2823090), wk = 0.0039841 k( 238) = ( 0.3333333 0.5773503 0.3024740), wk = 0.0039841 k( 239) = ( 0.3333333 0.5773503 0.3226389), wk = 0.0039841 k( 240) = ( 0.3333333 0.5773503 0.3428038), wk = 0.0039841 k( 241) = ( 0.3333333 0.5773503 0.3629688), wk = 0.0039841 k( 242) = ( 0.3333333 0.5773503 0.3831337), wk = 0.0039841 k( 243) = ( 0.3333333 0.5773503 0.4032986), wk = 0.0039841 k( 244) = ( 0.3333333 0.5773503 0.4234636), wk = 0.0039841 k( 245) = ( 0.3333333 0.5773503 0.4436285), wk = 0.0039841 k( 246) = ( 0.3333333 0.5773503 0.4637934), wk = 0.0039841 k( 247) = ( 0.3333333 0.5773503 0.4839584), wk = 0.0039841 k( 248) = ( 0.3333333 0.5773503 0.5041233), wk = 0.0039841 k( 249) = ( 0.3333333 0.5773503 0.5242882), wk = 0.0039841 k( 250) = ( 0.3333333 0.5773503 0.5444532), wk = 0.0039841 k( 251) = ( 0.3333333 0.5773503 0.5646181), wk = 0.0039841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0039841 k( 3) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0039841 k( 4) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0039841 k( 5) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0039841 k( 6) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0039841 k( 7) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0039841 k( 8) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0039841 k( 9) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0039841 k( 10) = ( 0.1551724 -0.0000000 -0.0000000), wk = 0.0039841 k( 11) = ( 0.1724138 -0.0000000 0.0000000), wk = 0.0039841 k( 12) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0039841 k( 13) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0039841 k( 14) = ( 0.2241379 -0.0000000 -0.0000000), wk = 0.0039841 k( 15) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0039841 k( 16) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0039841 k( 17) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0039841 k( 18) = ( 0.2931034 -0.0000000 0.0000000), wk = 0.0039841 k( 19) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0039841 k( 20) = ( 0.3275862 -0.0000000 0.0000000), wk = 0.0039841 k( 21) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0039841 k( 22) = ( 0.3620690 0.0000000 -0.0000000), wk = 0.0039841 k( 23) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0039841 k( 24) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0039841 k( 25) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0039841 k( 26) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0039841 k( 27) = ( 0.4482759 -0.0000000 -0.0000000), wk = 0.0039841 k( 28) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0039841 k( 29) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0039841 k( 30) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039841 k( 31) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039841 k( 32) = ( 0.4901961 0.0196078 -0.0000000), wk = 0.0039841 k( 33) = ( 0.4803922 0.0392157 -0.0000000), wk = 0.0039841 k( 34) = ( 0.4705882 0.0588235 0.0000000), wk = 0.0039841 k( 35) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0039841 k( 36) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0039841 k( 37) = ( 0.4411765 0.1176471 -0.0000000), wk = 0.0039841 k( 38) = ( 0.4313726 0.1372549 -0.0000000), wk = 0.0039841 k( 39) = ( 0.4215686 0.1568627 0.0000000), wk = 0.0039841 k( 40) = ( 0.4117647 0.1764706 -0.0000000), wk = 0.0039841 k( 41) = ( 0.4019608 0.1960784 0.0000000), wk = 0.0039841 k( 42) = ( 0.3921569 0.2156863 -0.0000000), wk = 0.0039841 k( 43) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0039841 k( 44) = ( 0.3725490 0.2549020 -0.0000000), wk = 0.0039841 k( 45) = ( 0.3627451 0.2745098 -0.0000000), wk = 0.0039841 k( 46) = ( 0.3529412 0.2941177 0.0000000), wk = 0.0039841 k( 47) = ( 0.3431373 0.3137255 -0.0000000), wk = 0.0039841 k( 48) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0039841 k( 49) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0039841 k( 50) = ( 0.3232323 0.3232323 0.0000000), wk = 0.0039841 k( 51) = ( 0.3131313 0.3131313 0.0000000), wk = 0.0039841 k( 52) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0039841 k( 53) = ( 0.2929293 0.2929293 -0.0000000), wk = 0.0039841 k( 54) = ( 0.2828283 0.2828283 -0.0000000), wk = 0.0039841 k( 55) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0039841 k( 56) = ( 0.2626263 0.2626263 0.0000000), wk = 0.0039841 k( 57) = ( 0.2525252 0.2525252 -0.0000000), wk = 0.0039841 k( 58) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0039841 k( 59) = ( 0.2323232 0.2323232 -0.0000000), wk = 0.0039841 k( 60) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0039841 k( 61) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0039841 k( 62) = ( 0.2020202 0.2020202 0.0000000), wk = 0.0039841 k( 63) = ( 0.1919192 0.1919192 -0.0000000), wk = 0.0039841 k( 64) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0039841 k( 65) = ( 0.1717172 0.1717172 0.0000000), wk = 0.0039841 k( 66) = ( 0.1616162 0.1616162 0.0000000), wk = 0.0039841 k( 67) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0039841 k( 68) = ( 0.1414141 0.1414141 -0.0000000), wk = 0.0039841 k( 69) = ( 0.1313131 0.1313131 0.0000000), wk = 0.0039841 k( 70) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0039841 k( 71) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0039841 k( 72) = ( 0.1010101 0.1010101 0.0000000), wk = 0.0039841 k( 73) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0039841 k( 74) = ( 0.0808081 0.0808081 0.0000000), wk = 0.0039841 k( 75) = ( 0.0707071 0.0707071 -0.0000000), wk = 0.0039841 k( 76) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0039841 k( 77) = ( 0.0505051 0.0505051 0.0000000), wk = 0.0039841 k( 78) = ( 0.0404040 0.0404040 0.0000000), wk = 0.0039841 k( 79) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0039841 k( 80) = ( 0.0202020 0.0202020 0.0000000), wk = 0.0039841 k( 81) = ( 0.0101010 0.0101010 0.0000000), wk = 0.0039841 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 84) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0039841 k( 85) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0039841 k( 86) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0039841 k( 87) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0039841 k( 88) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0039841 k( 89) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0039841 k( 90) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0039841 k( 91) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0039841 k( 92) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0039841 k( 93) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0039841 k( 94) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0039841 k( 95) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0039841 k( 96) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0039841 k( 97) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039841 k( 98) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0039841 k( 99) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0039841 k( 100) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0039841 k( 101) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0039841 k( 102) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0039841 k( 103) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0039841 k( 104) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0039841 k( 105) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0039841 k( 106) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0039841 k( 107) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0039841 k( 108) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0039841 k( 109) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0039841 k( 110) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0039841 k( 111) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 112) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 113) = ( 0.0172414 -0.0000000 0.5000000), wk = 0.0039841 k( 114) = ( 0.0344828 -0.0000000 0.5000000), wk = 0.0039841 k( 115) = ( 0.0517241 -0.0000000 0.5000000), wk = 0.0039841 k( 116) = ( 0.0689655 -0.0000000 0.5000000), wk = 0.0039841 k( 117) = ( 0.0862069 -0.0000000 0.5000000), wk = 0.0039841 k( 118) = ( 0.1034483 -0.0000000 0.5000000), wk = 0.0039841 k( 119) = ( 0.1206897 -0.0000000 0.5000000), wk = 0.0039841 k( 120) = ( 0.1379310 -0.0000000 0.5000000), wk = 0.0039841 k( 121) = ( 0.1551724 -0.0000000 0.5000000), wk = 0.0039841 k( 122) = ( 0.1724138 -0.0000000 0.5000000), wk = 0.0039841 k( 123) = ( 0.1896552 -0.0000000 0.5000000), wk = 0.0039841 k( 124) = ( 0.2068966 -0.0000000 0.5000000), wk = 0.0039841 k( 125) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0039841 k( 126) = ( 0.2413793 -0.0000000 0.5000000), wk = 0.0039841 k( 127) = ( 0.2586207 -0.0000000 0.5000000), wk = 0.0039841 k( 128) = ( 0.2758621 -0.0000000 0.5000000), wk = 0.0039841 k( 129) = ( 0.2931034 -0.0000000 0.5000000), wk = 0.0039841 k( 130) = ( 0.3103448 -0.0000000 0.5000000), wk = 0.0039841 k( 131) = ( 0.3275862 -0.0000000 0.5000000), wk = 0.0039841 k( 132) = ( 0.3448276 -0.0000000 0.5000000), wk = 0.0039841 k( 133) = ( 0.3620690 0.0000000 0.5000000), wk = 0.0039841 k( 134) = ( 0.3793103 -0.0000000 0.5000000), wk = 0.0039841 k( 135) = ( 0.3965517 -0.0000000 0.5000000), wk = 0.0039841 k( 136) = ( 0.4137931 -0.0000000 0.5000000), wk = 0.0039841 k( 137) = ( 0.4310345 -0.0000000 0.5000000), wk = 0.0039841 k( 138) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0039841 k( 139) = ( 0.4655172 -0.0000000 0.5000000), wk = 0.0039841 k( 140) = ( 0.4827586 -0.0000000 0.5000000), wk = 0.0039841 k( 141) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039841 k( 142) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039841 k( 143) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0039841 k( 144) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0039841 k( 145) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0039841 k( 146) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0039841 k( 147) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0039841 k( 148) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0039841 k( 149) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0039841 k( 150) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0039841 k( 151) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0039841 k( 152) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0039841 k( 153) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0039841 k( 154) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0039841 k( 155) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0039841 k( 156) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0039841 k( 157) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0039841 k( 158) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0039841 k( 159) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0039841 k( 160) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0039841 k( 161) = ( 0.3232323 0.3232323 0.5000000), wk = 0.0039841 k( 162) = ( 0.3131313 0.3131313 0.5000000), wk = 0.0039841 k( 163) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0039841 k( 164) = ( 0.2929293 0.2929293 0.5000000), wk = 0.0039841 k( 165) = ( 0.2828283 0.2828283 0.5000000), wk = 0.0039841 k( 166) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0039841 k( 167) = ( 0.2626263 0.2626263 0.5000000), wk = 0.0039841 k( 168) = ( 0.2525252 0.2525252 0.5000000), wk = 0.0039841 k( 169) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0039841 k( 170) = ( 0.2323232 0.2323232 0.5000000), wk = 0.0039841 k( 171) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0039841 k( 172) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0039841 k( 173) = ( 0.2020202 0.2020202 0.5000000), wk = 0.0039841 k( 174) = ( 0.1919192 0.1919192 0.5000000), wk = 0.0039841 k( 175) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0039841 k( 176) = ( 0.1717172 0.1717172 0.5000000), wk = 0.0039841 k( 177) = ( 0.1616162 0.1616162 0.5000000), wk = 0.0039841 k( 178) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0039841 k( 179) = ( 0.1414141 0.1414141 0.5000000), wk = 0.0039841 k( 180) = ( 0.1313131 0.1313131 0.5000000), wk = 0.0039841 k( 181) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0039841 k( 182) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0039841 k( 183) = ( 0.1010101 0.1010101 0.5000000), wk = 0.0039841 k( 184) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0039841 k( 185) = ( 0.0808081 0.0808081 0.5000000), wk = 0.0039841 k( 186) = ( 0.0707071 0.0707071 0.5000000), wk = 0.0039841 k( 187) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0039841 k( 188) = ( 0.0505051 0.0505051 0.5000000), wk = 0.0039841 k( 189) = ( 0.0404040 0.0404040 0.5000000), wk = 0.0039841 k( 190) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0039841 k( 191) = ( 0.0202020 0.0202020 0.5000000), wk = 0.0039841 k( 192) = ( 0.0101010 0.0101010 0.5000000), wk = 0.0039841 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 194) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039841 k( 195) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0039841 k( 196) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0039841 k( 197) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0039841 k( 198) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0039841 k( 199) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0039841 k( 200) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0039841 k( 201) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0039841 k( 202) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0039841 k( 203) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0039841 k( 204) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0039841 k( 205) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0039841 k( 206) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0039841 k( 207) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0039841 k( 208) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0039841 k( 209) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0039841 k( 210) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0039841 k( 211) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0039841 k( 212) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0039841 k( 213) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0039841 k( 214) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0039841 k( 215) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0039841 k( 216) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0039841 k( 217) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0039841 k( 218) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0039841 k( 219) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0039841 k( 220) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0039841 k( 221) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0039841 k( 222) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039841 k( 223) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0039841 k( 224) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0039841 k( 225) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0039841 k( 226) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0039841 k( 227) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0039841 k( 228) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0039841 k( 229) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0039841 k( 230) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0039841 k( 231) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0039841 k( 232) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0039841 k( 233) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0039841 k( 234) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0039841 k( 235) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0039841 k( 236) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0039841 k( 237) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0039841 k( 238) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0039841 k( 239) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0039841 k( 240) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0039841 k( 241) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0039841 k( 242) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0039841 k( 243) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0039841 k( 244) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0039841 k( 245) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0039841 k( 246) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0039841 k( 247) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0039841 k( 248) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0039841 k( 249) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0039841 k( 250) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0039841 k( 251) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0039841 Dense grid: 137335 G-vectors FFT dimensions: ( 72, 72, 64) Smooth grid: 133129 G-vectors FFT dimensions: ( 72, 72, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.62 Mb ( 464, 88) NL pseudopotentials 0.74 Mb ( 232, 208) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1908) G-vector shells 0.01 Mb ( 936) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.49 Mb ( 464, 352) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.56 Mb ( 208, 2, 88) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./CoH3xCNx6.save/charge-density.dat Starting wfc are 122 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 9.2 secs Computing kpt #: 5 total cpu time spent up to now is 11.1 secs Computing kpt #: 6 total cpu time spent up to now is 13.0 secs Computing kpt #: 7 total cpu time spent up to now is 15.0 secs Computing kpt #: 8 total cpu time spent up to now is 16.9 secs Computing kpt #: 9 total cpu time spent up to now is 18.8 secs Computing kpt #: 10 total cpu time spent up to now is 20.8 secs Computing kpt #: 11 total cpu time spent up to now is 22.7 secs Computing kpt #: 12 total cpu time spent up to now is 24.4 secs Computing kpt #: 13 total cpu time spent up to now is 26.0 secs Computing kpt #: 14 total cpu time spent up to now is 28.0 secs Computing kpt #: 15 total cpu time spent up to now is 29.7 secs Computing kpt #: 16 total cpu time spent up to now is 31.4 secs Computing kpt #: 17 total cpu time spent up to now is 33.0 secs Computing kpt #: 18 total cpu time spent up to now is 34.6 secs Computing kpt #: 19 total cpu time spent up to now is 36.3 secs Computing kpt #: 20 total cpu time spent up to now is 38.0 secs Computing kpt #: 21 total cpu time spent up to now is 39.6 secs Computing kpt #: 22 total cpu time spent up to now is 41.2 secs Computing kpt #: 23 total cpu time spent up to now is 43.1 secs Computing kpt #: 24 total cpu time spent up to now is 44.7 secs Computing kpt #: 25 total cpu time spent up to now is 46.4 secs Computing kpt #: 26 total cpu time spent up to now is 48.1 secs Computing kpt #: 27 total cpu time spent up to now is 49.7 secs Computing kpt #: 28 total cpu time spent up to now is 51.5 secs Computing kpt #: 29 total cpu time spent up to now is 53.1 secs Computing kpt #: 30 total cpu time spent up to now is 54.7 secs Computing kpt #: 31 total cpu time spent up to now is 56.4 secs Computing kpt #: 32 total cpu time spent up to now is 58.0 secs Computing kpt #: 33 total cpu time spent up to now is 59.7 secs Computing kpt #: 34 total cpu time spent up to now is 61.5 secs Computing kpt #: 35 total cpu time spent up to now is 63.2 secs Computing kpt #: 36 total cpu time spent up to now is 65.1 secs Computing kpt #: 37 total cpu time spent up to now is 66.9 secs Computing kpt #: 38 total cpu time spent up to now is 68.8 secs Computing kpt #: 39 total cpu time spent up to now is 70.7 secs Computing kpt #: 40 total cpu time spent up to now is 72.6 secs Computing kpt #: 41 total cpu time spent up to now is 74.5 secs Computing kpt #: 42 total cpu time spent up to now is 76.4 secs Computing kpt #: 43 total cpu time spent up to now is 78.3 secs Computing kpt #: 44 total cpu time spent up to now is 80.2 secs Computing kpt #: 45 total cpu time spent up to now is 82.2 secs Computing kpt #: 46 total cpu time spent up to now is 84.2 secs Computing kpt #: 47 total cpu time spent up to now is 86.4 secs Computing kpt #: 48 total cpu time spent up to now is 88.5 secs Computing kpt #: 49 total cpu time spent up to now is 92.2 secs Computing kpt #: 50 total cpu time spent up to now is 94.4 secs Computing kpt #: 51 total cpu time spent up to now is 96.5 secs Computing kpt #: 52 total cpu time spent up to now is 98.5 secs Computing kpt #: 53 total cpu time spent up to now is 100.6 secs Computing kpt #: 54 total cpu time spent up to now is 102.9 secs Computing kpt #: 55 total cpu time spent up to now is 104.9 secs Computing kpt #: 56 total cpu time spent up to now is 106.9 secs Computing kpt #: 57 total cpu time spent up to now is 108.8 secs Computing kpt #: 58 total cpu time spent up to now is 110.7 secs Computing kpt #: 59 total cpu time spent up to now is 112.7 secs Computing kpt #: 60 total cpu time spent up to now is 114.6 secs Computing kpt #: 61 total cpu time spent up to now is 116.4 secs Computing kpt #: 62 total cpu time spent up to now is 118.4 secs Computing kpt #: 63 total cpu time spent up to now is 120.6 secs Computing kpt #: 64 total cpu time spent up to now is 122.5 secs Computing kpt #: 65 total cpu time spent up to now is 124.1 secs Computing kpt #: 66 total cpu time spent up to now is 125.8 secs Computing kpt #: 67 total cpu time spent up to now is 127.5 secs Computing kpt #: 68 total cpu time spent up to now is 129.2 secs Computing kpt #: 69 total cpu time spent up to now is 130.9 secs Computing kpt #: 70 total cpu time spent up to now is 132.6 secs Computing kpt #: 71 total cpu time spent up to now is 134.2 secs Computing kpt #: 72 total cpu time spent up to now is 135.9 secs Computing kpt #: 73 total cpu time spent up to now is 137.6 secs Computing kpt #: 74 total cpu time spent up to now is 139.3 secs Computing kpt #: 75 total cpu time spent up to now is 141.0 secs Computing kpt #: 76 total cpu time spent up to now is 142.7 secs Computing kpt #: 77 total cpu time spent up to now is 144.4 secs Computing kpt #: 78 total cpu time spent up to now is 146.3 secs Computing kpt #: 79 total cpu time spent up to now is 148.3 secs Computing kpt #: 80 total cpu time spent up to now is 150.3 secs Computing kpt #: 81 total cpu time spent up to now is 152.2 secs Computing kpt #: 82 total cpu time spent up to now is 154.1 secs Computing kpt #: 83 total cpu time spent up to now is 156.1 secs Computing kpt #: 84 total cpu time spent up to now is 158.0 secs Computing kpt #: 85 total cpu time spent up to now is 159.9 secs Computing kpt #: 86 total cpu time spent up to now is 161.8 secs Computing kpt #: 87 total cpu time spent up to now is 163.8 secs Computing kpt #: 88 total cpu time spent up to now is 165.7 secs Computing kpt #: 89 total cpu time spent up to now is 167.6 secs Computing kpt #: 90 total cpu time spent up to now is 169.5 secs Computing kpt #: 91 total cpu time spent up to now is 171.4 secs Computing kpt #: 92 total cpu time spent up to now is 173.3 secs Computing kpt #: 93 total cpu time spent up to now is 175.3 secs Computing kpt #: 94 total cpu time spent up to now is 177.1 secs Computing kpt #: 95 total cpu time spent up to now is 179.0 secs Computing kpt #: 96 total cpu time spent up to now is 180.9 secs Computing kpt #: 97 total cpu time spent up to now is 182.8 secs Computing kpt #: 98 total cpu time spent up to now is 184.7 secs Computing kpt #: 99 total cpu time spent up to now is 186.6 secs Computing kpt #: 100 total cpu time spent up to now is 188.5 secs Computing kpt #: 101 total cpu time spent up to now is 190.4 secs Computing kpt #: 102 total cpu time spent up to now is 192.3 secs Computing kpt #: 103 total cpu time spent up to now is 194.2 secs Computing kpt #: 104 total cpu time spent up to now is 196.3 secs Computing kpt #: 105 total cpu time spent up to now is 198.8 secs Computing kpt #: 106 total cpu time spent up to now is 201.2 secs Computing kpt #: 107 total cpu time spent up to now is 204.5 secs Computing kpt #: 108 total cpu time spent up to now is 207.7 secs Computing kpt #: 109 total cpu time spent up to now is 211.1 secs Computing kpt #: 110 total cpu time spent up to now is 215.4 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.0 secs Computing kpt #: 112 total cpu time spent up to now is 223.2 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 227.8 secs Computing kpt #: 114 total cpu time spent up to now is 231.1 secs Computing kpt #: 115 total cpu time spent up to now is 233.5 secs Computing kpt #: 116 total cpu time spent up to now is 235.6 secs Computing kpt #: 117 total cpu time spent up to now is 237.7 secs Computing kpt #: 118 total cpu time spent up to now is 239.7 secs Computing kpt #: 119 total cpu time spent up to now is 241.5 secs Computing kpt #: 120 total cpu time spent up to now is 243.4 secs Computing kpt #: 121 total cpu time spent up to now is 245.3 secs Computing kpt #: 122 total cpu time spent up to now is 247.2 secs Computing kpt #: 123 total cpu time spent up to now is 249.1 secs Computing kpt #: 124 total cpu time spent up to now is 250.8 secs Computing kpt #: 125 total cpu time spent up to now is 252.5 secs Computing kpt #: 126 total cpu time spent up to now is 254.2 secs Computing kpt #: 127 total cpu time spent up to now is 255.8 secs Computing kpt #: 128 total cpu time spent up to now is 257.5 secs Computing kpt #: 129 total cpu time spent up to now is 259.3 secs Computing kpt #: 130 total cpu time spent up to now is 261.1 secs Computing kpt #: 131 total cpu time spent up to now is 262.7 secs Computing kpt #: 132 total cpu time spent up to now is 264.3 secs Computing kpt #: 133 total cpu time spent up to now is 266.0 secs Computing kpt #: 134 total cpu time spent up to now is 267.7 secs Computing kpt #: 135 total cpu time spent up to now is 269.3 secs Computing kpt #: 136 total cpu time spent up to now is 271.0 secs Computing kpt #: 137 total cpu time spent up to now is 272.6 secs Computing kpt #: 138 total cpu time spent up to now is 274.5 secs Computing kpt #: 139 total cpu time spent up to now is 276.2 secs Computing kpt #: 140 total cpu time spent up to now is 278.0 secs Computing kpt #: 141 total cpu time spent up to now is 279.7 secs Computing kpt #: 142 total cpu time spent up to now is 281.3 secs Computing kpt #: 143 total cpu time spent up to now is 282.9 secs Computing kpt #: 144 total cpu time spent up to now is 284.5 secs Computing kpt #: 145 total cpu time spent up to now is 286.1 secs Computing kpt #: 146 total cpu time spent up to now is 287.8 secs Computing kpt #: 147 total cpu time spent up to now is 289.4 secs Computing kpt #: 148 total cpu time spent up to now is 291.0 secs Computing kpt #: 149 total cpu time spent up to now is 292.7 secs Computing kpt #: 150 total cpu time spent up to now is 294.3 secs Computing kpt #: 151 total cpu time spent up to now is 296.0 secs Computing kpt #: 152 total cpu time spent up to now is 297.6 secs Computing kpt #: 153 total cpu time spent up to now is 299.3 secs Computing kpt #: 154 total cpu time spent up to now is 301.0 secs Computing kpt #: 155 total cpu time spent up to now is 302.7 secs Computing kpt #: 156 total cpu time spent up to now is 304.3 secs Computing kpt #: 157 total cpu time spent up to now is 306.0 secs Computing kpt #: 158 total cpu time spent up to now is 307.7 secs Computing kpt #: 159 total cpu time spent up to now is 309.6 secs Computing kpt #: 160 total cpu time spent up to now is 311.6 secs Computing kpt #: 161 total cpu time spent up to now is 313.3 secs Computing kpt #: 162 total cpu time spent up to now is 315.0 secs Computing kpt #: 163 total cpu time spent up to now is 316.7 secs Computing kpt #: 164 total cpu time spent up to now is 318.3 secs Computing kpt #: 165 total cpu time spent up to now is 320.0 secs Computing kpt #: 166 total cpu time spent up to now is 321.6 secs Computing kpt #: 167 total cpu time spent up to now is 323.2 secs Computing kpt #: 168 total cpu time spent up to now is 324.9 secs Computing kpt #: 169 total cpu time spent up to now is 326.5 secs Computing kpt #: 170 total cpu time spent up to now is 328.2 secs Computing kpt #: 171 total cpu time spent up to now is 329.9 secs Computing kpt #: 172 total cpu time spent up to now is 331.5 secs Computing kpt #: 173 total cpu time spent up to now is 333.1 secs Computing kpt #: 174 total cpu time spent up to now is 334.7 secs Computing kpt #: 175 total cpu time spent up to now is 336.4 secs Computing kpt #: 176 total cpu time spent up to now is 338.1 secs Computing kpt #: 177 total cpu time spent up to now is 339.7 secs Computing kpt #: 178 total cpu time spent up to now is 341.4 secs Computing kpt #: 179 total cpu time spent up to now is 343.0 secs Computing kpt #: 180 total cpu time spent up to now is 344.7 secs Computing kpt #: 181 total cpu time spent up to now is 346.4 secs Computing kpt #: 182 total cpu time spent up to now is 348.1 secs Computing kpt #: 183 total cpu time spent up to now is 350.0 secs Computing kpt #: 184 total cpu time spent up to now is 351.9 secs Computing kpt #: 185 total cpu time spent up to now is 353.8 secs Computing kpt #: 186 total cpu time spent up to now is 355.7 secs Computing kpt #: 187 total cpu time spent up to now is 357.7 secs Computing kpt #: 188 total cpu time spent up to now is 359.7 secs Computing kpt #: 189 total cpu time spent up to now is 361.8 secs Computing kpt #: 190 total cpu time spent up to now is 363.9 secs Computing kpt #: 191 total cpu time spent up to now is 367.1 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.7 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 376.3 secs Computing kpt #: 194 total cpu time spent up to now is 377.9 secs Computing kpt #: 195 total cpu time spent up to now is 379.5 secs Computing kpt #: 196 total cpu time spent up to now is 381.1 secs Computing kpt #: 197 total cpu time spent up to now is 382.8 secs Computing kpt #: 198 total cpu time spent up to now is 384.4 secs Computing kpt #: 199 total cpu time spent up to now is 386.0 secs Computing kpt #: 200 total cpu time spent up to now is 387.6 secs Computing kpt #: 201 total cpu time spent up to now is 389.3 secs Computing kpt #: 202 total cpu time spent up to now is 390.9 secs Computing kpt #: 203 total cpu time spent up to now is 392.8 secs Computing kpt #: 204 total cpu time spent up to now is 394.7 secs Computing kpt #: 205 total cpu time spent up to now is 396.6 secs Computing kpt #: 206 total cpu time spent up to now is 398.7 secs Computing kpt #: 207 total cpu time spent up to now is 400.6 secs Computing kpt #: 208 total cpu time spent up to now is 402.5 secs Computing kpt #: 209 total cpu time spent up to now is 404.5 secs Computing kpt #: 210 total cpu time spent up to now is 406.3 secs Computing kpt #: 211 total cpu time spent up to now is 408.2 secs Computing kpt #: 212 total cpu time spent up to now is 410.1 secs Computing kpt #: 213 total cpu time spent up to now is 412.0 secs Computing kpt #: 214 total cpu time spent up to now is 413.7 secs Computing kpt #: 215 total cpu time spent up to now is 415.3 secs Computing kpt #: 216 total cpu time spent up to now is 417.0 secs Computing kpt #: 217 total cpu time spent up to now is 418.7 secs Computing kpt #: 218 total cpu time spent up to now is 420.8 secs Computing kpt #: 219 total cpu time spent up to now is 422.4 secs Computing kpt #: 220 total cpu time spent up to now is 424.3 secs Computing kpt #: 221 total cpu time spent up to now is 426.1 secs Computing kpt #: 222 total cpu time spent up to now is 427.7 secs Computing kpt #: 223 total cpu time spent up to now is 429.8 secs Computing kpt #: 224 total cpu time spent up to now is 431.9 secs Computing kpt #: 225 total cpu time spent up to now is 434.0 secs Computing kpt #: 226 total cpu time spent up to now is 436.0 secs Computing kpt #: 227 total cpu time spent up to now is 438.1 secs Computing kpt #: 228 total cpu time spent up to now is 440.0 secs Computing kpt #: 229 total cpu time spent up to now is 442.0 secs Computing kpt #: 230 total cpu time spent up to now is 443.9 secs Computing kpt #: 231 total cpu time spent up to now is 445.8 secs Computing kpt #: 232 total cpu time spent up to now is 447.7 secs Computing kpt #: 233 total cpu time spent up to now is 449.6 secs Computing kpt #: 234 total cpu time spent up to now is 451.5 secs Computing kpt #: 235 total cpu time spent up to now is 453.2 secs Computing kpt #: 236 total cpu time spent up to now is 454.8 secs Computing kpt #: 237 total cpu time spent up to now is 456.5 secs Computing kpt #: 238 total cpu time spent up to now is 458.1 secs Computing kpt #: 239 total cpu time spent up to now is 459.7 secs Computing kpt #: 240 total cpu time spent up to now is 461.3 secs Computing kpt #: 241 total cpu time spent up to now is 462.9 secs Computing kpt #: 242 total cpu time spent up to now is 464.9 secs Computing kpt #: 243 total cpu time spent up to now is 466.6 secs Computing kpt #: 244 total cpu time spent up to now is 468.2 secs Computing kpt #: 245 total cpu time spent up to now is 469.8 secs Computing kpt #: 246 total cpu time spent up to now is 471.5 secs Computing kpt #: 247 total cpu time spent up to now is 473.4 secs Computing kpt #: 248 total cpu time spent up to now is 475.4 secs Computing kpt #: 249 total cpu time spent up to now is 477.3 secs Computing kpt #: 250 total cpu time spent up to now is 479.2 secs Computing kpt #: 251 total cpu time spent up to now is 481.2 secs ethr = 1.35E-08, avg # of iterations = 25.3 total cpu time spent up to now is 481.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16591 PWs) bands (ev): -91.3592 -91.3592 -57.0119 -57.0119 -55.2919 -55.2919 -55.2470 -55.2470 -16.5701 -16.5701 -16.2303 -16.2303 -16.2303 -16.2303 -16.0871 -16.0871 -16.0868 -16.0868 -16.0774 -16.0774 -8.4743 -8.4743 -7.8156 -7.8156 -7.8154 -7.8154 -6.2977 -6.2977 -4.7024 -4.7024 -4.6535 -4.6535 -4.6395 -4.6395 -4.2283 -4.2283 -4.2252 -4.2252 -3.4128 -3.4128 -2.9419 -2.9419 -2.9246 -2.9246 -2.6495 -2.6495 -2.4846 -2.4846 -2.4831 -2.4831 -2.3249 -2.3249 -2.1660 -2.1660 -2.1561 -2.1561 -1.6891 -1.6891 -1.5374 -1.5374 -1.5311 -1.5311 -1.2802 -1.2802 -0.9721 -0.9721 -0.9612 -0.9612 -0.2803 -0.2803 -0.0746 -0.0746 -0.0114 -0.0114 4.1676 4.1676 4.1690 4.1690 5.8717 5.8717 6.0579 6.0579 6.1522 6.1522 6.3600 6.3600 6.3662 6.3662 k = 0.0172 0.0100-0.0000 ( 16615 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5699 -16.5699 -16.2306 -16.2306 -16.2305 -16.2305 -16.0871 -16.0871 -16.0868 -16.0868 -16.0773 -16.0773 -8.4737 -8.4737 -7.8158 -7.8158 -7.8156 -7.8156 -6.2998 -6.2998 -4.7028 -4.7028 -4.6531 -4.6531 -4.6388 -4.6388 -4.2273 -4.2273 -4.2242 -4.2242 -3.4128 -3.4128 -2.9431 -2.9431 -2.9257 -2.9257 -2.6462 -2.6462 -2.4841 -2.4841 -2.4824 -2.4824 -2.3257 -2.3257 -2.1667 -2.1667 -2.1567 -2.1567 -1.6884 -1.6884 -1.5386 -1.5386 -1.5322 -1.5322 -1.2789 -1.2789 -0.9729 -0.9729 -0.9620 -0.9620 -0.2801 -0.2801 -0.0751 -0.0751 -0.0119 -0.0119 4.1674 4.1674 4.1687 4.1687 5.8709 5.8709 6.0546 6.0546 6.1513 6.1513 6.3437 6.3437 6.3530 6.3530 k = 0.0345 0.0199-0.0000 ( 16608 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2471 -55.2471 -16.5692 -16.5692 -16.2313 -16.2313 -16.2311 -16.2311 -16.0871 -16.0871 -16.0864 -16.0864 -16.0770 -16.0770 -8.4718 -8.4718 -7.8162 -7.8162 -7.8159 -7.8159 -6.3059 -6.3059 -4.7041 -4.7041 -4.6525 -4.6525 -4.6359 -4.6359 -4.2244 -4.2244 -4.2197 -4.2197 -3.4130 -3.4130 -2.9473 -2.9473 -2.9276 -2.9276 -2.6368 -2.6368 -2.4832 -2.4832 -2.4798 -2.4798 -2.3282 -2.3282 -2.1688 -2.1688 -2.1585 -2.1585 -1.6862 -1.6862 -1.5427 -1.5427 -1.5347 -1.5347 -1.2753 -1.2753 -0.9753 -0.9753 -0.9641 -0.9641 -0.2799 -0.2799 -0.0755 -0.0755 -0.0123 -0.0123 4.1684 4.1684 4.1698 4.1698 5.8683 5.8683 6.0451 6.0451 6.1484 6.1484 6.3255 6.3255 6.3374 6.3374 k = 0.0517 0.0299-0.0000 ( 16618 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5680 -16.5680 -16.2325 -16.2325 -16.2320 -16.2320 -16.0872 -16.0872 -16.0859 -16.0859 -16.0766 -16.0766 -8.4686 -8.4686 -7.8171 -7.8171 -7.8165 -7.8165 -6.3159 -6.3159 -4.7063 -4.7063 -4.6530 -4.6530 -4.6294 -4.6294 -4.2206 -4.2206 -4.2117 -4.2117 -3.4133 -3.4133 -2.9558 -2.9558 -2.9287 -2.9287 -2.6221 -2.6221 -2.4821 -2.4821 -2.4752 -2.4752 -2.3323 -2.3323 -2.1727 -2.1727 -2.1610 -2.1610 -1.6826 -1.6826 -1.5504 -1.5504 -1.5376 -1.5376 -1.2696 -1.2696 -0.9798 -0.9798 -0.9670 -0.9670 -0.2798 -0.2798 -0.0766 -0.0766 -0.0133 -0.0133 4.1693 4.1693 4.1717 4.1717 5.8639 5.8639 6.0300 6.0300 6.1435 6.1435 6.3088 6.3088 6.3274 6.3274 k = 0.0690 0.0398-0.0000 ( 16610 PWs) bands (ev): -91.3594 -91.3594 -57.0119 -57.0119 -55.2920 -55.2920 -55.2471 -55.2471 -16.5663 -16.5663 -16.2343 -16.2343 -16.2333 -16.2333 -16.0874 -16.0874 -16.0851 -16.0851 -16.0760 -16.0760 -8.4641 -8.4641 -7.8183 -7.8183 -7.8173 -7.8173 -6.3296 -6.3296 -4.7096 -4.7096 -4.6548 -4.6548 -4.6194 -4.6194 -4.2153 -4.2153 -4.2004 -4.2004 -3.4137 -3.4137 -2.9676 -2.9676 -2.9283 -2.9283 -2.6032 -2.6032 -2.4806 -2.4806 -2.4688 -2.4688 -2.3379 -2.3379 -2.1786 -2.1786 -2.1638 -2.1638 -1.6776 -1.6776 -1.5608 -1.5608 -1.5411 -1.5411 -1.2624 -1.2624 -0.9865 -0.9865 -0.9705 -0.9705 -0.2795 -0.2795 -0.0777 -0.0777 -0.0140 -0.0140 4.1703 4.1703 4.1751 4.1751 5.8575 5.8575 6.0105 6.0105 6.1362 6.1362 6.2940 6.2940 6.3232 6.3232 k = 0.0862 0.0498-0.0000 ( 16622 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5641 -16.5641 -16.2365 -16.2365 -16.2349 -16.2349 -16.0876 -16.0876 -16.0843 -16.0843 -16.0752 -16.0752 -8.4584 -8.4584 -7.8198 -7.8198 -7.8182 -7.8182 -6.3467 -6.3467 -4.7139 -4.7139 -4.6573 -4.6573 -4.6065 -4.6065 -4.2084 -4.2084 -4.1864 -4.1864 -3.4141 -3.4141 -2.9817 -2.9817 -2.9272 -2.9272 -2.5811 -2.5811 -2.4788 -2.4788 -2.4607 -2.4607 -2.3452 -2.3452 -2.1865 -2.1865 -2.1669 -2.1669 -1.6713 -1.6713 -1.5734 -1.5734 -1.5454 -1.5454 -1.2542 -1.2542 -0.9956 -0.9956 -0.9744 -0.9744 -0.2794 -0.2794 -0.0796 -0.0796 -0.0153 -0.0153 4.1716 4.1716 4.1789 4.1789 5.8490 5.8490 5.9882 5.9882 6.1266 6.1266 6.2816 6.2816 6.3239 6.3239 k = 0.1034 0.0597-0.0000 ( 16610 PWs) bands (ev): -91.3594 -91.3594 -57.0119 -57.0119 -55.2920 -55.2920 -55.2471 -55.2471 -16.5615 -16.5615 -16.2392 -16.2392 -16.2368 -16.2368 -16.0878 -16.0878 -16.0834 -16.0834 -16.0741 -16.0741 -8.4515 -8.4515 -7.8217 -7.8217 -7.8193 -7.8193 -6.3668 -6.3668 -4.7192 -4.7192 -4.6602 -4.6602 -4.5914 -4.5914 -4.1994 -4.1994 -4.1698 -4.1698 -3.4146 -3.4146 -2.9967 -2.9967 -2.9253 -2.9253 -2.5565 -2.5565 -2.4767 -2.4767 -2.4512 -2.4512 -2.3540 -2.3540 -2.1961 -2.1961 -2.1704 -2.1704 -1.6638 -1.6638 -1.5873 -1.5873 -1.5506 -1.5506 -1.2455 -1.2455 -1.0067 -1.0067 -0.9788 -0.9788 -0.2791 -0.2791 -0.0819 -0.0819 -0.0163 -0.0163 4.1734 4.1734 4.1841 4.1841 5.8381 5.8381 5.9648 5.9648 6.1146 6.1146 6.2718 6.2718 6.3285 6.3285 k = 0.1207 0.0697-0.0000 ( 16624 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5584 -16.5584 -16.2424 -16.2424 -16.2389 -16.2389 -16.0881 -16.0881 -16.0825 -16.0825 -16.0727 -16.0727 -8.4434 -8.4434 -7.8240 -7.8240 -7.8207 -7.8207 -6.3897 -6.3897 -4.7254 -4.7254 -4.6633 -4.6633 -4.5750 -4.5750 -4.1884 -4.1884 -4.1511 -4.1511 -3.4152 -3.4152 -3.0120 -3.0120 -2.9231 -2.9231 -2.5304 -2.5304 -2.4743 -2.4743 -2.4404 -2.4404 -2.3643 -2.3643 -2.2070 -2.2070 -2.1742 -2.1742 -1.6550 -1.6550 -1.6021 -1.6021 -1.5567 -1.5567 -1.2366 -1.2366 -1.0196 -1.0196 -0.9838 -0.9838 -0.2792 -0.2792 -0.0851 -0.0851 -0.0175 -0.0175 4.1752 4.1752 4.1896 4.1896 5.8239 5.8239 5.9421 5.9421 6.1007 6.1007 6.2644 6.2644 6.3357 6.3357 k = 0.1379 0.0796-0.0000 ( 16622 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5548 -16.5548 -16.2461 -16.2461 -16.2412 -16.2412 -16.0885 -16.0885 -16.0816 -16.0816 -16.0711 -16.0711 -8.4341 -8.4341 -7.8266 -7.8266 -7.8221 -7.8221 -6.4148 -6.4148 -4.7322 -4.7322 -4.6664 -4.6664 -4.5577 -4.5577 -4.1750 -4.1750 -4.1304 -4.1304 -3.4158 -3.4158 -3.0272 -3.0272 -2.9204 -2.9204 -2.5033 -2.5033 -2.4717 -2.4717 -2.4286 -2.4286 -2.3760 -2.3760 -2.2189 -2.2189 -2.1784 -2.1784 -1.6453 -1.6453 -1.6173 -1.6173 -1.5637 -1.5637 -1.2278 -1.2278 -1.0341 -1.0341 -0.9894 -0.9894 -0.2794 -0.2794 -0.0888 -0.0888 -0.0185 -0.0185 4.1773 4.1773 4.1961 4.1961 5.8060 5.8060 5.9216 5.9216 6.0854 6.0854 6.2590 6.2590 6.3447 6.3447 k = 0.1552 0.0896-0.0000 ( 16616 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5509 -16.5509 -16.2502 -16.2502 -16.2437 -16.2437 -16.0888 -16.0888 -16.0809 -16.0809 -16.0692 -16.0692 -8.4237 -8.4237 -7.8297 -7.8297 -7.8237 -7.8237 -6.4419 -6.4419 -4.7395 -4.7395 -4.6694 -4.6694 -4.5405 -4.5405 -4.1591 -4.1591 -4.1081 -4.1081 -3.4164 -3.4164 -3.0417 -3.0417 -2.9174 -2.9174 -2.4762 -2.4762 -2.4691 -2.4691 -2.4160 -2.4160 -2.3886 -2.3886 -2.2310 -2.2310 -2.1830 -2.1830 -1.6360 -1.6360 -1.6311 -1.6311 -1.5717 -1.5717 -1.2194 -1.2194 -1.0499 -1.0499 -0.9956 -0.9956 -0.2797 -0.2797 -0.0933 -0.0933 -0.0190 -0.0190 4.1793 4.1793 4.2036 4.2036 5.7843 5.7843 5.9043 5.9043 6.0692 6.0692 6.2551 6.2551 6.3545 6.3545 k = 0.1724 0.0995-0.0000 ( 16612 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5464 -16.5464 -16.2548 -16.2548 -16.2463 -16.2463 -16.0892 -16.0892 -16.0802 -16.0802 -16.0671 -16.0671 -8.4122 -8.4122 -7.8332 -7.8332 -7.8254 -7.8254 -6.4704 -6.4704 -4.7472 -4.7472 -4.6725 -4.6725 -4.5236 -4.5236 -4.1404 -4.1404 -4.0844 -4.0844 -3.4171 -3.4171 -3.0554 -3.0554 -2.9141 -2.9141 -2.4672 -2.4672 -2.4501 -2.4501 -2.4044 -2.4044 -2.3997 -2.3997 -2.2426 -2.2426 -2.1880 -2.1880 -1.6483 -1.6483 -1.6223 -1.6223 -1.5807 -1.5807 -1.2115 -1.2115 -1.0667 -1.0667 -1.0024 -1.0024 -0.2803 -0.2803 -0.0985 -0.0985 -0.0194 -0.0194 4.1816 4.1816 4.2114 4.2114 5.7594 5.7594 5.8900 5.8900 6.0526 6.0526 6.2522 6.2522 6.3644 6.3644 k = 0.1897 0.1095-0.0000 ( 16612 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5416 -16.5416 -16.2598 -16.2598 -16.2490 -16.2490 -16.0896 -16.0896 -16.0795 -16.0795 -16.0649 -16.0649 -8.3996 -8.3996 -7.8372 -7.8372 -7.8272 -7.8272 -6.5000 -6.5000 -4.7550 -4.7550 -4.6755 -4.6755 -4.5078 -4.5078 -4.1191 -4.1191 -4.0595 -4.0595 -3.4179 -3.4179 -3.0680 -3.0680 -2.9107 -2.9107 -2.4663 -2.4663 -2.4291 -2.4291 -2.4146 -2.4146 -2.3855 -2.3855 -2.2523 -2.2523 -2.1934 -2.1934 -1.6631 -1.6631 -1.6100 -1.6100 -1.5905 -1.5905 -1.2042 -1.2042 -1.0844 -1.0844 -1.0098 -1.0098 -0.2812 -0.2812 -0.1046 -0.1046 -0.0196 -0.0196 4.1838 4.1838 4.2196 4.2196 5.7321 5.7321 5.8785 5.8785 6.0359 6.0359 6.2499 6.2499 6.3734 6.3734 k = 0.2069 0.1195-0.0000 ( 16628 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5363 -16.5363 -16.2653 -16.2653 -16.2517 -16.2517 -16.0900 -16.0900 -16.0789 -16.0789 -16.0627 -16.0627 -8.3861 -8.3861 -7.8416 -7.8416 -7.8291 -7.8291 -6.5304 -6.5304 -4.7628 -4.7628 -4.6784 -4.6784 -4.4933 -4.4933 -4.0953 -4.0953 -4.0337 -4.0337 -3.4188 -3.4188 -3.0793 -3.0793 -2.9071 -2.9071 -2.4688 -2.4688 -2.4268 -2.4268 -2.4139 -2.4139 -2.3649 -2.3649 -2.2583 -2.2583 -2.1992 -2.1992 -1.6774 -1.6774 -1.6022 -1.6022 -1.5959 -1.5959 -1.1976 -1.1976 -1.1027 -1.1027 -1.0177 -1.0177 -0.2826 -0.2826 -0.1116 -0.1116 -0.0196 -0.0196 4.1858 4.1858 4.2282 4.2282 5.7035 5.7035 5.8690 5.8690 6.0194 6.0194 6.2480 6.2480 6.3810 6.3810 k = 0.2241 0.1294-0.0000 ( 16626 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5307 -16.5307 -16.2711 -16.2711 -16.2544 -16.2544 -16.0904 -16.0904 -16.0783 -16.0783 -16.0603 -16.0603 -8.3716 -8.3716 -7.8465 -7.8465 -7.8310 -7.8310 -6.5612 -6.5612 -4.7705 -4.7705 -4.6813 -4.6813 -4.4802 -4.4802 -4.0690 -4.0690 -4.0071 -4.0071 -3.4197 -3.4197 -3.0891 -3.0891 -2.9037 -2.9037 -2.4770 -2.4770 -2.4317 -2.4317 -2.4106 -2.4106 -2.3407 -2.3407 -2.2587 -2.2587 -2.2053 -2.2053 -1.6911 -1.6911 -1.6133 -1.6133 -1.5827 -1.5827 -1.1918 -1.1918 -1.1214 -1.1214 -1.0262 -1.0262 -0.2841 -0.2841 -0.1190 -0.1190 -0.0193 -0.0193 4.1881 4.1881 4.2375 4.2375 5.6745 5.6745 5.8612 5.8612 6.0034 6.0034 6.2463 6.2463 6.3866 6.3866 k = 0.2414 0.1394-0.0000 ( 16632 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5247 -16.5247 -16.2773 -16.2773 -16.2571 -16.2571 -16.0908 -16.0908 -16.0777 -16.0777 -16.0580 -16.0580 -8.3563 -8.3563 -7.8519 -7.8519 -7.8330 -7.8330 -6.5920 -6.5920 -4.7780 -4.7780 -4.6841 -4.6841 -4.4687 -4.4687 -4.0406 -4.0406 -3.9799 -3.9799 -3.4209 -3.4209 -3.0974 -3.0974 -2.9003 -2.9003 -2.4905 -2.4905 -2.4320 -2.4320 -2.4150 -2.4150 -2.3161 -2.3161 -2.2520 -2.2520 -2.2118 -2.2118 -1.7040 -1.7040 -1.6256 -1.6256 -1.5686 -1.5686 -1.1868 -1.1868 -1.1401 -1.1401 -1.0351 -1.0351 -0.2861 -0.2861 -0.1271 -0.1271 -0.0187 -0.0187 4.1901 4.1901 4.2469 4.2469 5.6457 5.6457 5.8546 5.8546 5.9880 5.9880 6.2446 6.2446 6.3897 6.3897 k = 0.2586 0.1493-0.0000 ( 16642 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5183 -16.5183 -16.2839 -16.2839 -16.2598 -16.2598 -16.0912 -16.0912 -16.0771 -16.0771 -16.0557 -16.0557 -8.3402 -8.3402 -7.8579 -7.8579 -7.8350 -7.8350 -6.6226 -6.6226 -4.7853 -4.7853 -4.6868 -4.6868 -4.4587 -4.4587 -4.0107 -4.0107 -3.9524 -3.9524 -3.4223 -3.4223 -3.1041 -3.1041 -2.8973 -2.8973 -2.5067 -2.5067 -2.4302 -2.4302 -2.4249 -2.4249 -2.2934 -2.2934 -2.2383 -2.2383 -2.2186 -2.2186 -1.7161 -1.7161 -1.6385 -1.6385 -1.5541 -1.5541 -1.1830 -1.1830 -1.1584 -1.1584 -1.0444 -1.0444 -0.2884 -0.2884 -0.1357 -0.1357 -0.0181 -0.0181 4.1920 4.1920 4.2564 4.2564 5.6176 5.6176 5.8490 5.8490 5.9733 5.9733 6.2428 6.2428 6.3904 6.3904 k = 0.2759 0.1593-0.0000 ( 16662 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.5115 -16.5115 -16.2909 -16.2909 -16.2623 -16.2623 -16.0916 -16.0916 -16.0766 -16.0766 -16.0535 -16.0535 -8.3234 -8.3234 -7.8644 -7.8644 -7.8369 -7.8369 -6.6526 -6.6526 -4.7922 -4.7922 -4.6895 -4.6895 -4.4502 -4.4502 -3.9797 -3.9797 -3.9248 -3.9248 -3.4239 -3.4239 -3.1092 -3.1092 -2.8949 -2.8949 -2.5239 -2.5239 -2.4404 -2.4404 -2.4258 -2.4258 -2.2737 -2.2737 -2.2260 -2.2260 -2.2182 -2.2182 -1.7274 -1.7274 -1.6519 -1.6519 -1.5394 -1.5394 -1.1836 -1.1836 -1.1728 -1.1728 -1.0540 -1.0540 -0.2910 -0.2910 -0.1448 -0.1448 -0.0175 -0.0175 4.1936 4.1936 4.2657 4.2657 5.5904 5.5904 5.8443 5.8443 5.9594 5.9594 6.2409 6.2409 6.3887 6.3887 k = 0.2931 0.1692-0.0000 ( 16654 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.5045 -16.5045 -16.2982 -16.2982 -16.2648 -16.2648 -16.0920 -16.0920 -16.0761 -16.0761 -16.0514 -16.0514 -8.3060 -8.3060 -7.8716 -7.8716 -7.8388 -7.8388 -6.6817 -6.6817 -4.7986 -4.7986 -4.6921 -4.6921 -4.4428 -4.4428 -3.9481 -3.9481 -3.8971 -3.8971 -3.4256 -3.4256 -3.1126 -3.1126 -2.8933 -2.8933 -2.5411 -2.5411 -2.4572 -2.4572 -2.4218 -2.4218 -2.2567 -2.2567 -2.2330 -2.2330 -2.1950 -2.1950 -1.7378 -1.7378 -1.6656 -1.6656 -1.5246 -1.5246 -1.1979 -1.1979 -1.1738 -1.1738 -1.0638 -1.0638 -0.2935 -0.2935 -0.1539 -0.1539 -0.0164 -0.0164 4.1953 4.1953 4.2756 4.2756 5.5646 5.5646 5.8405 5.8405 5.9465 5.9465 6.2389 6.2389 6.3849 6.3849 k = 0.3103 0.1792-0.0000 ( 16644 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4971 -16.4971 -16.3057 -16.3057 -16.2671 -16.2671 -16.0923 -16.0923 -16.0756 -16.0756 -16.0493 -16.0493 -8.2882 -8.2882 -7.8793 -7.8793 -7.8407 -7.8407 -6.7096 -6.7096 -4.8046 -4.8046 -4.6945 -4.6945 -4.4366 -4.4366 -3.9165 -3.9165 -3.8696 -3.8696 -3.4276 -3.4276 -3.1145 -3.1145 -2.8925 -2.8925 -2.5575 -2.5575 -2.4756 -2.4756 -2.4176 -2.4176 -2.2420 -2.2420 -2.2400 -2.2400 -2.1699 -2.1699 -1.7472 -1.7472 -1.6792 -1.6792 -1.5098 -1.5098 -1.2150 -1.2150 -1.1721 -1.1721 -1.0736 -1.0736 -0.2962 -0.2962 -0.1631 -0.1631 -0.0151 -0.0151 4.1969 4.1969 4.2855 4.2855 5.5405 5.5405 5.8373 5.8373 5.9346 5.9346 6.2367 6.2367 6.3794 6.3794 k = 0.3276 0.1891-0.0000 ( 16648 PWs) bands (ev): -91.3597 -91.3597 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4894 -16.4894 -16.3136 -16.3136 -16.2693 -16.2693 -16.0927 -16.0927 -16.0751 -16.0751 -16.0474 -16.0474 -8.2700 -8.2700 -7.8876 -7.8876 -7.8425 -7.8425 -6.7362 -6.7362 -4.8102 -4.8102 -4.6968 -4.6968 -4.4314 -4.4314 -3.8855 -3.8855 -3.8426 -3.8426 -3.4297 -3.4297 -3.1151 -3.1151 -2.8931 -2.8931 -2.5726 -2.5726 -2.4944 -2.4944 -2.4133 -2.4133 -2.2479 -2.2479 -2.2278 -2.2278 -2.1447 -2.1447 -1.7558 -1.7558 -1.6925 -1.6925 -1.4952 -1.4952 -1.2317 -1.2317 -1.1708 -1.1708 -1.0833 -1.0833 -0.2990 -0.2990 -0.1723 -0.1723 -0.0141 -0.0141 4.1981 4.1981 4.2946 4.2946 5.5179 5.5179 5.8347 5.8347 5.9236 5.9236 6.2344 6.2344 6.3728 6.3728 k = 0.3448 0.1991-0.0000 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4815 -16.4815 -16.3217 -16.3217 -16.2714 -16.2714 -16.0930 -16.0930 -16.0747 -16.0747 -16.0456 -16.0456 -8.2517 -8.2517 -7.8965 -7.8965 -7.8441 -7.8441 -6.7610 -6.7610 -4.8152 -4.8152 -4.6990 -4.6990 -4.4270 -4.4270 -3.8556 -3.8556 -3.8164 -3.8164 -3.4320 -3.4320 -3.1145 -3.1145 -2.8950 -2.8950 -2.5859 -2.5859 -2.5132 -2.5132 -2.4091 -2.4091 -2.2553 -2.2553 -2.2155 -2.2155 -2.1201 -2.1201 -1.7636 -1.7636 -1.7052 -1.7052 -1.4810 -1.4810 -1.2476 -1.2476 -1.1702 -1.1702 -1.0927 -1.0927 -0.3018 -0.3018 -0.1810 -0.1810 -0.0127 -0.0127 4.1993 4.1993 4.3037 4.3037 5.4973 5.4973 5.8327 5.8327 5.9137 5.9137 6.2320 6.2320 6.3654 6.3654 k = 0.3621 0.2090-0.0000 ( 16622 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4733 -16.4733 -16.3301 -16.3301 -16.2732 -16.2732 -16.0933 -16.0933 -16.0743 -16.0743 -16.0440 -16.0440 -8.2333 -8.2333 -7.9059 -7.9059 -7.8456 -7.8456 -6.7840 -6.7840 -4.8198 -4.8198 -4.7009 -4.7009 -4.4234 -4.4234 -3.8273 -3.8273 -3.7913 -3.7913 -3.4343 -3.4343 -3.1128 -3.1128 -2.8984 -2.8984 -2.5972 -2.5972 -2.5313 -2.5313 -2.4052 -2.4052 -2.2625 -2.2625 -2.2046 -2.2046 -2.0969 -2.0969 -1.7704 -1.7704 -1.7171 -1.7171 -1.4672 -1.4672 -1.2625 -1.2625 -1.1703 -1.1703 -1.1016 -1.1016 -0.3045 -0.3045 -0.1894 -0.1894 -0.0115 -0.0115 4.2003 4.2003 4.3120 4.3120 5.4787 5.4787 5.8312 5.8312 5.9049 5.9049 6.2296 6.2296 6.3577 6.3577 k = 0.3793 0.2190-0.0000 ( 16630 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4649 -16.4649 -16.3387 -16.3387 -16.2749 -16.2749 -16.0936 -16.0936 -16.0739 -16.0739 -16.0425 -16.0425 -8.2152 -8.2152 -7.9158 -7.9158 -7.8470 -7.8470 -6.8048 -6.8048 -4.8239 -4.8239 -4.7027 -4.7027 -4.4204 -4.4204 -3.8010 -3.8010 -3.7675 -3.7675 -3.4366 -3.4366 -3.1105 -3.1105 -2.9031 -2.9031 -2.6064 -2.6064 -2.5484 -2.5484 -2.4015 -2.4015 -2.2694 -2.2694 -2.1953 -2.1953 -2.0755 -2.0755 -1.7764 -1.7764 -1.7278 -1.7278 -1.4540 -1.4540 -1.2763 -1.2763 -1.1714 -1.1714 -1.1096 -1.1096 -0.3072 -0.3072 -0.1976 -0.1976 -0.0106 -0.0106 4.2009 4.2009 4.3195 4.3195 5.4620 5.4620 5.8301 5.8301 5.8970 5.8970 6.2273 6.2273 6.3500 6.3500 k = 0.3966 0.2289-0.0000 ( 16628 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4564 -16.4564 -16.3474 -16.3474 -16.2764 -16.2764 -16.0938 -16.0938 -16.0736 -16.0736 -16.0412 -16.0412 -8.1976 -8.1976 -7.9259 -7.9259 -7.8483 -7.8483 -6.8233 -6.8233 -4.8274 -4.8274 -4.7043 -4.7043 -4.4180 -4.4180 -3.7773 -3.7773 -3.7455 -3.7455 -3.4388 -3.4388 -3.1077 -3.1077 -2.9088 -2.9088 -2.6134 -2.6134 -2.5640 -2.5640 -2.3983 -2.3983 -2.2759 -2.2759 -2.1875 -2.1875 -2.0562 -2.0562 -1.7816 -1.7816 -1.7372 -1.7372 -1.4418 -1.4418 -1.2887 -1.2887 -1.1733 -1.1733 -1.1164 -1.1164 -0.3097 -0.3097 -0.2050 -0.2050 -0.0095 -0.0095 4.2014 4.2014 4.3264 4.3264 5.4474 5.4474 5.8292 5.8292 5.8903 5.8903 6.2251 6.2251 6.3427 6.3427 k = 0.4138 0.2389-0.0000 ( 16648 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4476 -16.4476 -16.3563 -16.3563 -16.2776 -16.2776 -16.0940 -16.0940 -16.0733 -16.0733 -16.0401 -16.0401 -8.1808 -8.1808 -7.9361 -7.9361 -7.8494 -7.8494 -6.8393 -6.8393 -4.8305 -4.8305 -4.7057 -4.7057 -4.4161 -4.4161 -3.7566 -3.7566 -3.7257 -3.7257 -3.4408 -3.4408 -3.1048 -3.1048 -2.9152 -2.9152 -2.6186 -2.6186 -2.5779 -2.5779 -2.3955 -2.3955 -2.2817 -2.2817 -2.1813 -2.1813 -2.0394 -2.0394 -1.7860 -1.7860 -1.7450 -1.7450 -1.4306 -1.4306 -1.2996 -1.2996 -1.1760 -1.1760 -1.1220 -1.1220 -0.3121 -0.3121 -0.2118 -0.2118 -0.0089 -0.0089 4.2016 4.2016 4.3319 4.3319 5.4349 5.4349 5.8286 5.8286 5.8845 5.8845 6.2230 6.2230 6.3360 6.3360 k = 0.4310 0.2489-0.0000 ( 16648 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4387 -16.4387 -16.3653 -16.3653 -16.2787 -16.2787 -16.0942 -16.0942 -16.0731 -16.0731 -16.0392 -16.0392 -8.1654 -8.1654 -7.9460 -7.9460 -7.8503 -7.8503 -6.8527 -6.8527 -4.8330 -4.8330 -4.7068 -4.7068 -4.4145 -4.4145 -3.7390 -3.7390 -3.7086 -3.7086 -3.4426 -3.4426 -3.1020 -3.1020 -2.9215 -2.9215 -2.6222 -2.6222 -2.5896 -2.5896 -2.3932 -2.3932 -2.2867 -2.2867 -2.1766 -2.1766 -2.0253 -2.0253 -1.7896 -1.7896 -1.7513 -1.7513 -1.4208 -1.4208 -1.3088 -1.3088 -1.1793 -1.1793 -1.1263 -1.1263 -0.3139 -0.3139 -0.2172 -0.2172 -0.0084 -0.0084 4.2021 4.2021 4.3368 4.3368 5.4248 5.4248 5.8282 5.8282 5.8798 5.8798 6.2212 6.2212 6.3302 6.3302 k = 0.4483 0.2588-0.0000 ( 16644 PWs) bands (ev): -91.3597 -91.3597 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4297 -16.4297 -16.3744 -16.3744 -16.2795 -16.2795 -16.0943 -16.0943 -16.0729 -16.0729 -16.0385 -16.0385 -8.1520 -8.1520 -7.9551 -7.9551 -7.8510 -7.8510 -6.8632 -6.8632 -4.8349 -4.8349 -4.7077 -4.7077 -4.4134 -4.4134 -3.7250 -3.7250 -3.6948 -3.6948 -3.4441 -3.4441 -3.0995 -3.0995 -2.9272 -2.9272 -2.6245 -2.6245 -2.5990 -2.5990 -2.3914 -2.3914 -2.2907 -2.2907 -2.1731 -2.1731 -2.0141 -2.0141 -1.7923 -1.7923 -1.7560 -1.7560 -1.4127 -1.4127 -1.3161 -1.3161 -1.1826 -1.1826 -1.1293 -1.1293 -0.3155 -0.3155 -0.2215 -0.2215 -0.0078 -0.0078 4.2022 4.2022 4.3409 4.3409 5.4170 5.4170 5.8280 5.8280 5.8762 5.8762 6.2198 6.2198 6.3255 6.3255 k = 0.4655 0.2688-0.0000 ( 16648 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4205 -16.4205 -16.3836 -16.3836 -16.2801 -16.2801 -16.0944 -16.0944 -16.0728 -16.0728 -16.0380 -16.0380 -8.1413 -8.1413 -7.9626 -7.9626 -7.8515 -7.8515 -6.8707 -6.8707 -4.8363 -4.8363 -4.7083 -4.7083 -4.4126 -4.4126 -3.7147 -3.7147 -3.6846 -3.6846 -3.4452 -3.4452 -3.0976 -3.0976 -2.9318 -2.9318 -2.6260 -2.6260 -2.6057 -2.6057 -2.3902 -2.3902 -2.2938 -2.2938 -2.1708 -2.1708 -2.0061 -2.0061 -1.7943 -1.7943 -1.7593 -1.7593 -1.4066 -1.4066 -1.3215 -1.3215 -1.1855 -1.1855 -1.1313 -1.1313 -0.3167 -0.3167 -0.2249 -0.2249 -0.0074 -0.0074 4.2023 4.2023 4.3436 4.3436 5.4112 5.4112 5.8279 5.8279 5.8736 5.8736 6.2187 6.2187 6.3220 6.3220 k = 0.4828 0.2787-0.0000 ( 16652 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4114 -16.4114 -16.3928 -16.3928 -16.2805 -16.2805 -16.0945 -16.0945 -16.0727 -16.0727 -16.0377 -16.0377 -8.1343 -8.1343 -7.9676 -7.9676 -7.8518 -7.8518 -6.8753 -6.8753 -4.8371 -4.8371 -4.7087 -4.7087 -4.4121 -4.4121 -3.7085 -3.7085 -3.6783 -3.6783 -3.4459 -3.4459 -3.0964 -3.0964 -2.9347 -2.9347 -2.6269 -2.6269 -2.6097 -2.6097 -2.3894 -2.3894 -2.2956 -2.2956 -2.1695 -2.1695 -2.0012 -2.0012 -1.7954 -1.7954 -1.7612 -1.7612 -1.4028 -1.4028 -1.3248 -1.3248 -1.1875 -1.1875 -1.1324 -1.1324 -0.3174 -0.3174 -0.2268 -0.2268 -0.0073 -0.0073 4.2024 4.2024 4.3451 4.3451 5.4078 5.4078 5.8278 5.8278 5.8721 5.8721 6.2180 6.2180 6.3199 6.3199 k = 0.5000 0.2887-0.0000 ( 16648 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4028 -16.4028 -16.4015 -16.4015 -16.2806 -16.2806 -16.0945 -16.0945 -16.0727 -16.0727 -16.0376 -16.0376 -8.1319 -8.1319 -7.9694 -7.9694 -7.8519 -7.8519 -6.8768 -6.8768 -4.8374 -4.8374 -4.7089 -4.7089 -4.4119 -4.4119 -3.7064 -3.7064 -3.6762 -3.6762 -3.4461 -3.4461 -3.0960 -3.0960 -2.9357 -2.9357 -2.6272 -2.6272 -2.6110 -2.6110 -2.3892 -2.3892 -2.2962 -2.2962 -2.1691 -2.1691 -1.9995 -1.9995 -1.7958 -1.7958 -1.7618 -1.7618 -1.4015 -1.4015 -1.3259 -1.3259 -1.1882 -1.1882 -1.1327 -1.1327 -0.3178 -0.3178 -0.2274 -0.2274 -0.0071 -0.0071 4.2025 4.2025 4.3459 4.3459 5.4067 5.4067 5.8278 5.8278 5.8716 5.8716 6.2178 6.2178 6.3192 6.3192 k = 0.5000 0.2887-0.0000 ( 16648 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4028 -16.4028 -16.4015 -16.4015 -16.2806 -16.2806 -16.0945 -16.0945 -16.0727 -16.0727 -16.0376 -16.0376 -8.1319 -8.1319 -7.9694 -7.9694 -7.8519 -7.8519 -6.8768 -6.8768 -4.8374 -4.8374 -4.7089 -4.7089 -4.4119 -4.4119 -3.7064 -3.7064 -3.6762 -3.6762 -3.4461 -3.4461 -3.0960 -3.0960 -2.9357 -2.9357 -2.6272 -2.6272 -2.6110 -2.6110 -2.3892 -2.3892 -2.2962 -2.2962 -2.1691 -2.1691 -1.9995 -1.9995 -1.7958 -1.7958 -1.7618 -1.7618 -1.4015 -1.4015 -1.3259 -1.3259 -1.1882 -1.1882 -1.1327 -1.1327 -0.3178 -0.3178 -0.2274 -0.2274 -0.0071 -0.0071 4.2025 4.2025 4.3459 4.3459 5.4067 5.4067 5.8278 5.8278 5.8716 5.8716 6.2178 6.2178 6.3192 6.3192 k = 0.4902 0.3057-0.0000 ( 16660 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4026 -16.4026 -16.4013 -16.4013 -16.2809 -16.2809 -16.0949 -16.0949 -16.0722 -16.0722 -16.0376 -16.0376 -8.1315 -8.1315 -7.9693 -7.9693 -7.8522 -7.8522 -6.8775 -6.8775 -4.8373 -4.8373 -4.7102 -4.7102 -4.4091 -4.4091 -3.7073 -3.7073 -3.6774 -3.6774 -3.4448 -3.4448 -3.0964 -3.0964 -2.9366 -2.9366 -2.6267 -2.6267 -2.6107 -2.6107 -2.3889 -2.3889 -2.2961 -2.2961 -2.1690 -2.1690 -1.9986 -1.9986 -1.7961 -1.7961 -1.7620 -1.7620 -1.4016 -1.4016 -1.3256 -1.3256 -1.1890 -1.1890 -1.1332 -1.1332 -0.3177 -0.3177 -0.2272 -0.2272 -0.0077 -0.0077 4.2026 4.2026 4.3455 4.3455 5.4073 5.4073 5.8252 5.8252 5.8686 5.8686 6.2203 6.2203 6.3227 6.3227 k = 0.4804 0.3226-0.0000 ( 16652 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4022 -16.4022 -16.4008 -16.4008 -16.2819 -16.2819 -16.0960 -16.0960 -16.0710 -16.0710 -16.0377 -16.0377 -8.1301 -8.1301 -7.9689 -7.9689 -7.8532 -7.8532 -6.8794 -6.8794 -4.8371 -4.8371 -4.7139 -4.7139 -4.4006 -4.4006 -3.7102 -3.7102 -3.6811 -3.6811 -3.4407 -3.4407 -3.0976 -3.0976 -2.9393 -2.9393 -2.6251 -2.6251 -2.6095 -2.6095 -2.3882 -2.3882 -2.2956 -2.2956 -2.1688 -2.1688 -1.9957 -1.9957 -1.7967 -1.7967 -1.7626 -1.7626 -1.4020 -1.4020 -1.3248 -1.3248 -1.1911 -1.1911 -1.1347 -1.1347 -0.3176 -0.3176 -0.2259 -0.2259 -0.0093 -0.0093 4.2044 4.2044 4.3447 4.3447 5.4093 5.4093 5.8178 5.8178 5.8600 5.8600 6.2274 6.2274 6.3329 6.3329 k = 0.4706 0.3396-0.0000 ( 16654 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4016 -16.4016 -16.4001 -16.4001 -16.2835 -16.2835 -16.0975 -16.0975 -16.0691 -16.0691 -16.0377 -16.0377 -8.1279 -8.1279 -7.9682 -7.9682 -7.8549 -7.8549 -6.8824 -6.8824 -4.8367 -4.8367 -4.7196 -4.7196 -4.3870 -4.3870 -3.7150 -3.7150 -3.6867 -3.6867 -3.4343 -3.4343 -3.0997 -3.0997 -2.9437 -2.9437 -2.6224 -2.6224 -2.6077 -2.6077 -2.3873 -2.3873 -2.2947 -2.2947 -2.1685 -2.1685 -1.9911 -1.9911 -1.7978 -1.7978 -1.7636 -1.7636 -1.4026 -1.4026 -1.3236 -1.3236 -1.1948 -1.1948 -1.1372 -1.1372 -0.3174 -0.3174 -0.2238 -0.2238 -0.0121 -0.0121 4.2068 4.2068 4.3433 4.3433 5.4126 5.4126 5.8062 5.8062 5.8467 5.8467 6.2386 6.2386 6.3490 6.3490 k = 0.4608 0.3566-0.0000 ( 16654 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4007 -16.4007 -16.3990 -16.3990 -16.2858 -16.2858 -16.0994 -16.0994 -16.0670 -16.0670 -16.0379 -16.0379 -8.1248 -8.1248 -7.9673 -7.9673 -7.8572 -7.8572 -6.8866 -6.8866 -4.8361 -4.8361 -4.7269 -4.7269 -4.3691 -4.3691 -3.7221 -3.7221 -3.6936 -3.6936 -3.4259 -3.4259 -3.1024 -3.1024 -2.9498 -2.9498 -2.6186 -2.6186 -2.6051 -2.6051 -2.3865 -2.3865 -2.2932 -2.2932 -2.1681 -2.1681 -1.9849 -1.9849 -1.7992 -1.7992 -1.7651 -1.7651 -1.4031 -1.4031 -1.3221 -1.3221 -1.1997 -1.1997 -1.1405 -1.1405 -0.3174 -0.3174 -0.2210 -0.2210 -0.0155 -0.0155 4.2099 4.2099 4.3416 4.3416 5.4171 5.4171 5.7912 5.7912 5.8297 5.8297 6.2528 6.2528 6.3698 6.3698 k = 0.4510 0.3736-0.0000 ( 16652 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3995 -16.3995 -16.3977 -16.3977 -16.2887 -16.2887 -16.1013 -16.1013 -16.0646 -16.0646 -16.0380 -16.0380 -8.1210 -8.1210 -7.9661 -7.9661 -7.8602 -7.8602 -6.8918 -6.8918 -4.8354 -4.8354 -4.7350 -4.7350 -4.3473 -4.3473 -3.7313 -3.7313 -3.7013 -3.7013 -3.4160 -3.4160 -3.1057 -3.1057 -2.9573 -2.9573 -2.6137 -2.6137 -2.6018 -2.6018 -2.3862 -2.3862 -2.2908 -2.2908 -2.1677 -2.1677 -1.9773 -1.9773 -1.8010 -1.8010 -1.7670 -1.7670 -1.4034 -1.4034 -1.3205 -1.3205 -1.2059 -1.2059 -1.1445 -1.1445 -0.3172 -0.3172 -0.2175 -0.2175 -0.0201 -0.0201 4.2139 4.2139 4.3394 4.3394 5.4229 5.4229 5.7739 5.7739 5.8101 5.8101 6.2691 6.2691 6.3941 6.3941 k = 0.4412 0.3906-0.0000 ( 16646 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3980 -16.3980 -16.3960 -16.3960 -16.2922 -16.2922 -16.1031 -16.1031 -16.0621 -16.0621 -16.0382 -16.0382 -8.1163 -8.1163 -7.9647 -7.9647 -7.8639 -7.8639 -6.8978 -6.8978 -4.8345 -4.8345 -4.7436 -4.7436 -4.3225 -4.3225 -3.7426 -3.7426 -3.7095 -3.7095 -3.4049 -3.4049 -3.1094 -3.1094 -2.9662 -2.9662 -2.6079 -2.6079 -2.5977 -2.5977 -2.3869 -2.3869 -2.2873 -2.2873 -2.1674 -2.1674 -1.9686 -1.9686 -1.8029 -1.8029 -1.7694 -1.7694 -1.4032 -1.4032 -1.3190 -1.3190 -1.2132 -1.2132 -1.1490 -1.1490 -0.3168 -0.3168 -0.2131 -0.2131 -0.0255 -0.0255 4.2186 4.2186 4.3367 4.3367 5.4300 5.4300 5.7552 5.7552 5.7889 5.7889 6.2867 6.2867 6.4208 6.4208 k = 0.4314 0.4075-0.0000 ( 16640 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3963 -16.3963 -16.3941 -16.3941 -16.2964 -16.2964 -16.1050 -16.1050 -16.0597 -16.0597 -16.0384 -16.0384 -8.1110 -8.1110 -7.9630 -7.9630 -7.8683 -7.8683 -6.9044 -6.9044 -4.8335 -4.8335 -4.7522 -4.7522 -4.2952 -4.2952 -3.7555 -3.7555 -3.7182 -3.7182 -3.3932 -3.3932 -3.1134 -3.1134 -2.9763 -2.9763 -2.6013 -2.6013 -2.5929 -2.5929 -2.3889 -2.3889 -2.2824 -2.2824 -2.1673 -2.1673 -1.9592 -1.9592 -1.8050 -1.8050 -1.7723 -1.7723 -1.4024 -1.4024 -1.3177 -1.3177 -1.2215 -1.2215 -1.1540 -1.1540 -0.3168 -0.3168 -0.2081 -0.2081 -0.0317 -0.0317 4.2241 4.2241 4.3336 4.3336 5.4384 5.4384 5.7355 5.7355 5.7669 5.7669 6.3047 6.3047 6.4490 6.4490 k = 0.4216 0.4245-0.0000 ( 16638 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3944 -16.3944 -16.3919 -16.3919 -16.3010 -16.3010 -16.1066 -16.1066 -16.0573 -16.0573 -16.0387 -16.0387 -8.1050 -8.1050 -7.9611 -7.9611 -7.8734 -7.8734 -6.9115 -6.9115 -4.8323 -4.8323 -4.7607 -4.7607 -4.2659 -4.2659 -3.7694 -3.7694 -3.7274 -3.7274 -3.3811 -3.3811 -3.1174 -3.1174 -2.9874 -2.9874 -2.5940 -2.5940 -2.5873 -2.5873 -2.3925 -2.3925 -2.2762 -2.2762 -2.1675 -2.1675 -1.9494 -1.9494 -1.8071 -1.8071 -1.7757 -1.7757 -1.4007 -1.4007 -1.3167 -1.3167 -1.2305 -1.2305 -1.1592 -1.1592 -0.3167 -0.3167 -0.2024 -0.2024 -0.0386 -0.0386 4.2300 4.2300 4.3300 4.3300 5.4479 5.4479 5.7157 5.7157 5.7447 5.7447 6.3226 6.3226 6.4778 6.4778 k = 0.4118 0.4415-0.0000 ( 16654 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3922 -16.3922 -16.3894 -16.3894 -16.3063 -16.3063 -16.1081 -16.1081 -16.0550 -16.0550 -16.0390 -16.0390 -8.0985 -8.0985 -7.9589 -7.9589 -7.8791 -7.8791 -6.9188 -6.9188 -4.8310 -4.8310 -4.7689 -4.7689 -4.2354 -4.2354 -3.7841 -3.7841 -3.7371 -3.7371 -3.3690 -3.3690 -3.1211 -3.1211 -2.9992 -2.9992 -2.5867 -2.5867 -2.5804 -2.5804 -2.3980 -2.3980 -2.2687 -2.2687 -2.1680 -2.1680 -1.9396 -1.9396 -1.8092 -1.8092 -1.7795 -1.7795 -1.3980 -1.3980 -1.3161 -1.3161 -1.2402 -1.2402 -1.1644 -1.1644 -0.3169 -0.3169 -0.1965 -0.1965 -0.0464 -0.0464 4.2361 4.2361 4.3259 4.3259 5.4586 5.4586 5.6960 5.6960 5.7227 5.7227 6.3399 6.3399 6.5065 6.5065 k = 0.4020 0.4585-0.0000 ( 16662 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3898 -16.3898 -16.3867 -16.3867 -16.3120 -16.3120 -16.1095 -16.1095 -16.0529 -16.0529 -16.0393 -16.0393 -8.0916 -8.0916 -7.9565 -7.9565 -7.8854 -7.8854 -6.9262 -6.9262 -4.8295 -4.8295 -4.7766 -4.7766 -4.2041 -4.2041 -3.7989 -3.7989 -3.7474 -3.7474 -3.3573 -3.3573 -3.1242 -3.1242 -3.0116 -3.0116 -2.5797 -2.5797 -2.5720 -2.5720 -2.4053 -2.4053 -2.2601 -2.2601 -2.1691 -2.1691 -1.9300 -1.9300 -1.8110 -1.8110 -1.7838 -1.7838 -1.3942 -1.3942 -1.3161 -1.3161 -1.2502 -1.2502 -1.1695 -1.1695 -0.3173 -0.3173 -0.1904 -0.1904 -0.0542 -0.0542 4.2424 4.2424 4.3217 4.3217 5.4704 5.4704 5.6768 5.6768 5.7014 5.7014 6.3560 6.3560 6.5346 6.5346 k = 0.3922 0.4755-0.0000 ( 16646 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3871 -16.3871 -16.3837 -16.3837 -16.3182 -16.3182 -16.1106 -16.1106 -16.0509 -16.0509 -16.0397 -16.0397 -8.0844 -8.0844 -7.9539 -7.9539 -7.8923 -7.8923 -6.9332 -6.9332 -4.8277 -4.8277 -4.7837 -4.7837 -4.1726 -4.1726 -3.8134 -3.8134 -3.7583 -3.7583 -3.3463 -3.3463 -3.1263 -3.1263 -3.0243 -3.0243 -2.5730 -2.5730 -2.5623 -2.5623 -2.4144 -2.4144 -2.2508 -2.2508 -2.1707 -2.1707 -1.9209 -1.9209 -1.8126 -1.8126 -1.7883 -1.7883 -1.3892 -1.3892 -1.3166 -1.3166 -1.2605 -1.2605 -1.1742 -1.1742 -0.3174 -0.3174 -0.1837 -0.1837 -0.0620 -0.0620 4.2495 4.2495 4.3174 4.3174 5.4834 5.4834 5.6586 5.6586 5.6813 5.6813 6.3707 6.3707 6.5615 6.5615 k = 0.3824 0.4924-0.0000 ( 16634 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3843 -16.3843 -16.3805 -16.3805 -16.3248 -16.3248 -16.1116 -16.1116 -16.0491 -16.0491 -16.0401 -16.0401 -8.0772 -8.0772 -7.9510 -7.9510 -7.8997 -7.8997 -6.9398 -6.9398 -4.8258 -4.8258 -4.7901 -4.7901 -4.1419 -4.1419 -3.8268 -3.8268 -3.7696 -3.7696 -3.3365 -3.3365 -3.1269 -3.1269 -3.0372 -3.0372 -2.5665 -2.5665 -2.5517 -2.5517 -2.4252 -2.4252 -2.2411 -2.2411 -2.1731 -2.1731 -1.9127 -1.9127 -1.8138 -1.8138 -1.7930 -1.7930 -1.3829 -1.3829 -1.3178 -1.3178 -1.2709 -1.2709 -1.1785 -1.1785 -0.3177 -0.3177 -0.1769 -0.1769 -0.0698 -0.0698 4.2567 4.2567 4.3129 4.3129 5.4974 5.4974 5.6414 5.6414 5.6624 5.6624 6.3835 6.3835 6.5865 6.5865 k = 0.3725 0.5094-0.0000 ( 16636 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3812 -16.3812 -16.3771 -16.3771 -16.3317 -16.3317 -16.1124 -16.1124 -16.0474 -16.0474 -16.0406 -16.0406 -8.0702 -8.0702 -7.9479 -7.9479 -7.9074 -7.9074 -6.9457 -6.9457 -4.8238 -4.8238 -4.7960 -4.7960 -4.1133 -4.1133 -3.8384 -3.8384 -3.7814 -3.7814 -3.3282 -3.3282 -3.1258 -3.1258 -3.0502 -3.0502 -2.5601 -2.5601 -2.5406 -2.5406 -2.4375 -2.4375 -2.2312 -2.2312 -2.1761 -2.1761 -1.9055 -1.9055 -1.8146 -1.8146 -1.7977 -1.7977 -1.3753 -1.3753 -1.3196 -1.3196 -1.2811 -1.2811 -1.1821 -1.1821 -0.3180 -0.3180 -0.1709 -0.1709 -0.0770 -0.0770 4.2631 4.2631 4.3082 4.3082 5.5122 5.5122 5.6254 5.6254 5.6450 5.6450 6.3944 6.3944 6.6091 6.6091 k = 0.3627 0.5264-0.0000 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3779 -16.3779 -16.3735 -16.3735 -16.3390 -16.3390 -16.1130 -16.1130 -16.0460 -16.0460 -16.0411 -16.0411 -8.0637 -8.0637 -7.9447 -7.9447 -7.9151 -7.9151 -6.9506 -6.9506 -4.8215 -4.8215 -4.8011 -4.8011 -4.0881 -4.0881 -3.8466 -3.8466 -3.7936 -3.7936 -3.3218 -3.3218 -3.1224 -3.1224 -3.0629 -3.0629 -2.5541 -2.5541 -2.5291 -2.5291 -2.4510 -2.4510 -2.2216 -2.2216 -2.1800 -2.1800 -1.8996 -1.8996 -1.8151 -1.8151 -1.8022 -1.8022 -1.3667 -1.3667 -1.3218 -1.3218 -1.2911 -1.2911 -1.1851 -1.1851 -0.3183 -0.3183 -0.1652 -0.1652 -0.0837 -0.0837 4.2696 4.2696 4.3034 4.3034 5.5280 5.5280 5.6108 5.6108 5.6294 5.6294 6.4029 6.4029 6.6289 6.6289 k = 0.3529 0.5434-0.0000 ( 16628 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3743 -16.3743 -16.3699 -16.3699 -16.3464 -16.3464 -16.1134 -16.1134 -16.0448 -16.0448 -16.0416 -16.0416 -8.0583 -8.0583 -7.9412 -7.9412 -7.9224 -7.9224 -6.9544 -6.9544 -4.8191 -4.8191 -4.8056 -4.8056 -4.0685 -4.0685 -3.8502 -3.8502 -3.8059 -3.8059 -3.3172 -3.3172 -3.1168 -3.1168 -3.0753 -3.0753 -2.5487 -2.5487 -2.5173 -2.5173 -2.4654 -2.4654 -2.2126 -2.2126 -2.1848 -2.1848 -1.8949 -1.8949 -1.8151 -1.8151 -1.8062 -1.8062 -1.3575 -1.3575 -1.3241 -1.3241 -1.3006 -1.3006 -1.1872 -1.1872 -0.3185 -0.3185 -0.1608 -0.1608 -0.0889 -0.0889 4.2755 4.2755 4.2989 4.2989 5.5442 5.5442 5.5977 5.5977 5.6158 5.6158 6.4090 6.4090 6.6452 6.6452 k = 0.3431 0.5604-0.0000 ( 16639 PWs) bands (ev): -91.3596 -91.3596 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3706 -16.3706 -16.3666 -16.3666 -16.3536 -16.3536 -16.1136 -16.1136 -16.0437 -16.0437 -16.0423 -16.0423 -8.0544 -8.0544 -7.9376 -7.9376 -7.9289 -7.9289 -6.9568 -6.9568 -4.8167 -4.8167 -4.8094 -4.8094 -4.0563 -4.0563 -3.8480 -3.8480 -3.8179 -3.8179 -3.3147 -3.3147 -3.1089 -3.1089 -3.0872 -3.0872 -2.5445 -2.5445 -2.5055 -2.5055 -2.4799 -2.4799 -2.2044 -2.2044 -2.1902 -2.1902 -1.8919 -1.8919 -1.8147 -1.8147 -1.8094 -1.8094 -1.3493 -1.3493 -1.3254 -1.3254 -1.3092 -1.3092 -1.1884 -1.1884 -0.3187 -0.3187 -0.1580 -0.1580 -0.0924 -0.0924 4.2800 4.2800 4.2946 4.2946 5.5602 5.5602 5.5863 5.5863 5.6047 5.6047 6.4127 6.4127 6.6576 6.6576 k = 0.3333 0.5774-0.0000 ( 16641 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3668 -16.3668 -16.3666 -16.3666 -16.3575 -16.3575 -16.1137 -16.1137 -16.0430 -16.0430 -16.0429 -16.0429 -8.0530 -8.0530 -7.9343 -7.9343 -7.9332 -7.9332 -6.9576 -6.9576 -4.8152 -4.8152 -4.8113 -4.8113 -4.0524 -4.0524 -3.8437 -3.8437 -3.8252 -3.8252 -3.3139 -3.3139 -3.1002 -3.1002 -3.0972 -3.0972 -2.5426 -2.5426 -2.4955 -2.4955 -2.4912 -2.4912 -2.1987 -2.1987 -2.1950 -2.1950 -1.8908 -1.8908 -1.8142 -1.8142 -1.8108 -1.8108 -1.3459 -1.3459 -1.3242 -1.3242 -1.3143 -1.3143 -1.1889 -1.1889 -0.3186 -0.3186 -0.1571 -0.1571 -0.0937 -0.0937 4.2823 4.2823 4.2925 4.2925 5.5701 5.5701 5.5800 5.5800 5.5990 5.5990 6.4138 6.4138 6.6648 6.6648 k = 0.3333 0.5774-0.0000 ( 16641 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3668 -16.3668 -16.3666 -16.3666 -16.3575 -16.3575 -16.1137 -16.1137 -16.0430 -16.0430 -16.0429 -16.0429 -8.0530 -8.0530 -7.9343 -7.9343 -7.9332 -7.9332 -6.9576 -6.9576 -4.8152 -4.8152 -4.8113 -4.8113 -4.0524 -4.0524 -3.8437 -3.8437 -3.8252 -3.8252 -3.3139 -3.3139 -3.1002 -3.1002 -3.0972 -3.0972 -2.5426 -2.5426 -2.4955 -2.4955 -2.4912 -2.4912 -2.1987 -2.1987 -2.1950 -2.1950 -1.8908 -1.8908 -1.8142 -1.8142 -1.8108 -1.8108 -1.3459 -1.3459 -1.3242 -1.3242 -1.3143 -1.3143 -1.1889 -1.1889 -0.3186 -0.3186 -0.1571 -0.1571 -0.0937 -0.0937 4.2823 4.2823 4.2925 4.2925 5.5701 5.5701 5.5800 5.5800 5.5990 5.5990 6.4138 6.4138 6.6648 6.6650 k = 0.3232 0.5599-0.0000 ( 16633 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3734 -16.3734 -16.3626 -16.3626 -16.3549 -16.3549 -16.1136 -16.1136 -16.0437 -16.0437 -16.0423 -16.0423 -8.0547 -8.0547 -7.9366 -7.9366 -7.9297 -7.9297 -6.9567 -6.9567 -4.8166 -4.8166 -4.8094 -4.8094 -4.0560 -4.0560 -3.8511 -3.8511 -3.8152 -3.8152 -3.3146 -3.3146 -3.1098 -3.1098 -3.0863 -3.0863 -2.5456 -2.5456 -2.5032 -2.5032 -2.4810 -2.4810 -2.2043 -2.2043 -2.1903 -2.1903 -1.8921 -1.8921 -1.8146 -1.8146 -1.8092 -1.8092 -1.3485 -1.3485 -1.3282 -1.3282 -1.3071 -1.3071 -1.1884 -1.1884 -0.3186 -0.3186 -0.1579 -0.1579 -0.0924 -0.0924 4.2801 4.2801 4.2946 4.2946 5.5644 5.5644 5.5790 5.5790 5.6081 5.6081 6.4127 6.4127 6.6606 6.6606 k = 0.3131 0.5424-0.0000 ( 16639 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3818 -16.3818 -16.3582 -16.3582 -16.3507 -16.3507 -16.1134 -16.1134 -16.0445 -16.0445 -16.0419 -16.0419 -8.0601 -8.0601 -7.9366 -7.9366 -7.9254 -7.9254 -6.9538 -6.9538 -4.8185 -4.8185 -4.8063 -4.8063 -4.0655 -4.0655 -3.8642 -3.8642 -3.7964 -3.7964 -3.3166 -3.3166 -3.1199 -3.1199 -3.0727 -3.0727 -2.5552 -2.5552 -2.5066 -2.5066 -2.4692 -2.4692 -2.2120 -2.2120 -2.1856 -2.1856 -1.8961 -1.8961 -1.8147 -1.8147 -1.8053 -1.8053 -1.3541 -1.3541 -1.3343 -1.3343 -1.2936 -1.2936 -1.1872 -1.1872 -0.3185 -0.3185 -0.1603 -0.1603 -0.0893 -0.0893 4.2758 4.2758 4.2979 4.2979 5.5574 5.5574 5.5744 5.5744 5.6263 5.6263 6.4095 6.4095 6.6572 6.6572 k = 0.3030 0.5249-0.0000 ( 16641 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3906 -16.3906 -16.3537 -16.3537 -16.3460 -16.3460 -16.1130 -16.1130 -16.0454 -16.0454 -16.0418 -16.0418 -8.0690 -8.0690 -7.9341 -7.9341 -7.9211 -7.9211 -6.9488 -6.9488 -4.8198 -4.8198 -4.8027 -4.8027 -4.0789 -4.0789 -3.8783 -3.8783 -3.7756 -3.7756 -3.3194 -3.3194 -3.1290 -3.1290 -3.0579 -3.0579 -2.5688 -2.5688 -2.5058 -2.5058 -2.4578 -2.4578 -2.2201 -2.2201 -2.1823 -2.1823 -1.9031 -1.9031 -1.8137 -1.8137 -1.7997 -1.7997 -1.3613 -1.3613 -1.3395 -1.3395 -1.2783 -1.2783 -1.1853 -1.1853 -0.3182 -0.3182 -0.1634 -0.1634 -0.0849 -0.0849 4.2711 4.2711 4.3011 4.3011 5.5519 5.5519 5.5705 5.5705 5.6468 5.6468 6.4047 6.4047 6.6554 6.6554 k = 0.2929 0.5074-0.0000 ( 16621 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3995 -16.3995 -16.3490 -16.3490 -16.3411 -16.3411 -16.1125 -16.1125 -16.0463 -16.0463 -16.0418 -16.0418 -8.0809 -8.0809 -7.9296 -7.9296 -7.9166 -7.9166 -6.9416 -6.9416 -4.8206 -4.8206 -4.7987 -4.7987 -4.0948 -4.0948 -3.8929 -3.8929 -3.7554 -3.7554 -3.3229 -3.3229 -3.1372 -3.1372 -3.0424 -3.0424 -2.5834 -2.5834 -2.5034 -2.5034 -2.4469 -2.4469 -2.2283 -2.2283 -2.1805 -2.1805 -1.9128 -1.9128 -1.8116 -1.8116 -1.7926 -1.7926 -1.3695 -1.3695 -1.3433 -1.3433 -1.2620 -1.2620 -1.1828 -1.1828 -0.3173 -0.3173 -0.1662 -0.1662 -0.0796 -0.0796 4.2666 4.2666 4.3037 4.3037 5.5484 5.5484 5.5683 5.5683 5.6682 5.6682 6.3989 6.3989 6.6545 6.6545 k = 0.2828 0.4899-0.0000 ( 16621 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4086 -16.4086 -16.3442 -16.3442 -16.3360 -16.3360 -16.1119 -16.1119 -16.0473 -16.0473 -16.0421 -16.0421 -8.0951 -8.0951 -7.9238 -7.9238 -7.9119 -7.9119 -6.9322 -6.9322 -4.8209 -4.8209 -4.7946 -4.7946 -4.1125 -4.1125 -3.9076 -3.9076 -3.7375 -3.7375 -3.3270 -3.3270 -3.1443 -3.1443 -3.0265 -3.0265 -2.5971 -2.5971 -2.5004 -2.5004 -2.4369 -2.4369 -2.2363 -2.2363 -2.1800 -2.1800 -1.9254 -1.9254 -1.8085 -1.8085 -1.7842 -1.7842 -1.3786 -1.3786 -1.3453 -1.3453 -1.2453 -1.2453 -1.1798 -1.1798 -0.3163 -0.3163 -0.1689 -0.1689 -0.0741 -0.0741 4.2618 4.2618 4.3052 4.3052 5.5468 5.5468 5.5677 5.5677 5.6902 5.6902 6.3923 6.3923 6.6461 6.6461 k = 0.2727 0.4724-0.0000 ( 16621 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4177 -16.4177 -16.3393 -16.3393 -16.3309 -16.3309 -16.1112 -16.1112 -16.0484 -16.0484 -16.0425 -16.0425 -8.1111 -8.1111 -7.9170 -7.9170 -7.9072 -7.9072 -6.9205 -6.9205 -4.8206 -4.8206 -4.7902 -4.7902 -4.1313 -4.1313 -3.9226 -3.9226 -3.7229 -3.7229 -3.3318 -3.3318 -3.1503 -3.1503 -3.0103 -3.0103 -2.6090 -2.6090 -2.4971 -2.4971 -2.4280 -2.4280 -2.2438 -2.2438 -2.1808 -2.1808 -1.9405 -1.9405 -1.8047 -1.8047 -1.7747 -1.7747 -1.3886 -1.3886 -1.3455 -1.3455 -1.2283 -1.2283 -1.1765 -1.1765 -0.3150 -0.3150 -0.1710 -0.1710 -0.0685 -0.0685 4.2568 4.2568 4.3060 4.3060 5.5471 5.5471 5.5690 5.5690 5.7127 5.7127 6.3854 6.3854 6.6325 6.6325 k = 0.2626 0.4549-0.0000 ( 16627 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4268 -16.4268 -16.3342 -16.3342 -16.3257 -16.3257 -16.1103 -16.1103 -16.0496 -16.0496 -16.0432 -16.0432 -8.1284 -8.1284 -7.9099 -7.9099 -7.9025 -7.9025 -6.9066 -6.9066 -4.8196 -4.8196 -4.7856 -4.7856 -4.1509 -4.1509 -3.9377 -3.9377 -3.7124 -3.7124 -3.3373 -3.3373 -3.1551 -3.1551 -2.9941 -2.9941 -2.6182 -2.6182 -2.4936 -2.4936 -2.4206 -2.4206 -2.2504 -2.2504 -2.1829 -2.1829 -1.9580 -1.9580 -1.8002 -1.8002 -1.7643 -1.7643 -1.3994 -1.3994 -1.3435 -1.3435 -1.2114 -1.2114 -1.1730 -1.1730 -0.3136 -0.3136 -0.1724 -0.1724 -0.0630 -0.0630 4.2517 4.2517 4.3059 4.3059 5.5494 5.5494 5.5719 5.5719 5.7354 5.7354 6.3784 6.3784 6.6168 6.6168 k = 0.2525 0.4374-0.0000 ( 16623 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4359 -16.4359 -16.3291 -16.3291 -16.3204 -16.3204 -16.1094 -16.1094 -16.0508 -16.0508 -16.0440 -16.0440 -8.1466 -8.1466 -7.9026 -7.9026 -7.8976 -7.8976 -6.8905 -6.8905 -4.8182 -4.8182 -4.7808 -4.7808 -4.1710 -4.1710 -3.9528 -3.9528 -3.7065 -3.7065 -3.3436 -3.3436 -3.1587 -3.1587 -2.9780 -2.9780 -2.6244 -2.6244 -2.4895 -2.4895 -2.4147 -2.4147 -2.2556 -2.2556 -2.1861 -2.1861 -1.9777 -1.9777 -1.7953 -1.7953 -1.7532 -1.7532 -1.4108 -1.4108 -1.3392 -1.3392 -1.1947 -1.1947 -1.1693 -1.1693 -0.3119 -0.3119 -0.1726 -0.1726 -0.0576 -0.0576 4.2468 4.2468 4.3050 4.3050 5.5537 5.5537 5.5765 5.5765 5.7582 5.7582 6.3715 6.3715 6.5997 6.5997 k = 0.2424 0.4199-0.0000 ( 16623 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4448 -16.4448 -16.3239 -16.3239 -16.3151 -16.3151 -16.1084 -16.1084 -16.0521 -16.0521 -16.0450 -16.0450 -8.1655 -8.1655 -7.8953 -7.8953 -7.8927 -7.8927 -6.8722 -6.8722 -4.8162 -4.8162 -4.7756 -4.7756 -4.1916 -4.1916 -3.9679 -3.9679 -3.7056 -3.7056 -3.3507 -3.3507 -3.1610 -3.1610 -2.9622 -2.9622 -2.6272 -2.6272 -2.4847 -2.4847 -2.4108 -2.4108 -2.2592 -2.2592 -2.1904 -2.1904 -1.9995 -1.9995 -1.7901 -1.7901 -1.7415 -1.7415 -1.4230 -1.4230 -1.3328 -1.3328 -1.1788 -1.1788 -1.1651 -1.1651 -0.3099 -0.3099 -0.1718 -0.1718 -0.0527 -0.0527 4.2422 4.2422 4.3029 4.3029 5.5602 5.5602 5.5828 5.5828 5.7810 5.7810 6.3650 6.3650 6.5816 6.5816 k = 0.2323 0.4024-0.0000 ( 16629 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4537 -16.4537 -16.3186 -16.3186 -16.3098 -16.3098 -16.1073 -16.1073 -16.0535 -16.0535 -16.0462 -16.0462 -8.1849 -8.1849 -7.8885 -7.8885 -7.8875 -7.8875 -6.8518 -6.8518 -4.8137 -4.8137 -4.7703 -4.7703 -4.2125 -4.2125 -3.9831 -3.9831 -3.7098 -3.7098 -3.3585 -3.3585 -3.1620 -3.1620 -2.9471 -2.9471 -2.6267 -2.6267 -2.4790 -2.4790 -2.4091 -2.4091 -2.2610 -2.2610 -2.1957 -2.1957 -2.0231 -2.0231 -1.7846 -1.7846 -1.7293 -1.7293 -1.4357 -1.4357 -1.3241 -1.3241 -1.1667 -1.1667 -1.1577 -1.1577 -0.3079 -0.3079 -0.1702 -0.1702 -0.0482 -0.0482 4.2372 4.2372 4.2999 4.2999 5.5686 5.5686 5.5906 5.5906 5.8037 5.8037 6.3587 6.3587 6.5627 6.5627 k = 0.2222 0.3849-0.0000 ( 16641 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4624 -16.4624 -16.3133 -16.3133 -16.3045 -16.3045 -16.1062 -16.1062 -16.0549 -16.0549 -16.0475 -16.0475 -8.2045 -8.2045 -7.8832 -7.8832 -7.8812 -7.8812 -6.8295 -6.8295 -4.8107 -4.8107 -4.7648 -4.7648 -4.2337 -4.2337 -3.9982 -3.9982 -3.7192 -3.7192 -3.3666 -3.3666 -3.1618 -3.1618 -2.9329 -2.9329 -2.6227 -2.6227 -2.4722 -2.4722 -2.4094 -2.4094 -2.2607 -2.2607 -2.2020 -2.2020 -2.0484 -2.0484 -1.7789 -1.7789 -1.7169 -1.7169 -1.4490 -1.4490 -1.3133 -1.3133 -1.1617 -1.1617 -1.1440 -1.1440 -0.3056 -0.3056 -0.1677 -0.1677 -0.0441 -0.0441 4.2323 4.2323 4.2960 4.2960 5.5789 5.5789 5.6000 5.6000 5.8261 5.8261 6.3527 6.3527 6.5434 6.5434 k = 0.2121 0.3674-0.0000 ( 16641 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4709 -16.4709 -16.3080 -16.3080 -16.2992 -16.2992 -16.1050 -16.1050 -16.0564 -16.0564 -16.0489 -16.0489 -8.2242 -8.2242 -7.8783 -7.8783 -7.8747 -7.8747 -6.8054 -6.8054 -4.8071 -4.8071 -4.7590 -4.7590 -4.2551 -4.2551 -4.0132 -4.0132 -3.7335 -3.7335 -3.3747 -3.3747 -3.1603 -3.1603 -2.9204 -2.9204 -2.6153 -2.6153 -2.4640 -2.4640 -2.4116 -2.4116 -2.2587 -2.2587 -2.2093 -2.2093 -2.0751 -2.0751 -1.7727 -1.7727 -1.7043 -1.7043 -1.4628 -1.4628 -1.3008 -1.3008 -1.1586 -1.1586 -1.1291 -1.1291 -0.3031 -0.3031 -0.1641 -0.1641 -0.0403 -0.0403 4.2276 4.2276 4.2914 4.2914 5.5912 5.5912 5.6108 5.6108 5.8483 5.8483 6.3471 6.3471 6.5238 6.5238 k = 0.2020 0.3499-0.0000 ( 16633 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4792 -16.4792 -16.3026 -16.3026 -16.2940 -16.2940 -16.1038 -16.1038 -16.0580 -16.0580 -16.0504 -16.0504 -8.2438 -8.2438 -7.8734 -7.8734 -7.8686 -7.8686 -6.7796 -6.7796 -4.8031 -4.8031 -4.7529 -4.7529 -4.2767 -4.2767 -4.0282 -4.0282 -3.7526 -3.7526 -3.3825 -3.3825 -3.1574 -3.1574 -2.9098 -2.9098 -2.6048 -2.6048 -2.4545 -2.4545 -2.4154 -2.4154 -2.2553 -2.2553 -2.2174 -2.2174 -2.1030 -2.1030 -1.7660 -1.7660 -1.6916 -1.6916 -1.4770 -1.4770 -1.2866 -1.2866 -1.1561 -1.1561 -1.1145 -1.1145 -0.3005 -0.3005 -0.1595 -0.1595 -0.0370 -0.0370 4.2232 4.2232 4.2860 4.2860 5.6053 5.6053 5.6233 5.6233 5.8701 5.8701 6.3416 6.3416 6.5043 6.5043 k = 0.1919 0.3324-0.0000 ( 16629 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4873 -16.4873 -16.2973 -16.2973 -16.2888 -16.2888 -16.1025 -16.1025 -16.0597 -16.0597 -16.0521 -16.0521 -8.2631 -8.2631 -7.8687 -7.8687 -7.8628 -7.8628 -6.7523 -6.7523 -4.7986 -4.7986 -4.7467 -4.7467 -4.2986 -4.2986 -4.0430 -4.0430 -3.7758 -3.7758 -3.3897 -3.3897 -3.1533 -3.1533 -2.9015 -2.9015 -2.5912 -2.5912 -2.4439 -2.4439 -2.4202 -2.4202 -2.2509 -2.2509 -2.2262 -2.2262 -2.1319 -2.1319 -1.7586 -1.7586 -1.6789 -1.6789 -1.4916 -1.4916 -1.2713 -1.2713 -1.1540 -1.1540 -1.1005 -1.1005 -0.2978 -0.2978 -0.1544 -0.1544 -0.0340 -0.0340 4.2187 4.2187 4.2800 4.2800 5.6211 5.6211 5.6372 5.6372 5.8913 5.8913 6.3362 6.3362 6.4850 6.4850 k = 0.1818 0.3149-0.0000 ( 16635 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4951 -16.4951 -16.2920 -16.2920 -16.2838 -16.2838 -16.1012 -16.1012 -16.0614 -16.0614 -16.0538 -16.0538 -8.2822 -8.2822 -7.8640 -7.8640 -7.8574 -7.8574 -6.7237 -6.7237 -4.7937 -4.7937 -4.7404 -4.7404 -4.3207 -4.3207 -4.0576 -4.0576 -3.8026 -3.8026 -3.3960 -3.3960 -3.1478 -3.1478 -2.8959 -2.8959 -2.5751 -2.5751 -2.4328 -2.4328 -2.4254 -2.4254 -2.2462 -2.2462 -2.2356 -2.2356 -2.1612 -2.1612 -1.7505 -1.7505 -1.6663 -1.6663 -1.5064 -1.5064 -1.2555 -1.2555 -1.1519 -1.1519 -1.0870 -1.0870 -0.2952 -0.2952 -0.1488 -0.1488 -0.0315 -0.0315 4.2143 4.2143 4.2732 4.2732 5.6382 5.6382 5.6527 5.6527 5.9119 5.9119 6.3308 6.3308 6.4660 6.4660 k = 0.1717 0.2974-0.0000 ( 16635 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5027 -16.5027 -16.2867 -16.2867 -16.2789 -16.2789 -16.0999 -16.0999 -16.0631 -16.0631 -16.0556 -16.0556 -8.3008 -8.3008 -7.8594 -7.8594 -7.8524 -7.8524 -6.6939 -6.6939 -4.7884 -4.7884 -4.7338 -4.7338 -4.3430 -4.3430 -4.0721 -4.0721 -3.8324 -3.8324 -3.4013 -3.4013 -3.1411 -3.1411 -2.8926 -2.8926 -2.5568 -2.5568 -2.4327 -2.4327 -2.4197 -2.4197 -2.2451 -2.2451 -2.2427 -2.2427 -2.1895 -2.1895 -1.7414 -1.7414 -1.6540 -1.6540 -1.5213 -1.5213 -1.2398 -1.2398 -1.1494 -1.1494 -1.0742 -1.0742 -0.2927 -0.2927 -0.1426 -0.1426 -0.0294 -0.0294 4.2099 4.2099 4.2660 4.2660 5.6563 5.6563 5.6700 5.6700 5.9320 5.9320 6.3254 6.3254 6.4475 6.4475 k = 0.1616 0.2799-0.0000 ( 16659 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.5099 -16.5099 -16.2815 -16.2815 -16.2740 -16.2740 -16.0987 -16.0987 -16.0649 -16.0649 -16.0574 -16.0574 -8.3188 -8.3188 -7.8550 -7.8550 -7.8478 -7.8478 -6.6633 -6.6633 -4.7828 -4.7828 -4.7272 -4.7272 -4.3656 -4.3656 -4.0864 -4.0864 -3.8644 -3.8644 -3.4056 -3.4056 -3.1333 -3.1333 -2.8917 -2.8917 -2.5371 -2.5371 -2.4388 -2.4388 -2.4082 -2.4082 -2.2541 -2.2541 -2.2465 -2.2465 -2.2109 -2.2109 -1.7314 -1.7314 -1.6419 -1.6419 -1.5363 -1.5363 -1.2254 -1.2254 -1.1458 -1.1458 -1.0621 -1.0621 -0.2904 -0.2904 -0.1364 -0.1364 -0.0279 -0.0279 4.2054 4.2054 4.2578 4.2578 5.6747 5.6747 5.6893 5.6893 5.9513 5.9513 6.3200 6.3200 6.4296 6.4296 k = 0.1515 0.2624-0.0000 ( 16645 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5168 -16.5168 -16.2764 -16.2764 -16.2694 -16.2694 -16.0974 -16.0974 -16.0668 -16.0668 -16.0593 -16.0593 -8.3361 -8.3361 -7.8507 -7.8507 -7.8435 -7.8435 -6.6320 -6.6320 -4.7768 -4.7768 -4.7204 -4.7204 -4.3883 -4.3883 -4.1003 -4.1003 -3.8977 -3.8977 -3.4090 -3.4090 -3.1241 -3.1241 -2.8924 -2.8924 -2.5165 -2.5165 -2.4451 -2.4451 -2.3979 -2.3979 -2.2684 -2.2684 -2.2607 -2.2607 -2.2153 -2.2153 -1.7204 -1.7204 -1.6302 -1.6302 -1.5511 -1.5511 -1.2138 -1.2138 -1.1398 -1.1398 -1.0506 -1.0506 -0.2879 -0.2879 -0.1296 -0.1296 -0.0262 -0.0262 4.2015 4.2015 4.2500 4.2500 5.6933 5.6933 5.7110 5.7110 5.9701 5.9701 6.3144 6.3144 6.4125 6.4125 k = 0.1414 0.2449-0.0000 ( 16647 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5234 -16.5234 -16.2715 -16.2715 -16.2649 -16.2649 -16.0961 -16.0961 -16.0686 -16.0686 -16.0612 -16.0612 -8.3528 -8.3528 -7.8465 -7.8465 -7.8396 -7.8396 -6.6002 -6.6002 -4.7705 -4.7705 -4.7135 -4.7135 -4.4113 -4.4113 -4.1139 -4.1139 -3.9319 -3.9319 -3.4116 -3.4116 -3.1138 -3.1138 -2.8947 -2.8947 -2.4957 -2.4957 -2.4513 -2.4513 -2.3901 -2.3901 -2.2974 -2.2974 -2.2658 -2.2658 -2.2116 -2.2116 -1.7084 -1.7084 -1.6189 -1.6189 -1.5658 -1.5658 -1.2064 -1.2064 -1.1303 -1.1303 -1.0399 -1.0399 -0.2861 -0.2861 -0.1229 -0.1229 -0.0250 -0.0250 4.1976 4.1976 4.2420 4.2420 5.7117 5.7117 5.7345 5.7345 5.9882 5.9882 6.3088 6.3088 6.3962 6.3962 k = 0.1313 0.2274-0.0000 ( 16639 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5296 -16.5296 -16.2666 -16.2666 -16.2606 -16.2606 -16.0949 -16.0949 -16.0705 -16.0705 -16.0631 -16.0631 -8.3686 -8.3686 -7.8426 -7.8426 -7.8361 -7.8361 -6.5684 -6.5684 -4.7640 -4.7640 -4.7067 -4.7067 -4.4345 -4.4345 -4.1270 -4.1270 -3.9660 -3.9660 -3.4134 -3.4134 -3.1023 -3.1023 -2.8979 -2.8979 -2.4755 -2.4755 -2.4573 -2.4573 -2.3861 -2.3861 -2.3286 -2.3286 -2.2666 -2.2666 -2.2062 -2.2062 -1.6955 -1.6955 -1.6082 -1.6082 -1.5802 -1.5802 -1.2035 -1.2035 -1.1173 -1.1173 -1.0298 -1.0298 -0.2841 -0.2841 -0.1163 -0.1163 -0.0238 -0.0238 4.1939 4.1939 4.2338 4.2338 5.7301 5.7301 5.7598 5.7598 6.0058 6.0058 6.3032 6.3032 6.3809 6.3809 k = 0.1212 0.2099-0.0000 ( 16621 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5354 -16.5354 -16.2619 -16.2619 -16.2565 -16.2565 -16.0937 -16.0937 -16.0724 -16.0724 -16.0650 -16.0650 -8.3835 -8.3835 -7.8389 -7.8389 -7.8329 -7.8329 -6.5367 -6.5367 -4.7572 -4.7572 -4.6998 -4.6998 -4.4577 -4.4577 -4.1397 -4.1397 -3.9996 -3.9996 -3.4146 -3.4146 -3.0897 -3.0897 -2.9018 -2.9018 -2.4639 -2.4639 -2.4558 -2.4558 -2.3864 -2.3864 -2.3601 -2.3601 -2.2628 -2.2628 -2.2004 -2.2004 -1.6816 -1.6816 -1.5989 -1.5989 -1.5932 -1.5932 -1.2043 -1.2043 -1.1019 -1.1019 -1.0205 -1.0205 -0.2825 -0.2825 -0.1097 -0.1097 -0.0226 -0.0226 4.1905 4.1905 4.2262 4.2262 5.7482 5.7482 5.7865 5.7865 6.0229 6.0229 6.2978 6.2978 6.3667 6.3667 k = 0.1111 0.1925-0.0000 ( 16625 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5408 -16.5408 -16.2575 -16.2575 -16.2526 -16.2526 -16.0926 -16.0926 -16.0743 -16.0743 -16.0668 -16.0668 -8.3974 -8.3974 -7.8353 -7.8353 -7.8300 -7.8300 -6.5054 -6.5054 -4.7505 -4.7505 -4.6931 -4.6931 -4.4809 -4.4809 -4.1520 -4.1520 -4.0322 -4.0322 -3.4154 -3.4154 -3.0762 -3.0762 -2.9060 -2.9060 -2.4699 -2.4699 -2.4394 -2.4394 -2.3914 -2.3914 -2.3889 -2.3889 -2.2550 -2.2550 -2.1946 -2.1946 -1.6669 -1.6669 -1.6080 -1.6080 -1.5879 -1.5879 -1.2077 -1.2077 -1.0852 -1.0852 -1.0119 -1.0119 -0.2814 -0.2814 -0.1038 -0.1038 -0.0217 -0.0217 4.1870 4.1870 4.2182 4.2182 5.7659 5.7659 5.8142 5.8142 6.0396 6.0396 6.2928 6.2928 6.3538 6.3538 k = 0.1010 0.1750-0.0000 ( 16619 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5457 -16.5457 -16.2532 -16.2532 -16.2490 -16.2490 -16.0916 -16.0916 -16.0761 -16.0761 -16.0685 -16.0685 -8.4104 -8.4104 -7.8321 -7.8321 -7.8274 -7.8274 -6.4750 -6.4750 -4.7437 -4.7437 -4.6865 -4.6865 -4.5038 -4.5038 -4.1636 -4.1636 -4.0633 -4.0633 -3.4157 -3.4157 -3.0618 -3.0618 -2.9103 -2.9103 -2.4772 -2.4772 -2.4283 -2.4283 -2.4198 -2.4198 -2.3914 -2.3914 -2.2444 -2.2444 -2.1891 -2.1891 -1.6517 -1.6517 -1.6206 -1.6206 -1.5790 -1.5790 -1.2131 -1.2131 -1.0682 -1.0682 -1.0040 -1.0040 -0.2804 -0.2804 -0.0981 -0.0981 -0.0208 -0.0208 4.1839 4.1839 4.2105 4.2105 5.7829 5.7829 5.8428 5.8428 6.0558 6.0558 6.2885 6.2885 6.3422 6.3422 k = 0.0909 0.1575-0.0000 ( 16615 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5503 -16.5503 -16.2492 -16.2492 -16.2456 -16.2456 -16.0906 -16.0906 -16.0778 -16.0778 -16.0701 -16.0701 -8.4222 -8.4222 -7.8290 -7.8290 -7.8250 -7.8250 -6.4457 -6.4457 -4.7370 -4.7370 -4.6802 -4.6802 -4.5263 -4.5263 -4.1746 -4.1746 -4.0924 -4.0924 -3.4156 -3.4156 -3.0466 -3.0466 -2.9145 -2.9145 -2.4880 -2.4880 -2.4447 -2.4447 -2.4266 -2.4266 -2.3866 -2.3866 -2.2324 -2.2324 -2.1840 -2.1840 -1.6370 -1.6370 -1.6316 -1.6316 -1.5708 -1.5708 -1.2198 -1.2198 -1.0515 -1.0515 -0.9967 -0.9967 -0.2796 -0.2796 -0.0932 -0.0932 -0.0198 -0.0198 4.1808 4.1808 4.2033 4.2033 5.7990 5.7990 5.8718 5.8718 6.0716 6.0716 6.2851 6.2851 6.3322 6.3322 k = 0.0808 0.1400-0.0000 ( 16627 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5544 -16.5544 -16.2455 -16.2455 -16.2426 -16.2426 -16.0897 -16.0897 -16.0795 -16.0795 -16.0716 -16.0716 -8.4329 -8.4329 -7.8263 -7.8263 -7.8230 -7.8230 -6.4180 -6.4180 -4.7305 -4.7305 -4.6742 -4.6742 -4.5480 -4.5480 -4.1848 -4.1848 -4.1193 -4.1193 -3.4154 -3.4154 -3.0309 -3.0309 -2.9183 -2.9183 -2.5058 -2.5058 -2.4609 -2.4609 -2.4331 -2.4331 -2.3764 -2.3764 -2.2200 -2.2200 -2.1791 -2.1791 -1.6441 -1.6441 -1.6198 -1.6198 -1.5633 -1.5633 -1.2276 -1.2276 -1.0356 -1.0356 -0.9902 -0.9902 -0.2792 -0.2792 -0.0889 -0.0889 -0.0189 -0.0189 4.1779 4.1779 4.1960 4.1960 5.8138 5.8138 5.9010 5.9010 6.0868 6.0868 6.2832 6.2832 6.3240 6.3240 k = 0.0707 0.1225-0.0000 ( 16627 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5580 -16.5580 -16.2422 -16.2422 -16.2398 -16.2398 -16.0890 -16.0890 -16.0811 -16.0811 -16.0730 -16.0730 -8.4425 -8.4425 -7.8238 -7.8238 -7.8212 -7.8212 -6.3922 -6.3922 -4.7244 -4.7244 -4.6686 -4.6686 -4.5684 -4.5684 -4.1941 -4.1941 -4.1436 -4.1436 -3.4150 -3.4150 -3.0148 -3.0148 -2.9217 -2.9217 -2.5295 -2.5295 -2.4695 -2.4695 -2.4422 -2.4422 -2.3652 -2.3652 -2.2080 -2.2080 -2.1748 -2.1748 -1.6541 -1.6541 -1.6041 -1.6041 -1.5566 -1.5566 -1.2361 -1.2361 -1.0209 -1.0209 -0.9844 -0.9844 -0.2791 -0.2791 -0.0853 -0.0853 -0.0179 -0.0179 4.1755 4.1755 4.1898 4.1898 5.8272 5.8272 5.9300 5.9300 6.1012 6.1012 6.2831 6.2831 6.3178 6.3178 k = 0.0606 0.1050-0.0000 ( 16619 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5612 -16.5612 -16.2392 -16.2392 -16.2373 -16.2373 -16.0884 -16.0884 -16.0825 -16.0825 -16.0742 -16.0742 -8.4508 -8.4508 -7.8217 -7.8217 -7.8197 -7.8197 -6.3688 -6.3688 -4.7188 -4.7188 -4.6635 -4.6635 -4.5873 -4.5873 -4.2024 -4.2024 -4.1651 -4.1651 -3.4146 -3.4146 -2.9987 -2.9987 -2.9245 -2.9245 -2.5549 -2.5549 -2.4745 -2.4745 -2.4518 -2.4518 -2.3548 -2.3548 -2.1969 -2.1969 -2.1708 -2.1708 -1.6630 -1.6630 -1.5889 -1.5889 -1.5507 -1.5507 -1.2449 -1.2449 -1.0077 -1.0077 -0.9793 -0.9793 -0.2791 -0.2791 -0.0822 -0.0822 -0.0165 -0.0165 4.1734 4.1734 4.1843 4.1843 5.8390 5.8390 5.9581 5.9581 6.1145 6.1145 6.2855 6.2855 6.3141 6.3141 k = 0.0505 0.0875-0.0000 ( 16627 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5639 -16.5639 -16.2365 -16.2365 -16.2352 -16.2352 -16.0879 -16.0879 -16.0838 -16.0838 -16.0752 -16.0752 -8.4580 -8.4580 -7.8198 -7.8198 -7.8184 -7.8184 -6.3481 -6.3481 -4.7138 -4.7138 -4.6592 -4.6592 -4.6040 -4.6040 -4.2097 -4.2097 -4.1836 -4.1836 -3.4141 -3.4141 -2.9831 -2.9831 -2.9267 -2.9267 -2.5795 -2.5795 -2.4778 -2.4778 -2.4607 -2.4607 -2.3458 -2.3458 -2.1871 -2.1871 -2.1672 -2.1672 -1.6708 -1.6708 -1.5745 -1.5745 -1.5456 -1.5456 -1.2537 -1.2537 -0.9963 -0.9963 -0.9747 -0.9747 -0.2794 -0.2794 -0.0799 -0.0799 -0.0154 -0.0154 4.1716 4.1716 4.1792 4.1792 5.8490 5.8490 5.9846 5.9846 6.1262 6.1262 6.2907 6.2907 6.3134 6.3134 k = 0.0404 0.0700-0.0000 ( 16607 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2470 -55.2470 -16.5662 -16.5662 -16.2343 -16.2343 -16.2335 -16.2335 -16.0875 -16.0875 -16.0849 -16.0849 -16.0760 -16.0760 -8.4638 -8.4638 -7.8183 -7.8183 -7.8174 -7.8174 -6.3305 -6.3305 -4.7096 -4.7096 -4.6556 -4.6556 -4.6181 -4.6181 -4.2157 -4.2157 -4.1989 -4.1989 -3.4137 -3.4137 -2.9685 -2.9685 -2.9281 -2.9281 -2.6020 -2.6020 -2.4802 -2.4802 -2.4686 -2.4686 -2.3383 -2.3383 -2.1790 -2.1790 -2.1640 -2.1640 -1.6773 -1.6773 -1.5616 -1.5616 -1.5413 -1.5413 -1.2620 -1.2620 -0.9870 -0.9870 -0.9707 -0.9707 -0.2793 -0.2793 -0.0777 -0.0777 -0.0140 -0.0140 4.1703 4.1703 4.1753 4.1753 5.8573 5.8573 6.0087 6.0087 6.1359 6.1359 6.2993 6.2993 6.3164 6.3164 k = 0.0303 0.0525-0.0000 ( 16623 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5679 -16.5679 -16.2326 -16.2326 -16.2321 -16.2321 -16.0873 -16.0873 -16.0858 -16.0858 -16.0766 -16.0766 -8.4684 -8.4684 -7.8171 -7.8171 -7.8166 -7.8166 -6.3164 -6.3164 -4.7064 -4.7064 -4.6533 -4.6533 -4.6289 -4.6289 -4.2207 -4.2207 -4.2110 -4.2110 -3.4133 -3.4133 -2.9563 -2.9563 -2.9286 -2.9286 -2.6214 -2.6214 -2.4819 -2.4819 -2.4751 -2.4751 -2.3325 -2.3325 -2.1729 -2.1729 -2.1611 -2.1611 -1.6824 -1.6824 -1.5508 -1.5508 -1.5377 -1.5377 -1.2693 -1.2693 -0.9800 -0.9800 -0.9672 -0.9672 -0.2798 -0.2798 -0.0766 -0.0766 -0.0133 -0.0133 4.1689 4.1689 4.1719 4.1719 5.8636 5.8636 6.0291 6.0291 6.1432 6.1432 6.3110 6.3110 6.3237 6.3237 k = 0.0202 0.0350-0.0000 ( 16627 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5691 -16.5691 -16.2313 -16.2313 -16.2311 -16.2311 -16.0871 -16.0871 -16.0864 -16.0864 -16.0770 -16.0770 -8.4717 -8.4717 -7.8163 -7.8163 -7.8160 -7.8160 -6.3061 -6.3061 -4.7041 -4.7041 -4.6525 -4.6525 -4.6357 -4.6357 -4.2246 -4.2246 -4.2195 -4.2195 -3.4130 -3.4130 -2.9476 -2.9476 -2.9277 -2.9277 -2.6365 -2.6365 -2.4832 -2.4832 -2.4797 -2.4797 -2.3283 -2.3283 -2.1689 -2.1689 -2.1585 -2.1585 -1.6861 -1.6861 -1.5429 -1.5429 -1.5347 -1.5347 -1.2752 -1.2752 -0.9754 -0.9754 -0.9641 -0.9641 -0.2800 -0.2800 -0.0757 -0.0757 -0.0125 -0.0125 4.1678 4.1678 4.1696 4.1696 5.8681 5.8681 6.0447 6.0447 6.1483 6.1483 6.3258 6.3258 6.3360 6.3360 k = 0.0101 0.0175-0.0000 ( 16609 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2471 -55.2471 -16.5699 -16.5699 -16.2306 -16.2306 -16.2305 -16.2305 -16.0871 -16.0871 -16.0868 -16.0868 -16.0773 -16.0773 -8.4737 -8.4737 -7.8158 -7.8158 -7.8156 -7.8156 -6.2998 -6.2998 -4.7029 -4.7029 -4.6531 -4.6531 -4.6388 -4.6388 -4.2272 -4.2272 -4.2241 -4.2241 -3.4128 -3.4128 -2.9431 -2.9431 -2.9257 -2.9257 -2.6461 -2.6461 -2.4841 -2.4841 -2.4824 -2.4824 -2.3258 -2.3258 -2.1667 -2.1667 -2.1567 -2.1567 -1.6884 -1.6884 -1.5386 -1.5386 -1.5322 -1.5322 -1.2789 -1.2789 -0.9729 -0.9729 -0.9620 -0.9620 -0.2800 -0.2800 -0.0750 -0.0750 -0.0119 -0.0119 4.1675 4.1675 4.1688 4.1688 5.8709 5.8709 6.0546 6.0546 6.1513 6.1513 6.3435 6.3435 6.3527 6.3527 k = 0.0000 0.0000 0.0000 ( 16591 PWs) bands (ev): -91.3592 -91.3592 -57.0119 -57.0119 -55.2919 -55.2919 -55.2470 -55.2470 -16.5701 -16.5701 -16.2303 -16.2303 -16.2303 -16.2303 -16.0871 -16.0871 -16.0868 -16.0868 -16.0774 -16.0774 -8.4743 -8.4743 -7.8156 -7.8156 -7.8154 -7.8154 -6.2977 -6.2977 -4.7024 -4.7024 -4.6535 -4.6535 -4.6395 -4.6395 -4.2283 -4.2283 -4.2252 -4.2252 -3.4128 -3.4128 -2.9419 -2.9419 -2.9246 -2.9246 -2.6495 -2.6495 -2.4846 -2.4846 -2.4831 -2.4831 -2.3249 -2.3249 -2.1660 -2.1660 -2.1561 -2.1561 -1.6891 -1.6891 -1.5374 -1.5374 -1.5311 -1.5311 -1.2802 -1.2802 -0.9721 -0.9721 -0.9612 -0.9612 -0.2803 -0.2803 -0.0746 -0.0746 -0.0114 -0.0114 4.1676 4.1676 4.1690 4.1690 5.8717 5.8717 6.0579 6.0579 6.1522 6.1522 6.3600 6.3600 6.3662 6.3662 k = 0.0000 0.0000 0.0000 ( 16591 PWs) bands (ev): -91.3592 -91.3592 -57.0119 -57.0119 -55.2919 -55.2919 -55.2470 -55.2470 -16.5701 -16.5701 -16.2303 -16.2303 -16.2303 -16.2303 -16.0871 -16.0871 -16.0868 -16.0868 -16.0774 -16.0774 -8.4743 -8.4743 -7.8156 -7.8156 -7.8154 -7.8154 -6.2977 -6.2977 -4.7024 -4.7024 -4.6535 -4.6535 -4.6395 -4.6395 -4.2283 -4.2283 -4.2252 -4.2252 -3.4128 -3.4128 -2.9419 -2.9419 -2.9246 -2.9246 -2.6495 -2.6495 -2.4846 -2.4846 -2.4831 -2.4831 -2.3249 -2.3249 -2.1660 -2.1660 -2.1561 -2.1561 -1.6891 -1.6891 -1.5374 -1.5374 -1.5311 -1.5311 -1.2802 -1.2802 -0.9721 -0.9721 -0.9612 -0.9612 -0.2803 -0.2803 -0.0746 -0.0746 -0.0114 -0.0114 4.1676 4.1676 4.1690 4.1690 5.8717 5.8717 6.0579 6.0579 6.1522 6.1522 6.3600 6.3600 6.3662 6.3662 k = 0.0000 0.0000 0.0202 ( 16615 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5699 -16.5699 -16.2303 -16.2303 -16.2303 -16.2303 -16.0870 -16.0870 -16.0868 -16.0868 -16.0777 -16.0777 -8.4734 -8.4734 -7.8159 -7.8159 -7.8157 -7.8157 -6.3006 -6.3006 -4.7006 -4.7006 -4.6546 -4.6546 -4.6411 -4.6411 -4.2257 -4.2257 -4.2225 -4.2225 -3.4117 -3.4117 -2.9446 -2.9446 -2.9274 -2.9274 -2.6489 -2.6489 -2.4821 -2.4821 -2.4805 -2.4805 -2.3260 -2.3260 -2.1660 -2.1660 -2.1561 -2.1561 -1.6899 -1.6899 -1.5372 -1.5372 -1.5309 -1.5309 -1.2806 -1.2806 -0.9732 -0.9732 -0.9624 -0.9624 -0.2795 -0.2795 -0.0754 -0.0754 -0.0123 -0.0123 4.1675 4.1675 4.1688 4.1688 5.8718 5.8718 6.0596 6.0596 6.1517 6.1517 6.3592 6.3592 6.3619 6.3619 k = 0.0000 0.0000 0.0403 ( 16609 PWs) bands (ev): -91.3594 -91.3594 -57.0119 -57.0119 -55.2920 -55.2920 -55.2471 -55.2471 -16.5692 -16.5692 -16.2305 -16.2305 -16.2304 -16.2304 -16.0869 -16.0869 -16.0866 -16.0866 -16.0785 -16.0785 -8.4705 -8.4705 -7.8167 -7.8167 -7.8166 -7.8166 -6.3092 -6.3092 -4.6955 -4.6955 -4.6575 -4.6575 -4.6456 -4.6456 -4.2174 -4.2174 -4.2136 -4.2136 -3.4088 -3.4088 -2.9522 -2.9522 -2.9352 -2.9352 -2.6473 -2.6473 -2.4748 -2.4748 -2.4731 -2.4731 -2.3290 -2.3290 -2.1658 -2.1658 -2.1561 -2.1561 -1.6922 -1.6922 -1.5365 -1.5365 -1.5303 -1.5303 -1.2819 -1.2819 -0.9766 -0.9766 -0.9658 -0.9658 -0.2782 -0.2782 -0.0767 -0.0767 -0.0135 -0.0135 4.1692 4.1692 4.1705 4.1705 5.8716 5.8716 6.0647 6.0647 6.1503 6.1503 6.3540 6.3540 6.3562 6.3562 k = 0.0000 0.0000 0.0605 ( 16621 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5680 -16.5680 -16.2306 -16.2306 -16.2306 -16.2306 -16.0867 -16.0867 -16.0864 -16.0864 -16.0800 -16.0800 -8.4657 -8.4657 -7.8181 -7.8181 -7.8179 -7.8179 -6.3233 -6.3233 -4.6889 -4.6889 -4.6604 -4.6604 -4.6528 -4.6528 -4.2040 -4.2040 -4.1995 -4.1995 -3.4039 -3.4039 -2.9643 -2.9643 -2.9477 -2.9477 -2.6447 -2.6447 -2.4634 -2.4634 -2.4617 -2.4617 -2.3341 -2.3341 -2.1653 -2.1653 -2.1558 -2.1558 -1.6960 -1.6960 -1.5355 -1.5355 -1.5293 -1.5293 -1.2840 -1.2840 -0.9821 -0.9821 -0.9714 -0.9714 -0.2761 -0.2761 -0.0790 -0.0790 -0.0157 -0.0157 4.1716 4.1716 4.1729 4.1729 5.8713 5.8713 6.0732 6.0732 6.1479 6.1479 6.3438 6.3438 6.3500 6.3500 k = 0.0000 0.0000 0.0807 ( 16633 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5663 -16.5663 -16.2309 -16.2309 -16.2309 -16.2309 -16.0863 -16.0863 -16.0861 -16.0861 -16.0820 -16.0820 -8.4590 -8.4590 -7.8199 -7.8199 -7.8198 -7.8198 -6.3426 -6.3426 -4.6863 -4.6863 -4.6620 -4.6620 -4.6573 -4.6573 -4.1861 -4.1861 -4.1806 -4.1806 -3.3970 -3.3970 -2.9801 -2.9801 -2.9639 -2.9639 -2.6410 -2.6410 -2.4493 -2.4493 -2.4476 -2.4476 -2.3411 -2.3411 -2.1640 -2.1640 -2.1550 -2.1550 -1.7013 -1.7013 -1.5341 -1.5341 -1.5279 -1.5279 -1.2869 -1.2869 -0.9898 -0.9898 -0.9791 -0.9791 -0.2733 -0.2733 -0.0822 -0.0822 -0.0188 -0.0188 4.1749 4.1749 4.1763 4.1763 5.8709 5.8709 6.0850 6.0850 6.1447 6.1447 6.3315 6.3315 6.3403 6.3403 k = 0.0000 0.0000 0.1008 ( 16621 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5642 -16.5642 -16.2312 -16.2312 -16.2312 -16.2312 -16.0859 -16.0859 -16.0857 -16.0857 -16.0845 -16.0845 -8.4504 -8.4504 -7.8223 -7.8223 -7.8222 -7.8222 -6.3667 -6.3667 -4.6916 -4.6916 -4.6728 -4.6728 -4.6445 -4.6445 -4.1639 -4.1639 -4.1574 -4.1574 -3.3883 -3.3883 -2.9985 -2.9985 -2.9827 -2.9827 -2.6362 -2.6362 -2.4339 -2.4339 -2.4324 -2.4324 -2.3500 -2.3500 -2.1614 -2.1614 -2.1529 -2.1529 -1.7081 -1.7081 -1.5323 -1.5323 -1.5261 -1.5261 -1.2906 -1.2906 -0.9996 -0.9996 -0.9889 -0.9889 -0.2692 -0.2692 -0.0860 -0.0860 -0.0224 -0.0224 4.1796 4.1796 4.1809 4.1809 5.8705 5.8705 6.1001 6.1001 6.1406 6.1406 6.3173 6.3173 6.3278 6.3278 k = 0.0000 0.0000 0.1210 ( 16603 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2471 -55.2471 -16.5617 -16.5617 -16.2316 -16.2316 -16.2315 -16.2315 -16.0877 -16.0877 -16.0854 -16.0854 -16.0852 -16.0852 -8.4400 -8.4400 -7.8251 -7.8251 -7.8250 -7.8250 -6.3952 -6.3952 -4.7006 -4.7006 -4.6846 -4.6846 -4.6260 -4.6260 -4.1380 -4.1380 -4.1304 -4.1304 -3.3779 -3.3779 -3.0189 -3.0189 -3.0035 -3.0035 -2.6305 -2.6305 -2.4185 -2.4185 -2.4178 -2.4178 -2.3605 -2.3605 -2.1565 -2.1565 -2.1489 -2.1489 -1.7163 -1.7163 -1.5303 -1.5303 -1.5240 -1.5240 -1.2951 -1.2951 -1.0112 -1.0112 -1.0007 -1.0007 -0.2653 -0.2653 -0.0903 -0.0903 -0.0265 -0.0265 4.1855 4.1855 4.1868 4.1868 5.8697 5.8697 6.1185 6.1185 6.1358 6.1358 6.3016 6.3016 6.3131 6.3131 k = 0.0000 0.0000 0.1412 ( 16603 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2471 -55.2471 -16.5587 -16.5587 -16.2320 -16.2320 -16.2320 -16.2320 -16.0913 -16.0913 -16.0848 -16.0848 -16.0846 -16.0846 -8.4278 -8.4278 -7.8283 -7.8283 -7.8282 -7.8282 -6.4276 -6.4276 -4.7112 -4.7112 -4.6969 -4.6969 -4.6042 -4.6042 -4.1092 -4.1092 -4.1005 -4.1005 -3.3658 -3.3658 -3.0406 -3.0406 -3.0256 -3.0256 -2.6238 -2.6238 -2.4054 -2.4054 -2.4050 -2.4050 -2.3725 -2.3725 -2.1486 -2.1486 -2.1421 -2.1421 -1.7258 -1.7258 -1.5279 -1.5279 -1.5217 -1.5217 -1.3002 -1.3002 -1.0248 -1.0248 -1.0144 -1.0144 -0.2604 -0.2604 -0.0956 -0.0956 -0.0316 -0.0316 4.1917 4.1917 4.1930 4.1930 5.8689 5.8689 6.1301 6.1301 6.1402 6.1402 6.2846 6.2846 6.2968 6.2968 k = 0.0000 0.0000 0.1613 ( 16615 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.5553 -16.5553 -16.2325 -16.2325 -16.2324 -16.2324 -16.0954 -16.0954 -16.0842 -16.0842 -16.0840 -16.0840 -8.4138 -8.4138 -7.8320 -7.8320 -7.8318 -7.8318 -6.4633 -6.4633 -4.7223 -4.7223 -4.7094 -4.7094 -4.5800 -4.5800 -4.0778 -4.0778 -4.0680 -4.0680 -3.3522 -3.3522 -3.0631 -3.0631 -3.0484 -3.0484 -2.6160 -2.6160 -2.3980 -2.3980 -2.3945 -2.3945 -2.3844 -2.3844 -2.1367 -2.1367 -2.1317 -2.1317 -1.7366 -1.7366 -1.5254 -1.5254 -1.5193 -1.5193 -1.3059 -1.3059 -1.0400 -1.0400 -1.0298 -1.0298 -0.2558 -0.2558 -0.1017 -0.1017 -0.0374 -0.0374 4.1987 4.1987 4.2000 4.2000 5.8677 5.8677 6.1240 6.1240 6.1648 6.1648 6.2667 6.2667 6.2795 6.2795 k = 0.0000 0.0000 0.1815 ( 16603 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2470 -55.2470 -16.5515 -16.5515 -16.2330 -16.2330 -16.2329 -16.2329 -16.0999 -16.0999 -16.0835 -16.0835 -16.0833 -16.0833 -8.3981 -8.3981 -7.8360 -7.8360 -7.8357 -7.8357 -6.5020 -6.5020 -4.7336 -4.7336 -4.7219 -4.7219 -4.5541 -4.5541 -4.0441 -4.0441 -4.0332 -4.0332 -3.3371 -3.3371 -3.0859 -3.0859 -3.0715 -3.0715 -2.6074 -2.6074 -2.4048 -2.4048 -2.3883 -2.3883 -2.3878 -2.3878 -2.1205 -2.1205 -2.1170 -2.1170 -1.7487 -1.7487 -1.5228 -1.5228 -1.5166 -1.5166 -1.3123 -1.3123 -1.0568 -1.0568 -1.0468 -1.0468 -0.2501 -0.2501 -0.1081 -0.1081 -0.0435 -0.0435 4.2064 4.2064 4.2077 4.2077 5.8666 5.8666 6.1174 6.1174 6.1925 6.1925 6.2484 6.2484 6.2615 6.2615 k = 0.0000 0.0000 0.2016 ( 16615 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2470 -55.2470 -16.5473 -16.5473 -16.2336 -16.2336 -16.2335 -16.2335 -16.1049 -16.1049 -16.0827 -16.0827 -16.0825 -16.0825 -8.3809 -8.3809 -7.8402 -7.8402 -7.8399 -7.8399 -6.5430 -6.5430 -4.7447 -4.7447 -4.7342 -4.7342 -4.5271 -4.5271 -4.0085 -4.0085 -3.9966 -3.9966 -3.3209 -3.3209 -3.1087 -3.1087 -3.0945 -3.0945 -2.5979 -2.5979 -2.4202 -2.4202 -2.3884 -2.3884 -2.3867 -2.3867 -2.1000 -2.1000 -2.0979 -2.0979 -1.7619 -1.7619 -1.5200 -1.5200 -1.5139 -1.5139 -1.3191 -1.3191 -1.0750 -1.0750 -1.0651 -1.0651 -0.2446 -0.2446 -0.1155 -0.1155 -0.0504 -0.0504 4.2145 4.2145 4.2158 4.2158 5.8653 5.8653 6.1104 6.1104 6.2231 6.2231 6.2297 6.2297 6.2432 6.2432 k = 0.0000 0.0000 0.2218 ( 16621 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2470 -55.2470 -16.5428 -16.5428 -16.2341 -16.2341 -16.2340 -16.2340 -16.1102 -16.1102 -16.0819 -16.0819 -16.0818 -16.0818 -8.3620 -8.3620 -7.8447 -7.8447 -7.8443 -7.8443 -6.5860 -6.5860 -4.7556 -4.7556 -4.7460 -4.7460 -4.4993 -4.4993 -3.9714 -3.9714 -3.9584 -3.9584 -3.3035 -3.3035 -3.1311 -3.1311 -3.1171 -3.1171 -2.5875 -2.5875 -2.4374 -2.4374 -2.3927 -2.3927 -2.3896 -2.3896 -2.0757 -2.0757 -2.0749 -2.0749 -1.7761 -1.7761 -1.5173 -1.5173 -1.5112 -1.5112 -1.3264 -1.3264 -1.0945 -1.0945 -1.0848 -1.0848 -0.2386 -0.2386 -0.1233 -0.1233 -0.0577 -0.0577 4.2228 4.2228 4.2241 4.2241 5.8639 5.8639 6.1031 6.1031 6.2110 6.2110 6.2247 6.2247 6.2566 6.2566 k = 0.0000 0.0000 0.2420 ( 16645 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.5381 -16.5381 -16.2347 -16.2347 -16.2346 -16.2346 -16.1159 -16.1159 -16.0811 -16.0811 -16.0810 -16.0810 -8.3418 -8.3418 -7.8493 -7.8493 -7.8488 -7.8488 -6.6305 -6.6305 -4.7660 -4.7660 -4.7574 -4.7574 -4.4711 -4.4711 -3.9329 -3.9329 -3.9189 -3.9189 -3.2853 -3.2853 -3.1531 -3.1531 -3.1392 -3.1392 -2.5763 -2.5763 -2.4556 -2.4556 -2.4007 -2.4007 -2.3967 -2.3967 -2.0486 -2.0486 -2.0484 -2.0484 -1.7913 -1.7913 -1.5145 -1.5145 -1.5085 -1.5085 -1.3341 -1.3341 -1.1149 -1.1149 -1.1055 -1.1055 -0.2330 -0.2330 -0.1319 -0.1319 -0.0655 -0.0655 4.2315 4.2315 4.2328 4.2328 5.8622 5.8622 6.0956 6.0956 6.1925 6.1925 6.2064 6.2064 6.2927 6.2927 k = 0.0000 0.0000 0.2621 ( 16663 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.5330 -16.5330 -16.2353 -16.2353 -16.2352 -16.2352 -16.1218 -16.1218 -16.0803 -16.0803 -16.0802 -16.0802 -8.3202 -8.3202 -7.8541 -7.8541 -7.8534 -7.8534 -6.6761 -6.6761 -4.7760 -4.7760 -4.7681 -4.7681 -4.4429 -4.4429 -3.8933 -3.8933 -3.8784 -3.8784 -3.2665 -3.2665 -3.1743 -3.1743 -3.1605 -3.1605 -2.5644 -2.5644 -2.4744 -2.4744 -2.4119 -2.4119 -2.4073 -2.4073 -2.0198 -2.0198 -2.0188 -2.0188 -1.8073 -1.8073 -1.5119 -1.5119 -1.5060 -1.5060 -1.3420 -1.3420 -1.1363 -1.1363 -1.1270 -1.1270 -0.2269 -0.2269 -0.1407 -0.1407 -0.0735 -0.0735 4.2401 4.2401 4.2413 4.2413 5.8606 5.8606 6.0880 6.0880 6.1743 6.1743 6.1884 6.1884 6.3315 6.3315 k = 0.0000 0.0000 0.2823 ( 16651 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.5278 -16.5278 -16.2359 -16.2359 -16.2358 -16.2358 -16.1280 -16.1280 -16.0795 -16.0795 -16.0794 -16.0794 -8.2974 -8.2974 -7.8588 -7.8588 -7.8581 -7.8581 -6.7224 -6.7224 -4.7853 -4.7853 -4.7782 -4.7782 -4.4150 -4.4150 -3.8529 -3.8529 -3.8370 -3.8370 -3.2473 -3.2473 -3.1946 -3.1946 -3.1807 -3.1807 -2.5518 -2.5518 -2.4937 -2.4937 -2.4258 -2.4258 -2.4207 -2.4207 -1.9893 -1.9893 -1.9875 -1.9875 -1.8240 -1.8240 -1.5094 -1.5094 -1.5036 -1.5036 -1.3501 -1.3501 -1.1583 -1.1583 -1.1493 -1.1493 -0.2213 -0.2213 -0.1494 -0.1494 -0.0811 -0.0811 4.2495 4.2495 4.2508 4.2508 5.8588 5.8588 6.0805 6.0805 6.1568 6.1568 6.1711 6.1711 6.3726 6.3726 k = 0.0000 0.0000 0.3025 ( 16675 PWs) bands (ev): -91.3599 -91.3599 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.5224 -16.5224 -16.2365 -16.2365 -16.2364 -16.2364 -16.1344 -16.1344 -16.0787 -16.0787 -16.0786 -16.0786 -8.2735 -8.2735 -7.8636 -7.8636 -7.8628 -7.8628 -6.7690 -6.7690 -4.7941 -4.7941 -4.7876 -4.7876 -4.3876 -4.3876 -3.8121 -3.8121 -3.7953 -3.7953 -3.2287 -3.2287 -3.2140 -3.2140 -3.1992 -3.1992 -2.5387 -2.5387 -2.5131 -2.5131 -2.4420 -2.4420 -2.4367 -2.4367 -1.9575 -1.9575 -1.9553 -1.9553 -1.8413 -1.8413 -1.5072 -1.5072 -1.5014 -1.5014 -1.3583 -1.3583 -1.1809 -1.1809 -1.1721 -1.1721 -0.2163 -0.2163 -0.1588 -0.1588 -0.0891 -0.0891 4.2583 4.2583 4.2595 4.2595 5.8568 5.8568 6.0731 6.0731 6.1399 6.1399 6.1543 6.1543 6.4160 6.4160 k = 0.0000 0.0000 0.3226 ( 16675 PWs) bands (ev): -91.3599 -91.3599 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.5168 -16.5168 -16.2371 -16.2371 -16.2370 -16.2370 -16.1408 -16.1408 -16.0779 -16.0779 -16.0778 -16.0778 -8.2488 -8.2488 -7.8683 -7.8683 -7.8674 -7.8674 -6.8154 -6.8154 -4.8021 -4.8021 -4.7963 -4.7963 -4.3610 -4.3610 -3.7711 -3.7711 -3.7533 -3.7533 -3.2322 -3.2322 -3.2223 -3.2223 -3.2045 -3.2045 -2.5326 -2.5326 -2.5250 -2.5250 -2.4600 -2.4600 -2.4546 -2.4546 -1.9250 -1.9250 -1.9224 -1.9224 -1.8589 -1.8589 -1.5052 -1.5052 -1.4995 -1.4995 -1.3666 -1.3666 -1.2038 -1.2038 -1.1952 -1.1952 -0.2118 -0.2118 -0.1678 -0.1678 -0.0964 -0.0964 4.2673 4.2673 4.2686 4.2686 5.8548 5.8548 6.0659 6.0659 6.1239 6.1239 6.1385 6.1385 6.4615 6.4615 k = 0.0000 0.0000 0.3428 ( 16669 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.5113 -16.5113 -16.2377 -16.2377 -16.2375 -16.2375 -16.1473 -16.1473 -16.0771 -16.0771 -16.0770 -16.0770 -8.2234 -8.2234 -7.8728 -7.8728 -7.8718 -7.8718 -6.8614 -6.8614 -4.8095 -4.8095 -4.8042 -4.8042 -4.3356 -4.3356 -3.7303 -3.7303 -3.7115 -3.7115 -3.2492 -3.2492 -3.2372 -3.2372 -3.1874 -3.1874 -2.5515 -2.5515 -2.5111 -2.5111 -2.4794 -2.4794 -2.4741 -2.4741 -1.8923 -1.8923 -1.8895 -1.8895 -1.8768 -1.8768 -1.5035 -1.5035 -1.4980 -1.4980 -1.3747 -1.3747 -1.2268 -1.2268 -1.2184 -1.2184 -0.2077 -0.2077 -0.1767 -0.1767 -0.1032 -0.1032 4.2760 4.2760 4.2773 4.2773 5.8528 5.8528 6.0591 6.0591 6.1088 6.1088 6.1235 6.1235 6.5088 6.5088 k = 0.0000 0.0000 0.3630 ( 16668 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.5057 -16.5057 -16.2382 -16.2382 -16.2380 -16.2380 -16.1537 -16.1537 -16.0763 -16.0763 -16.0763 -16.0763 -8.1977 -8.1977 -7.8771 -7.8771 -7.8761 -7.8761 -6.9063 -6.9063 -4.8162 -4.8162 -4.8114 -4.8114 -4.3114 -4.3114 -3.6899 -3.6899 -3.6702 -3.6702 -3.2650 -3.2650 -3.2527 -3.2527 -3.1692 -3.1692 -2.5700 -2.5700 -2.5007 -2.5007 -2.4962 -2.4962 -2.4949 -2.4949 -1.8949 -1.8949 -1.8595 -1.8595 -1.8564 -1.8564 -1.5022 -1.5022 -1.4969 -1.4969 -1.3827 -1.3827 -1.2498 -1.2498 -1.2416 -1.2416 -0.2046 -0.2046 -0.1855 -0.1855 -0.1094 -0.1094 4.2844 4.2844 4.2857 4.2857 5.8508 5.8508 6.0526 6.0526 6.0947 6.0947 6.1096 6.1096 6.5437 6.5437 k = 0.0000 0.0000 0.3831 ( 16644 PWs) bands (ev): -91.3597 -91.3597 -57.0120 -57.0120 -55.2920 -55.2920 -55.2472 -55.2472 -16.5003 -16.5003 -16.2387 -16.2387 -16.2385 -16.2385 -16.1599 -16.1599 -16.0756 -16.0756 -16.0756 -16.0756 -8.1718 -8.1718 -7.8812 -7.8812 -7.8801 -7.8801 -6.9499 -6.9499 -4.8222 -4.8222 -4.8179 -4.8179 -4.2887 -4.2887 -3.6504 -3.6504 -3.6297 -3.6297 -3.2795 -3.2795 -3.2670 -3.2670 -3.1515 -3.1515 -2.5876 -2.5876 -2.5214 -2.5214 -2.5165 -2.5165 -2.4825 -2.4825 -1.9128 -1.9128 -1.8271 -1.8271 -1.8239 -1.8239 -1.5014 -1.5014 -1.4963 -1.4963 -1.3904 -1.3904 -1.2726 -1.2726 -1.2645 -1.2645 -0.2020 -0.2020 -0.1937 -0.1937 -0.1144 -0.1144 4.2926 4.2926 4.2940 4.2940 5.8489 5.8489 6.0466 6.0466 6.0818 6.0818 6.0968 6.0968 6.5562 6.5562 k = 0.0000 0.0000 0.4033 ( 16656 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4950 -16.4950 -16.2392 -16.2392 -16.2390 -16.2390 -16.1659 -16.1659 -16.0750 -16.0750 -16.0750 -16.0750 -8.1463 -8.1463 -7.8851 -7.8851 -7.8838 -7.8838 -6.9917 -6.9917 -4.8276 -4.8276 -4.8237 -4.8237 -4.2677 -4.2677 -3.6123 -3.6123 -3.5907 -3.5907 -3.2926 -3.2926 -3.2801 -3.2801 -3.1350 -3.1350 -2.6042 -2.6042 -2.5429 -2.5429 -2.5385 -2.5385 -2.4684 -2.4684 -1.9302 -1.9302 -1.7952 -1.7952 -1.7920 -1.7920 -1.5011 -1.5011 -1.4963 -1.4963 -1.3977 -1.3977 -1.2950 -1.2950 -1.2870 -1.2870 -0.2017 -0.2017 -0.2013 -0.2013 -0.1188 -0.1188 4.2999 4.2999 4.3013 4.3013 5.8467 5.8467 6.0411 6.0411 6.0700 6.0700 6.0851 6.0851 6.5678 6.5678 k = 0.0000 0.0000 0.4235 ( 16650 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2920 -55.2920 -55.2472 -55.2472 -16.4900 -16.4900 -16.2396 -16.2396 -16.2394 -16.2394 -16.1716 -16.1716 -16.0744 -16.0744 -16.0744 -16.0744 -8.1215 -8.1215 -7.8885 -7.8885 -7.8872 -7.8872 -7.0310 -7.0310 -4.8323 -4.8323 -4.8288 -4.8288 -4.2487 -4.2487 -3.5762 -3.5762 -3.5534 -3.5534 -3.3043 -3.3043 -3.2917 -3.2917 -3.1198 -3.1198 -2.6195 -2.6195 -2.5643 -2.5643 -2.5604 -2.5604 -2.4547 -2.4547 -1.9470 -1.9470 -1.7642 -1.7642 -1.7609 -1.7609 -1.5015 -1.5015 -1.4970 -1.4970 -1.4045 -1.4045 -1.3167 -1.3167 -1.3088 -1.3088 -0.2091 -0.2091 -0.2009 -0.2009 -0.1220 -0.1220 4.3067 4.3067 4.3081 4.3081 5.8448 5.8448 6.0362 6.0362 6.0595 6.0595 6.0747 6.0747 6.5785 6.5785 k = 0.0000 0.0000 0.4436 ( 16656 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4854 -16.4854 -16.2400 -16.2400 -16.2398 -16.2398 -16.1768 -16.1768 -16.0739 -16.0739 -16.0739 -16.0739 -8.0979 -8.0979 -7.8916 -7.8916 -7.8903 -7.8903 -7.0672 -7.0672 -4.8365 -4.8365 -4.8332 -4.8332 -4.2317 -4.2317 -3.5425 -3.5425 -3.5187 -3.5187 -3.3146 -3.3146 -3.3019 -3.3019 -3.1060 -3.1060 -2.6333 -2.6333 -2.5850 -2.5850 -2.5817 -2.5817 -2.4416 -2.4416 -1.9628 -1.9628 -1.7342 -1.7342 -1.7308 -1.7308 -1.5028 -1.5028 -1.4987 -1.4987 -1.4107 -1.4107 -1.3375 -1.3375 -1.3295 -1.3295 -0.2159 -0.2159 -0.2016 -0.2016 -0.1242 -0.1242 4.3125 4.3125 4.3139 4.3139 5.8431 5.8431 6.0318 6.0318 6.0503 6.0503 6.0655 6.0655 6.5881 6.5882 k = 0.0000 0.0000 0.4638 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4813 -16.4813 -16.2403 -16.2403 -16.2401 -16.2401 -16.1815 -16.1815 -16.0734 -16.0734 -16.0734 -16.0734 -8.0762 -8.0762 -7.8943 -7.8943 -7.8929 -7.8929 -7.0998 -7.0998 -4.8398 -4.8398 -4.8368 -4.8368 -4.2170 -4.2170 -3.5119 -3.5119 -3.4871 -3.4871 -3.3234 -3.3234 -3.3106 -3.3106 -3.0941 -3.0941 -2.6454 -2.6454 -2.6042 -2.6042 -2.6017 -2.6017 -2.4295 -2.4295 -1.9772 -1.9772 -1.7055 -1.7055 -1.7021 -1.7021 -1.5052 -1.5052 -1.5016 -1.5016 -1.4162 -1.4162 -1.3568 -1.3568 -1.3486 -1.3486 -0.2214 -0.2214 -0.2026 -0.2026 -0.1254 -0.1254 4.3182 4.3182 4.3196 4.3196 5.8415 5.8415 6.0281 6.0281 6.0425 6.0425 6.0578 6.0578 6.5965 6.5966 k = 0.0000 0.0000 0.4840 ( 16674 PWs) bands (ev): -91.3599 -91.3599 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4777 -16.4777 -16.2406 -16.2406 -16.2404 -16.2404 -16.1855 -16.1855 -16.0731 -16.0731 -16.0731 -16.0731 -8.0571 -8.0571 -7.8965 -7.8965 -7.8951 -7.8951 -7.1280 -7.1280 -4.8427 -4.8427 -4.8399 -4.8399 -4.2048 -4.2048 -3.4853 -3.4853 -3.4594 -3.4594 -3.3309 -3.3309 -3.3178 -3.3178 -3.0843 -3.0843 -2.6557 -2.6557 -2.6215 -2.6215 -2.6197 -2.6197 -2.4188 -2.4188 -1.9899 -1.9899 -1.6785 -1.6785 -1.6750 -1.6750 -1.5092 -1.5092 -1.5061 -1.5061 -1.4210 -1.4210 -1.3740 -1.3740 -1.3657 -1.3657 -0.2267 -0.2267 -0.2046 -0.2046 -0.1269 -0.1269 4.3219 4.3219 4.3234 4.3234 5.8399 5.8399 6.0251 6.0251 6.0359 6.0359 6.0512 6.0512 6.6036 6.6036 k = 0.0000 0.0000 0.5041 ( 16656 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4749 -16.4749 -16.2408 -16.2408 -16.2406 -16.2406 -16.1887 -16.1887 -16.0728 -16.0728 -16.0728 -16.0728 -8.0411 -8.0411 -7.8983 -7.8983 -7.8968 -7.8968 -7.1510 -7.1510 -4.8449 -4.8449 -4.8422 -4.8422 -4.1951 -4.1951 -3.4634 -3.4634 -3.4364 -3.4364 -3.3369 -3.3369 -3.3235 -3.3235 -3.0763 -3.0763 -2.6640 -2.6640 -2.6358 -2.6358 -2.6349 -2.6349 -2.4098 -2.4098 -2.0003 -2.0003 -1.6537 -1.6537 -1.6501 -1.6501 -1.5148 -1.5148 -1.5123 -1.5123 -1.4249 -1.4249 -1.3883 -1.3883 -1.3799 -1.3799 -0.2306 -0.2306 -0.2058 -0.2058 -0.1270 -0.1270 4.3255 4.3255 4.3270 4.3270 5.8390 5.8390 6.0227 6.0227 6.0308 6.0308 6.0462 6.0462 6.6092 6.6092 k = 0.0000 0.0000 0.5243 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4727 -16.4727 -16.2409 -16.2409 -16.2407 -16.2407 -16.1911 -16.1911 -16.0726 -16.0726 -16.0725 -16.0725 -8.0291 -8.0291 -7.8996 -7.8996 -7.8981 -7.8981 -7.1680 -7.1680 -4.8463 -4.8463 -4.8438 -4.8438 -4.1881 -4.1881 -3.4470 -3.4470 -3.4189 -3.4189 -3.3415 -3.3415 -3.3276 -3.3276 -3.0706 -3.0706 -2.6701 -2.6701 -2.6465 -2.6465 -2.6464 -2.6464 -2.4031 -2.4031 -2.0082 -2.0082 -1.6324 -1.6324 -1.6285 -1.6285 -1.5220 -1.5220 -1.5198 -1.5198 -1.4280 -1.4280 -1.3989 -1.3989 -1.3905 -1.3905 -0.2331 -0.2331 -0.2068 -0.2068 -0.1272 -0.1272 4.3285 4.3285 4.3300 4.3300 5.8381 5.8381 6.0210 6.0210 6.0273 6.0273 6.0427 6.0427 6.6133 6.6133 k = 0.0000 0.0000 0.5445 ( 16620 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4714 -16.4714 -16.2410 -16.2410 -16.2408 -16.2408 -16.1925 -16.1925 -16.0724 -16.0724 -16.0724 -16.0724 -8.0216 -8.0216 -7.9003 -7.9003 -7.8988 -7.8988 -7.1785 -7.1785 -4.8472 -4.8472 -4.8447 -4.8447 -4.1838 -4.1838 -3.4368 -3.4368 -3.4079 -3.4079 -3.3444 -3.3444 -3.3301 -3.3301 -3.0671 -3.0671 -2.6739 -2.6739 -2.6536 -2.6536 -2.6531 -2.6531 -2.3989 -2.3989 -2.0131 -2.0131 -1.6168 -1.6168 -1.6125 -1.6125 -1.5292 -1.5292 -1.5269 -1.5269 -1.4301 -1.4301 -1.4054 -1.4054 -1.3970 -1.3970 -0.2347 -0.2347 -0.2075 -0.2075 -0.1272 -0.1272 4.3302 4.3302 4.3317 4.3317 5.8376 5.8376 6.0200 6.0200 6.0252 6.0252 6.0406 6.0406 6.6157 6.6157 k = 0.0000 0.0000 0.5646 ( 16626 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4710 -16.4710 -16.2411 -16.2411 -16.2408 -16.2408 -16.1930 -16.1930 -16.0724 -16.0724 -16.0724 -16.0724 -8.0190 -8.0190 -7.9006 -7.9006 -7.8991 -7.8991 -7.1821 -7.1821 -4.8475 -4.8475 -4.8451 -4.8451 -4.1824 -4.1824 -3.4334 -3.4334 -3.4041 -3.4041 -3.3455 -3.3455 -3.3310 -3.3310 -3.0660 -3.0660 -2.6752 -2.6752 -2.6561 -2.6561 -2.6554 -2.6554 -2.3974 -2.3974 -2.0148 -2.0148 -1.6108 -1.6108 -1.6062 -1.6062 -1.5325 -1.5325 -1.5302 -1.5302 -1.4308 -1.4308 -1.4075 -1.4075 -1.3992 -1.3992 -0.2353 -0.2353 -0.2079 -0.2079 -0.1273 -0.1273 4.3306 4.3306 4.3321 4.3321 5.8374 5.8374 6.0196 6.0196 6.0244 6.0244 6.0399 6.0399 6.6165 6.6183 k = 0.0000 0.0000 0.5646 ( 16626 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4710 -16.4710 -16.2411 -16.2411 -16.2408 -16.2408 -16.1930 -16.1930 -16.0724 -16.0724 -16.0724 -16.0724 -8.0190 -8.0190 -7.9006 -7.9006 -7.8991 -7.8991 -7.1821 -7.1821 -4.8475 -4.8475 -4.8451 -4.8451 -4.1824 -4.1824 -3.4334 -3.4334 -3.4041 -3.4041 -3.3455 -3.3455 -3.3310 -3.3310 -3.0660 -3.0660 -2.6752 -2.6752 -2.6561 -2.6561 -2.6554 -2.6554 -2.3974 -2.3974 -2.0148 -2.0148 -1.6108 -1.6108 -1.6062 -1.6062 -1.5325 -1.5325 -1.5302 -1.5302 -1.4308 -1.4308 -1.4075 -1.4075 -1.3992 -1.3992 -0.2353 -0.2353 -0.2079 -0.2079 -0.1273 -0.1273 4.3306 4.3306 4.3321 4.3321 5.8374 5.8374 6.0196 6.0196 6.0244 6.0244 6.0399 6.0399 6.6165 6.6166 k = 0.0172 0.0100 0.5646 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4708 -16.4708 -16.2414 -16.2414 -16.2410 -16.2410 -16.1926 -16.1926 -16.0725 -16.0725 -16.0724 -16.0724 -8.0189 -8.0189 -7.9021 -7.9021 -7.8996 -7.8996 -7.1792 -7.1792 -4.8474 -4.8474 -4.8449 -4.8449 -4.1829 -4.1829 -3.4379 -3.4379 -3.4092 -3.4092 -3.3431 -3.3431 -3.3279 -3.3279 -3.0657 -3.0657 -2.6744 -2.6744 -2.6558 -2.6558 -2.6549 -2.6549 -2.3966 -2.3966 -2.0138 -2.0138 -1.6109 -1.6109 -1.6063 -1.6063 -1.5329 -1.5329 -1.5305 -1.5305 -1.4307 -1.4307 -1.4074 -1.4074 -1.3991 -1.3991 -0.2352 -0.2352 -0.2077 -0.2077 -0.1270 -0.1270 4.3299 4.3299 4.3315 4.3315 5.8377 5.8377 6.0100 6.0100 6.0299 6.0299 6.0446 6.0446 6.6150 6.6151 k = 0.0345 0.0199 0.5646 ( 16666 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4702 -16.4702 -16.2423 -16.2423 -16.2414 -16.2414 -16.1916 -16.1916 -16.0727 -16.0727 -16.0724 -16.0724 -8.0185 -8.0185 -7.9080 -7.9080 -7.9000 -7.9000 -7.1706 -7.1706 -4.8470 -4.8470 -4.8446 -4.8446 -4.1844 -4.1844 -3.4507 -3.4507 -3.4220 -3.4220 -3.3371 -3.3371 -3.3201 -3.3201 -3.0647 -3.0647 -2.6721 -2.6721 -2.6549 -2.6549 -2.6530 -2.6530 -2.3941 -2.3941 -2.0111 -2.0111 -1.6114 -1.6114 -1.6068 -1.6068 -1.5341 -1.5341 -1.5311 -1.5311 -1.4305 -1.4305 -1.4071 -1.4071 -1.3987 -1.3987 -0.2352 -0.2352 -0.2073 -0.2073 -0.1263 -0.1263 4.3275 4.3275 4.3300 4.3300 5.8383 5.8383 5.9973 5.9973 6.0327 6.0327 6.0560 6.0560 6.6091 6.6092 k = 0.0517 0.0299 0.5646 ( 16662 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4693 -16.4693 -16.2439 -16.2439 -16.2420 -16.2420 -16.1899 -16.1899 -16.0731 -16.0731 -16.0724 -16.0724 -8.0179 -8.0179 -7.9177 -7.9177 -7.9004 -7.9004 -7.1566 -7.1566 -4.8463 -4.8463 -4.8438 -4.8438 -4.1867 -4.1867 -3.4710 -3.4710 -3.4384 -3.4384 -3.3301 -3.3301 -3.3095 -3.3095 -3.0632 -3.0632 -2.6693 -2.6693 -2.6534 -2.6534 -2.6491 -2.6491 -2.3898 -2.3898 -2.0065 -2.0065 -1.6123 -1.6123 -1.6075 -1.6075 -1.5365 -1.5365 -1.5317 -1.5317 -1.4310 -1.4310 -1.4061 -1.4061 -1.3974 -1.3974 -0.2343 -0.2343 -0.2059 -0.2059 -0.1246 -0.1246 4.3240 4.3240 4.3285 4.3285 5.8396 5.8396 5.9846 5.9846 6.0351 6.0351 6.0694 6.0694 6.5975 6.5975 k = 0.0690 0.0398 0.5646 ( 16660 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4680 -16.4680 -16.2460 -16.2460 -16.2429 -16.2429 -16.1876 -16.1876 -16.0737 -16.0737 -16.0725 -16.0725 -8.0170 -8.0170 -7.9306 -7.9306 -7.9009 -7.9009 -7.1378 -7.1378 -4.8452 -4.8452 -4.8428 -4.8428 -4.1899 -4.1899 -3.4979 -3.4979 -3.4561 -3.4561 -3.3241 -3.3241 -3.2967 -3.2967 -3.0612 -3.0612 -2.6671 -2.6671 -2.6514 -2.6514 -2.6430 -2.6430 -2.3836 -2.3836 -2.0001 -2.0001 -1.6137 -1.6137 -1.6084 -1.6084 -1.5399 -1.5399 -1.5322 -1.5322 -1.4332 -1.4332 -1.4040 -1.4040 -1.3950 -1.3950 -0.2332 -0.2332 -0.2041 -0.2041 -0.1223 -0.1223 4.3191 4.3191 4.3263 4.3263 5.8413 5.8413 5.9720 5.9720 6.0378 6.0378 6.0835 6.0835 6.5801 6.5801 k = 0.0862 0.0498 0.5646 ( 16646 PWs) bands (ev): -91.3597 -91.3597 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4663 -16.4663 -16.2485 -16.2485 -16.2440 -16.2440 -16.1850 -16.1850 -16.0745 -16.0745 -16.0726 -16.0726 -8.0158 -8.0158 -7.9461 -7.9461 -7.9015 -7.9015 -7.1146 -7.1146 -4.8438 -4.8438 -4.8414 -4.8414 -4.1939 -4.1939 -3.5301 -3.5301 -3.4745 -3.4745 -3.3198 -3.3198 -3.2822 -3.2822 -3.0587 -3.0587 -2.6657 -2.6657 -2.6490 -2.6490 -2.6349 -2.6349 -2.3756 -2.3756 -1.9921 -1.9921 -1.6157 -1.6157 -1.6096 -1.6096 -1.5441 -1.5441 -1.5327 -1.5327 -1.4377 -1.4377 -1.4004 -1.4004 -1.3910 -1.3910 -0.2318 -0.2318 -0.2017 -0.2017 -0.1192 -0.1192 4.3133 4.3133 4.3238 4.3238 5.8434 5.8434 5.9597 5.9597 6.0411 6.0411 6.0980 6.0980 6.5570 6.5570 k = 0.1034 0.0597 0.5646 ( 16636 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4643 -16.4643 -16.2512 -16.2512 -16.2454 -16.2454 -16.1821 -16.1821 -16.0754 -16.0754 -16.0727 -16.0727 -8.0145 -8.0145 -7.9638 -7.9638 -7.9022 -7.9022 -7.0878 -7.0878 -4.8422 -4.8422 -4.8396 -4.8396 -4.1986 -4.1986 -3.5665 -3.5665 -3.4937 -3.4937 -3.3170 -3.3170 -3.2662 -3.2662 -3.0559 -3.0559 -2.6649 -2.6649 -2.6465 -2.6465 -2.6257 -2.6257 -2.3655 -2.3655 -1.9825 -1.9825 -1.6183 -1.6183 -1.6111 -1.6111 -1.5490 -1.5490 -1.5332 -1.5332 -1.4443 -1.4443 -1.3956 -1.3956 -1.3853 -1.3853 -0.2305 -0.2305 -0.1990 -0.1990 -0.1156 -0.1156 4.3061 4.3061 4.3208 4.3208 5.8457 5.8457 5.9476 5.9476 6.0451 6.0451 6.1125 6.1125 6.5289 6.5289 k = 0.1207 0.0697 0.5646 ( 16636 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4619 -16.4619 -16.2540 -16.2540 -16.2470 -16.2470 -16.1789 -16.1789 -16.0764 -16.0764 -16.0728 -16.0728 -8.0128 -8.0128 -7.9830 -7.9830 -7.9030 -7.9030 -7.0578 -7.0578 -4.8404 -4.8404 -4.8376 -4.8376 -4.2038 -4.2038 -3.6063 -3.6063 -3.5135 -3.5135 -3.3155 -3.3155 -3.2491 -3.2491 -3.0527 -3.0527 -2.6646 -2.6646 -2.6440 -2.6440 -2.6162 -2.6162 -2.3535 -2.3535 -1.9714 -1.9714 -1.6213 -1.6213 -1.6132 -1.6132 -1.5543 -1.5543 -1.5338 -1.5338 -1.4528 -1.4528 -1.3900 -1.3900 -1.3779 -1.3779 -0.2295 -0.2295 -0.1958 -0.1958 -0.1113 -0.1113 4.2980 4.2980 4.3167 4.3167 5.8481 5.8481 5.9358 5.9358 6.0495 6.0495 6.1270 6.1270 6.4965 6.4965 k = 0.1379 0.0796 0.5646 ( 16636 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4591 -16.4591 -16.2570 -16.2570 -16.2489 -16.2489 -16.1756 -16.1756 -16.0775 -16.0775 -16.0730 -16.0730 -8.0110 -8.0110 -8.0032 -8.0032 -7.9040 -7.9040 -7.0254 -7.0254 -4.8384 -4.8384 -4.8351 -4.8351 -4.2094 -4.2094 -3.6488 -3.6488 -3.5341 -3.5341 -3.3151 -3.3151 -3.2311 -3.2311 -3.0492 -3.0492 -2.6644 -2.6644 -2.6417 -2.6417 -2.6071 -2.6071 -2.3395 -2.3395 -1.9590 -1.9590 -1.6248 -1.6248 -1.6160 -1.6160 -1.5597 -1.5597 -1.5344 -1.5344 -1.4628 -1.4628 -1.3834 -1.3834 -1.3692 -1.3692 -0.2286 -0.2286 -0.1923 -0.1923 -0.1066 -0.1066 4.2887 4.2887 4.3125 4.3125 5.8505 5.8505 5.9243 5.9243 6.0545 6.0545 6.1413 6.1413 6.4612 6.4612 k = 0.1552 0.0896 0.5646 ( 16640 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4560 -16.4560 -16.2601 -16.2601 -16.2510 -16.2510 -16.1721 -16.1721 -16.0788 -16.0788 -16.0732 -16.0732 -8.0242 -8.0242 -8.0089 -8.0089 -7.9051 -7.9051 -6.9909 -6.9909 -4.8363 -4.8363 -4.8321 -4.8321 -4.2154 -4.2154 -3.6936 -3.6936 -3.5552 -3.5552 -3.3155 -3.3155 -3.2123 -3.2123 -3.0453 -3.0453 -2.6643 -2.6643 -2.6396 -2.6396 -2.5990 -2.5990 -2.3236 -2.3236 -1.9454 -1.9454 -1.6285 -1.6285 -1.6198 -1.6198 -1.5648 -1.5648 -1.5351 -1.5351 -1.4742 -1.4742 -1.3759 -1.3759 -1.3595 -1.3595 -0.2279 -0.2279 -0.1886 -0.1886 -0.1015 -0.1015 4.2785 4.2785 4.3079 4.3079 5.8527 5.8527 5.9131 5.9131 6.0601 6.0601 6.1555 6.1555 6.4239 6.4239 k = 0.1724 0.0995 0.5646 ( 16642 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4526 -16.4526 -16.2631 -16.2631 -16.2534 -16.2534 -16.1686 -16.1686 -16.0801 -16.0801 -16.0735 -16.0735 -8.0454 -8.0454 -8.0067 -8.0067 -7.9063 -7.9063 -6.9548 -6.9548 -4.8341 -4.8341 -4.8287 -4.8287 -4.2216 -4.2216 -3.7401 -3.7401 -3.5768 -3.5768 -3.3165 -3.3165 -3.1929 -3.1929 -3.0411 -3.0411 -2.6643 -2.6643 -2.6378 -2.6378 -2.5923 -2.5923 -2.3060 -2.3060 -1.9307 -1.9307 -1.6324 -1.6324 -1.6248 -1.6248 -1.5693 -1.5693 -1.5360 -1.5360 -1.4867 -1.4867 -1.3674 -1.3674 -1.3491 -1.3491 -0.2275 -0.2275 -0.1847 -0.1847 -0.0960 -0.0960 4.2676 4.2676 4.3032 4.3032 5.8545 5.8545 5.9024 5.9024 6.0663 6.0663 6.1692 6.1692 6.3855 6.3855 k = 0.1897 0.1095 0.5646 ( 16650 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4489 -16.4489 -16.2662 -16.2662 -16.2561 -16.2561 -16.1650 -16.1650 -16.0815 -16.0815 -16.0739 -16.0739 -8.0666 -8.0666 -8.0043 -8.0043 -7.9076 -7.9076 -6.9175 -6.9175 -4.8318 -4.8318 -4.8248 -4.8248 -4.2278 -4.2278 -3.7881 -3.7881 -3.5987 -3.5987 -3.3180 -3.3180 -3.1730 -3.1730 -3.0365 -3.0365 -2.6643 -2.6643 -2.6362 -2.6362 -2.5874 -2.5874 -2.2868 -2.2868 -1.9151 -1.9151 -1.6364 -1.6364 -1.6310 -1.6310 -1.5730 -1.5730 -1.5371 -1.5371 -1.5003 -1.5003 -1.3579 -1.3579 -1.3383 -1.3383 -0.2275 -0.2275 -0.1806 -0.1806 -0.0903 -0.0903 4.2559 4.2559 4.2980 4.2980 5.8558 5.8558 5.8921 5.8921 6.0730 6.0730 6.1825 6.1825 6.3469 6.3469 k = 0.2069 0.1195 0.5646 ( 16658 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4448 -16.4448 -16.2692 -16.2692 -16.2590 -16.2590 -16.1614 -16.1614 -16.0830 -16.0830 -16.0743 -16.0743 -8.0876 -8.0876 -8.0017 -8.0017 -7.9090 -7.9090 -6.8795 -6.8795 -4.8293 -4.8293 -4.8203 -4.8203 -4.2340 -4.2340 -3.8371 -3.8371 -3.6208 -3.6208 -3.3198 -3.3198 -3.1528 -3.1528 -3.0314 -3.0314 -2.6644 -2.6644 -2.6348 -2.6348 -2.5845 -2.5845 -2.2663 -2.2663 -1.8987 -1.8987 -1.6411 -1.6411 -1.6374 -1.6374 -1.5760 -1.5760 -1.5385 -1.5385 -1.5148 -1.5148 -1.3475 -1.3475 -1.3273 -1.3273 -0.2278 -0.2278 -0.1763 -0.1763 -0.0844 -0.0844 4.2440 4.2440 4.2924 4.2924 5.8561 5.8561 5.8827 5.8827 6.0802 6.0802 6.1949 6.1949 6.3088 6.3088 k = 0.2241 0.1294 0.5646 ( 16656 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4405 -16.4405 -16.2721 -16.2721 -16.2622 -16.2622 -16.1577 -16.1577 -16.0845 -16.0845 -16.0748 -16.0748 -8.1081 -8.1081 -7.9990 -7.9990 -7.9105 -7.9105 -6.8410 -6.8410 -4.8268 -4.8268 -4.8153 -4.8153 -4.2401 -4.2401 -3.8868 -3.8868 -3.6429 -3.6429 -3.3219 -3.3219 -3.1323 -3.1323 -3.0260 -3.0260 -2.6644 -2.6644 -2.6335 -2.6335 -2.5837 -2.5837 -2.2447 -2.2447 -1.8817 -1.8817 -1.6488 -1.6488 -1.6417 -1.6417 -1.5784 -1.5784 -1.5403 -1.5403 -1.5297 -1.5297 -1.3363 -1.3363 -1.3162 -1.3162 -0.2283 -0.2283 -0.1719 -0.1719 -0.0783 -0.0783 4.2319 4.2319 4.2869 4.2869 5.8550 5.8550 5.8744 5.8744 6.0881 6.0881 6.2059 6.2059 6.2722 6.2722 k = 0.2414 0.1394 0.5646 ( 16656 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4359 -16.4359 -16.2750 -16.2750 -16.2656 -16.2656 -16.1540 -16.1540 -16.0860 -16.0860 -16.0754 -16.0754 -8.1279 -8.1279 -7.9961 -7.9961 -7.9121 -7.9121 -6.8024 -6.8024 -4.8242 -4.8242 -4.8096 -4.8096 -4.2460 -4.2460 -3.9369 -3.9369 -3.6648 -3.6648 -3.3240 -3.3240 -3.1118 -3.1118 -3.0201 -3.0201 -2.6645 -2.6645 -2.6324 -2.6324 -2.5850 -2.5850 -2.2222 -2.2222 -1.8643 -1.8643 -1.6581 -1.6581 -1.6446 -1.6446 -1.5808 -1.5808 -1.5459 -1.5459 -1.5410 -1.5410 -1.3245 -1.3245 -1.3053 -1.3053 -0.2289 -0.2289 -0.1674 -0.1674 -0.0724 -0.0724 4.2197 4.2197 4.2813 4.2813 5.8516 5.8516 5.8681 5.8681 6.0966 6.0966 6.2105 6.2105 6.2422 6.2422 k = 0.2586 0.1493 0.5646 ( 16650 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4310 -16.4310 -16.2777 -16.2777 -16.2693 -16.2693 -16.1504 -16.1504 -16.0876 -16.0876 -16.0760 -16.0760 -8.1470 -8.1470 -7.9931 -7.9931 -7.9139 -7.9139 -6.7640 -6.7640 -4.8217 -4.8217 -4.8032 -4.8032 -4.2516 -4.2516 -3.9872 -3.9872 -3.6864 -3.6864 -3.3263 -3.3263 -3.0914 -3.0914 -3.0136 -3.0136 -2.6645 -2.6645 -2.6312 -2.6312 -2.5884 -2.5884 -2.1991 -2.1991 -1.8467 -1.8467 -1.6681 -1.6681 -1.6469 -1.6469 -1.5849 -1.5849 -1.5588 -1.5588 -1.5438 -1.5438 -1.3124 -1.3124 -1.2946 -1.2946 -0.2297 -0.2297 -0.1629 -0.1629 -0.0663 -0.0663 4.2073 4.2073 4.2757 4.2757 5.8459 5.8459 5.8637 5.8637 6.1057 6.1057 6.1899 6.1899 6.2378 6.2378 k = 0.2759 0.1593 0.5646 ( 16646 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4259 -16.4259 -16.2803 -16.2803 -16.2733 -16.2733 -16.1468 -16.1468 -16.0891 -16.0891 -16.0768 -16.0768 -8.1651 -8.1651 -7.9900 -7.9900 -7.9157 -7.9157 -6.7261 -6.7261 -4.8191 -4.8191 -4.7961 -4.7961 -4.2569 -4.2569 -4.0374 -4.0374 -3.7075 -3.7075 -3.3285 -3.3285 -3.0713 -3.0713 -3.0067 -3.0067 -2.6646 -2.6646 -2.6301 -2.6301 -2.5938 -2.5938 -2.1757 -2.1757 -1.8290 -1.8290 -1.6783 -1.6783 -1.6485 -1.6485 -1.5940 -1.5940 -1.5674 -1.5674 -1.5464 -1.5464 -1.3001 -1.3001 -1.2843 -1.2843 -0.2309 -0.2309 -0.1585 -0.1585 -0.0606 -0.0606 4.1954 4.1954 4.2700 4.2700 5.8391 5.8391 5.8603 5.8603 6.1154 6.1154 6.1578 6.1578 6.2455 6.2455 k = 0.2931 0.1692 0.5646 ( 16642 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4206 -16.4206 -16.2828 -16.2828 -16.2775 -16.2775 -16.1432 -16.1432 -16.0905 -16.0905 -16.0777 -16.0777 -8.1822 -8.1822 -7.9869 -7.9869 -7.9176 -7.9176 -6.6891 -6.6891 -4.8165 -4.8165 -4.7881 -4.7881 -4.2617 -4.2617 -4.0872 -4.0872 -3.7280 -3.7280 -3.3307 -3.3307 -3.0517 -3.0517 -2.9994 -2.9994 -2.6647 -2.6647 -2.6289 -2.6289 -2.6010 -2.6010 -2.1520 -2.1520 -1.8114 -1.8114 -1.6886 -1.6886 -1.6496 -1.6496 -1.6085 -1.6085 -1.5707 -1.5707 -1.5492 -1.5492 -1.2881 -1.2881 -1.2741 -1.2741 -0.2321 -0.2321 -0.1543 -0.1543 -0.0552 -0.0552 4.1837 4.1837 4.2645 4.2645 5.8321 5.8321 5.8569 5.8569 6.1234 6.1234 6.1278 6.1278 6.2541 6.2541 k = 0.3103 0.1792 0.5646 ( 16642 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4151 -16.4151 -16.2851 -16.2851 -16.2820 -16.2820 -16.1397 -16.1397 -16.0919 -16.0919 -16.0787 -16.0787 -8.1982 -8.1982 -7.9836 -7.9836 -7.9197 -7.9197 -6.6533 -6.6533 -4.8141 -4.8141 -4.7793 -4.7793 -4.2661 -4.2661 -4.1364 -4.1364 -3.7476 -3.7476 -3.3328 -3.3328 -3.0327 -3.0327 -2.9915 -2.9915 -2.6649 -2.6649 -2.6278 -2.6278 -2.6097 -2.6097 -2.1284 -2.1284 -1.7941 -1.7941 -1.6986 -1.6986 -1.6501 -1.6501 -1.6256 -1.6256 -1.5715 -1.5715 -1.5523 -1.5523 -1.2769 -1.2769 -1.2640 -1.2640 -0.2336 -0.2336 -0.1502 -0.1502 -0.0502 -0.0502 4.1725 4.1725 4.2592 4.2592 5.8253 5.8253 5.8531 5.8531 6.0942 6.0942 6.1368 6.1368 6.2623 6.2623 k = 0.3276 0.1891 0.5646 ( 16652 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4094 -16.4094 -16.2873 -16.2873 -16.2867 -16.2867 -16.1363 -16.1363 -16.0933 -16.0933 -16.0797 -16.0797 -8.2130 -8.2130 -7.9804 -7.9804 -7.9218 -7.9218 -6.6190 -6.6190 -4.8117 -4.8117 -4.7693 -4.7693 -4.2702 -4.2702 -4.1847 -4.1847 -3.7663 -3.7663 -3.3348 -3.3348 -3.0145 -3.0145 -2.9833 -2.9833 -2.6652 -2.6652 -2.6268 -2.6268 -2.6194 -2.6194 -2.1051 -2.1051 -1.7772 -1.7772 -1.7082 -1.7082 -1.6506 -1.6506 -1.6433 -1.6433 -1.5712 -1.5712 -1.5556 -1.5556 -1.2670 -1.2670 -1.2537 -1.2537 -0.2353 -0.2353 -0.1466 -0.1466 -0.0457 -0.0457 4.1618 4.1618 4.2540 4.2540 5.8191 5.8191 5.8488 5.8488 6.0649 6.0649 6.1480 6.1480 6.2698 6.2698 k = 0.3448 0.1991 0.5646 ( 16650 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4035 -16.4035 -16.2916 -16.2916 -16.2892 -16.2892 -16.1329 -16.1329 -16.0945 -16.0945 -16.0809 -16.0809 -8.2266 -8.2266 -7.9771 -7.9771 -7.9240 -7.9240 -6.5866 -6.5866 -4.8094 -4.8094 -4.7583 -4.7583 -4.2739 -4.2739 -4.2318 -4.2318 -3.7837 -3.7837 -3.3366 -3.3366 -2.9973 -2.9973 -2.9746 -2.9746 -2.6658 -2.6658 -2.6310 -2.6310 -2.6247 -2.6247 -2.0822 -2.0822 -1.7610 -1.7610 -1.7173 -1.7173 -1.6628 -1.6628 -1.6493 -1.6493 -1.5705 -1.5705 -1.5591 -1.5591 -1.2586 -1.2586 -1.2432 -1.2432 -0.2368 -0.2368 -0.1430 -0.1430 -0.0416 -0.0416 4.1519 4.1519 4.2491 4.2491 5.8136 5.8136 5.8444 5.8444 6.0375 6.0375 6.1596 6.1596 6.2765 6.2765 k = 0.3621 0.2090 0.5646 ( 16626 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3975 -16.3975 -16.2968 -16.2968 -16.2910 -16.2910 -16.1297 -16.1297 -16.0957 -16.0957 -16.0822 -16.0822 -8.2389 -8.2389 -7.9737 -7.9737 -7.9263 -7.9263 -6.5563 -6.5563 -4.8073 -4.8073 -4.7459 -4.7459 -4.2821 -4.2821 -4.2724 -4.2724 -3.7999 -3.7999 -3.3383 -3.3383 -2.9813 -2.9813 -2.9656 -2.9656 -2.6670 -2.6670 -2.6415 -2.6415 -2.6239 -2.6239 -2.0599 -2.0599 -1.7457 -1.7457 -1.7256 -1.7256 -1.6813 -1.6813 -1.6487 -1.6487 -1.5698 -1.5698 -1.5626 -1.5626 -1.2517 -1.2517 -1.2328 -1.2328 -0.2382 -0.2382 -0.1393 -0.1393 -0.0377 -0.0377 4.1435 4.1435 4.2447 4.2447 5.8090 5.8090 5.8398 5.8398 6.0122 6.0122 6.1714 6.1714 6.2824 6.2824 k = 0.3793 0.2190 0.5646 ( 16634 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3914 -16.3914 -16.3021 -16.3021 -16.2926 -16.2926 -16.1266 -16.1266 -16.0968 -16.0968 -16.0835 -16.0835 -8.2498 -8.2498 -7.9704 -7.9704 -7.9287 -7.9287 -6.5286 -6.5286 -4.8054 -4.8054 -4.7322 -4.7322 -4.3233 -4.3233 -4.2783 -4.2783 -3.8147 -3.8147 -3.3398 -3.3398 -2.9667 -2.9667 -2.9563 -2.9563 -2.6700 -2.6700 -2.6508 -2.6508 -2.6229 -2.6229 -2.0384 -2.0384 -1.7347 -1.7347 -1.7298 -1.7298 -1.6997 -1.6997 -1.6477 -1.6477 -1.5700 -1.5700 -1.5652 -1.5652 -1.2459 -1.2459 -1.2229 -1.2229 -0.2398 -0.2398 -0.1364 -0.1364 -0.0344 -0.0344 4.1350 4.1350 4.2404 4.2404 5.8049 5.8049 5.8353 5.8353 5.9892 5.9892 6.1831 6.1831 6.2874 6.2874 k = 0.3966 0.2289 0.5646 ( 16630 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3852 -16.3852 -16.3076 -16.3076 -16.2941 -16.2941 -16.1236 -16.1236 -16.0977 -16.0977 -16.0849 -16.0849 -8.2593 -8.2593 -7.9671 -7.9671 -7.9312 -7.9312 -6.5038 -6.5038 -4.8037 -4.8037 -4.7169 -4.7169 -4.3659 -4.3659 -4.2806 -4.2806 -3.8278 -3.8278 -3.3411 -3.3411 -2.9537 -2.9537 -2.9470 -2.9470 -2.6765 -2.6765 -2.6567 -2.6567 -2.6219 -2.6219 -2.0179 -2.0179 -1.7405 -1.7405 -1.7187 -1.7187 -1.7166 -1.7166 -1.6464 -1.6464 -1.5727 -1.5727 -1.5654 -1.5654 -1.2412 -1.2412 -1.2138 -1.2138 -0.2412 -0.2412 -0.1338 -0.1338 -0.0314 -0.0314 4.1277 4.1277 4.2367 4.2367 5.8016 5.8016 5.8310 5.8310 5.9687 5.9687 6.1943 6.1943 6.2917 6.2917 k = 0.4138 0.2389 0.5646 ( 16630 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3790 -16.3790 -16.3132 -16.3132 -16.2953 -16.2953 -16.1209 -16.1209 -16.0985 -16.0985 -16.0863 -16.0863 -8.2674 -8.2674 -7.9638 -7.9638 -7.9338 -7.9338 -6.4821 -6.4821 -4.8022 -4.8022 -4.7000 -4.7000 -4.4066 -4.4066 -4.2823 -4.2823 -3.8392 -3.8392 -3.3422 -3.3422 -2.9425 -2.9425 -2.9379 -2.9379 -2.6859 -2.6859 -2.6592 -2.6592 -2.6211 -2.6211 -1.9987 -1.9987 -1.7465 -1.7465 -1.7348 -1.7348 -1.7056 -1.7056 -1.6449 -1.6449 -1.5767 -1.5767 -1.5644 -1.5644 -1.2374 -1.2374 -1.2058 -1.2058 -0.2424 -0.2424 -0.1315 -0.1315 -0.0290 -0.0290 4.1213 4.1213 4.2335 4.2335 5.7991 5.7991 5.8271 5.8271 5.9507 5.9507 6.2049 6.2049 6.2952 6.2952 k = 0.4310 0.2489 0.5646 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3728 -16.3728 -16.3189 -16.3189 -16.2963 -16.2963 -16.1184 -16.1184 -16.0992 -16.0992 -16.0877 -16.0877 -8.2741 -8.2741 -7.9605 -7.9605 -7.9364 -7.9364 -6.4639 -6.4639 -4.8010 -4.8010 -4.6814 -4.6814 -4.4453 -4.4453 -4.2837 -4.2837 -3.8487 -3.8487 -3.3431 -3.3431 -2.9331 -2.9331 -2.9294 -2.9294 -2.6958 -2.6958 -2.6602 -2.6602 -2.6204 -2.6204 -1.9811 -1.9811 -1.7542 -1.7542 -1.7480 -1.7480 -1.6954 -1.6954 -1.6433 -1.6433 -1.5808 -1.5808 -1.5634 -1.5634 -1.2343 -1.2343 -1.1991 -1.1991 -0.2436 -0.2436 -0.1297 -0.1297 -0.0272 -0.0272 4.1162 4.1162 4.2308 4.2308 5.7972 5.7972 5.8237 5.8237 5.9355 5.9355 6.2144 6.2144 6.2980 6.2980 k = 0.4483 0.2588 0.5646 ( 16638 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3667 -16.3667 -16.3246 -16.3246 -16.2970 -16.2970 -16.1163 -16.1163 -16.0997 -16.0997 -16.0890 -16.0890 -8.2793 -8.2793 -7.9573 -7.9573 -7.9392 -7.9392 -6.4494 -6.4494 -4.8000 -4.8000 -4.6610 -4.6610 -4.4815 -4.4815 -4.2846 -4.2846 -3.8562 -3.8562 -3.3439 -3.3439 -2.9253 -2.9253 -2.9224 -2.9224 -2.7048 -2.7048 -2.6607 -2.6607 -2.6198 -2.6198 -1.9656 -1.9656 -1.7671 -1.7671 -1.7533 -1.7533 -1.6870 -1.6870 -1.6416 -1.6416 -1.5847 -1.5847 -1.5624 -1.5624 -1.2321 -1.2321 -1.1937 -1.1937 -0.2447 -0.2447 -0.1282 -0.1282 -0.0258 -0.0258 4.1121 4.1121 4.2286 4.2286 5.7960 5.7960 5.8210 5.8210 5.9233 5.9233 6.2223 6.2223 6.3001 6.3001 k = 0.4655 0.2688 0.5646 ( 16640 PWs) bands (ev): -91.3597 -91.3597 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3610 -16.3610 -16.3300 -16.3300 -16.2976 -16.2976 -16.1146 -16.1146 -16.1001 -16.1001 -16.0900 -16.0900 -8.2831 -8.2831 -7.9541 -7.9541 -7.9420 -7.9420 -6.4389 -6.4389 -4.7993 -4.7993 -4.6392 -4.6392 -4.5149 -4.5149 -4.2854 -4.2854 -3.8617 -3.8617 -3.3444 -3.3444 -2.9192 -2.9192 -2.9172 -2.9172 -2.7119 -2.7119 -2.6610 -2.6610 -2.6195 -2.6195 -1.9532 -1.9532 -1.7786 -1.7786 -1.7562 -1.7562 -1.6808 -1.6808 -1.6400 -1.6400 -1.5880 -1.5880 -1.5617 -1.5617 -1.2305 -1.2305 -1.1898 -1.1898 -0.2452 -0.2452 -0.1273 -0.1273 -0.0246 -0.0246 4.1089 4.1089 4.2270 4.2270 5.7952 5.7952 5.8191 5.8191 5.9144 5.9144 6.2284 6.2284 6.3015 6.3015 k = 0.4828 0.2787 0.5646 ( 16644 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3562 -16.3562 -16.3347 -16.3347 -16.2979 -16.2979 -16.1135 -16.1135 -16.1003 -16.1003 -16.0908 -16.0908 -8.2853 -8.2853 -7.9510 -7.9510 -7.9449 -7.9449 -6.4326 -6.4326 -4.7988 -4.7988 -4.6173 -4.6173 -4.5438 -4.5438 -4.2858 -4.2858 -3.8650 -3.8650 -3.3447 -3.3447 -2.9152 -2.9152 -2.9142 -2.9142 -2.7165 -2.7165 -2.6611 -2.6611 -2.6192 -2.6192 -1.9449 -1.9449 -1.7864 -1.7864 -1.7579 -1.7579 -1.6770 -1.6770 -1.6388 -1.6388 -1.5903 -1.5903 -1.5612 -1.5612 -1.2296 -1.2296 -1.1874 -1.1874 -0.2457 -0.2457 -0.1268 -0.1268 -0.0239 -0.0239 4.1069 4.1069 4.2262 4.2262 5.7947 5.7947 5.8179 5.8179 5.9089 5.9089 6.2322 6.2322 6.3024 6.3024 k = 0.5000 0.2887 0.5646 ( 16656 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3540 -16.3540 -16.3368 -16.3368 -16.2980 -16.2980 -16.1131 -16.1131 -16.1004 -16.1004 -16.0910 -16.0910 -8.2861 -8.2861 -7.9483 -7.9483 -7.9475 -7.9475 -6.4304 -6.4304 -4.7987 -4.7987 -4.6044 -4.6044 -4.5590 -4.5590 -4.2860 -4.2860 -3.8661 -3.8661 -3.3448 -3.3448 -2.9135 -2.9135 -2.9135 -2.9135 -2.7182 -2.7182 -2.6611 -2.6611 -2.6191 -2.6191 -1.9419 -1.9419 -1.7892 -1.7892 -1.7585 -1.7585 -1.6757 -1.6757 -1.6383 -1.6383 -1.5911 -1.5911 -1.5610 -1.5610 -1.2293 -1.2293 -1.1866 -1.1866 -0.2460 -0.2460 -0.1268 -0.1268 -0.0240 -0.0240 4.1062 4.1062 4.2259 4.2259 5.7945 5.7945 5.8175 5.8175 5.9070 5.9070 6.2334 6.2334 6.3027 6.3027 k = 0.5000 0.2887 0.5646 ( 16656 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3540 -16.3540 -16.3368 -16.3368 -16.2980 -16.2980 -16.1131 -16.1131 -16.1004 -16.1004 -16.0910 -16.0910 -8.2861 -8.2861 -7.9483 -7.9483 -7.9475 -7.9475 -6.4304 -6.4304 -4.7987 -4.7987 -4.6044 -4.6044 -4.5590 -4.5590 -4.2860 -4.2860 -3.8661 -3.8661 -3.3448 -3.3448 -2.9135 -2.9135 -2.9135 -2.9135 -2.7182 -2.7182 -2.6611 -2.6611 -2.6191 -2.6191 -1.9419 -1.9419 -1.7892 -1.7892 -1.7585 -1.7585 -1.6757 -1.6757 -1.6383 -1.6383 -1.5911 -1.5911 -1.5610 -1.5610 -1.2293 -1.2293 -1.1866 -1.1866 -0.2460 -0.2460 -0.1268 -0.1268 -0.0240 -0.0240 4.1062 4.1062 4.2259 4.2259 5.7945 5.7945 5.8175 5.8175 5.9070 5.9070 6.2334 6.2334 6.3027 6.3027 k = 0.4902 0.3057 0.5646 ( 16656 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3539 -16.3539 -16.3368 -16.3368 -16.2981 -16.2981 -16.1138 -16.1138 -16.0998 -16.0998 -16.0910 -16.0910 -8.2864 -8.2864 -7.9483 -7.9483 -7.9473 -7.9473 -6.4299 -6.4299 -4.7984 -4.7984 -4.6049 -4.6049 -4.5598 -4.5598 -4.2849 -4.2849 -3.8671 -3.8671 -3.3437 -3.3437 -2.9268 -2.9268 -2.9006 -2.9006 -2.7186 -2.7186 -2.6633 -2.6633 -2.6194 -2.6194 -1.9394 -1.9394 -1.7890 -1.7890 -1.7575 -1.7575 -1.6758 -1.6758 -1.6381 -1.6381 -1.5910 -1.5910 -1.5609 -1.5609 -1.2301 -1.2301 -1.1875 -1.1875 -0.2454 -0.2454 -0.1268 -0.1268 -0.0241 -0.0241 4.1063 4.1063 4.2252 4.2252 5.7944 5.7944 5.8173 5.8173 5.9067 5.9067 6.2338 6.2338 6.3025 6.3025 k = 0.4804 0.3226 0.5646 ( 16636 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3536 -16.3536 -16.3367 -16.3367 -16.2982 -16.2982 -16.1156 -16.1156 -16.0983 -16.0983 -16.0909 -16.0909 -8.2873 -8.2873 -7.9482 -7.9482 -7.9469 -7.9469 -6.4282 -6.4282 -4.7976 -4.7976 -4.6060 -4.6060 -4.5621 -4.5621 -4.2816 -4.2816 -3.8700 -3.8700 -3.3402 -3.3402 -2.9404 -2.9404 -2.8881 -2.8881 -2.7200 -2.7200 -2.6693 -2.6693 -2.6201 -2.6201 -1.9320 -1.9320 -1.7884 -1.7884 -1.7546 -1.7546 -1.6761 -1.6761 -1.6373 -1.6373 -1.5904 -1.5904 -1.5604 -1.5604 -1.2326 -1.2326 -1.1900 -1.1900 -0.2438 -0.2438 -0.1271 -0.1271 -0.0243 -0.0243 4.1071 4.1071 4.2242 4.2242 5.7941 5.7941 5.8168 5.8168 5.9055 5.9055 6.2349 6.2349 6.3017 6.3017 k = 0.4706 0.3396 0.5646 ( 16624 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3531 -16.3531 -16.3365 -16.3365 -16.2985 -16.2985 -16.1180 -16.1180 -16.0965 -16.0965 -16.0908 -16.0908 -8.2889 -8.2889 -7.9481 -7.9481 -7.9463 -7.9463 -6.4254 -6.4254 -4.7963 -4.7963 -4.6078 -4.6078 -4.5658 -4.5658 -4.2764 -4.2764 -3.8749 -3.8749 -3.3347 -3.3347 -2.9543 -2.9543 -2.8761 -2.8761 -2.7225 -2.7225 -2.6783 -2.6783 -2.6216 -2.6216 -1.9205 -1.9205 -1.7873 -1.7873 -1.7496 -1.7496 -1.6766 -1.6766 -1.6359 -1.6359 -1.5895 -1.5895 -1.5597 -1.5597 -1.2366 -1.2366 -1.1941 -1.1941 -0.2414 -0.2414 -0.1279 -0.1279 -0.0246 -0.0246 4.1079 4.1079 4.2225 4.2225 5.7933 5.7933 5.8160 5.8160 5.9036 5.9036 6.2367 6.2367 6.3005 6.3005 k = 0.4608 0.3566 0.5646 ( 16630 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3524 -16.3524 -16.3363 -16.3363 -16.2989 -16.2989 -16.1207 -16.1207 -16.0945 -16.0945 -16.0906 -16.0906 -8.2910 -8.2910 -7.9479 -7.9479 -7.9454 -7.9454 -6.4217 -6.4217 -4.7943 -4.7943 -4.6106 -4.6106 -4.5708 -4.5708 -4.2694 -4.2694 -3.8816 -3.8816 -3.3271 -3.3271 -2.9685 -2.9685 -2.8645 -2.8645 -2.7268 -2.7268 -2.6889 -2.6889 -2.6238 -2.6238 -1.9059 -1.9059 -1.7858 -1.7858 -1.7421 -1.7421 -1.6775 -1.6775 -1.6339 -1.6339 -1.5883 -1.5883 -1.5587 -1.5587 -1.2422 -1.2422 -1.1999 -1.1999 -0.2386 -0.2386 -0.1291 -0.1291 -0.0253 -0.0253 4.1088 4.1088 4.2196 4.2196 5.7924 5.7924 5.8149 5.8149 5.9008 5.9008 6.2393 6.2393 6.2989 6.2989 k = 0.4510 0.3736 0.5646 ( 16620 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3515 -16.3515 -16.3360 -16.3360 -16.2994 -16.2994 -16.1235 -16.1235 -16.0926 -16.0926 -16.0904 -16.0904 -8.2936 -8.2936 -7.9476 -7.9476 -7.9444 -7.9444 -6.4170 -6.4170 -4.7918 -4.7918 -4.6139 -4.6139 -4.5769 -4.5769 -4.2606 -4.2606 -3.8902 -3.8902 -3.3177 -3.3177 -2.9828 -2.9828 -2.8534 -2.8534 -2.7338 -2.7338 -2.6993 -2.6993 -2.6267 -2.6267 -1.8897 -1.8897 -1.7840 -1.7840 -1.7315 -1.7315 -1.6786 -1.6786 -1.6312 -1.6312 -1.5867 -1.5867 -1.5576 -1.5576 -1.2493 -1.2493 -1.2072 -1.2072 -0.2350 -0.2350 -0.1304 -0.1304 -0.0259 -0.0259 4.1103 4.1103 4.2161 4.2161 5.7913 5.7913 5.8138 5.8138 5.8971 5.8971 6.2429 6.2429 6.2970 6.2970 k = 0.4412 0.3906 0.5646 ( 16620 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3505 -16.3505 -16.3357 -16.3357 -16.3001 -16.3001 -16.1263 -16.1263 -16.0908 -16.0908 -16.0901 -16.0901 -8.2965 -8.2965 -7.9472 -7.9472 -7.9433 -7.9433 -6.4115 -6.4115 -4.7886 -4.7886 -4.6180 -4.6180 -4.5838 -4.5838 -4.2504 -4.2504 -3.9004 -3.9004 -3.3066 -3.3066 -2.9973 -2.9973 -2.8429 -2.8429 -2.7444 -2.7444 -2.7075 -2.7075 -2.6305 -2.6305 -1.8731 -1.8731 -1.7819 -1.7819 -1.7176 -1.7176 -1.6801 -1.6801 -1.6279 -1.6279 -1.5848 -1.5848 -1.5564 -1.5564 -1.2577 -1.2577 -1.2160 -1.2160 -0.2310 -0.2310 -0.1321 -0.1321 -0.0269 -0.0269 4.1120 4.1120 4.2120 4.2120 5.7900 5.7900 5.8124 5.8124 5.8924 5.8924 6.2475 6.2475 6.2949 6.2949 k = 0.4314 0.4075 0.5646 ( 16616 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3492 -16.3492 -16.3352 -16.3352 -16.3010 -16.3010 -16.1291 -16.1291 -16.0898 -16.0898 -16.0892 -16.0892 -8.2998 -8.2998 -7.9468 -7.9468 -7.9422 -7.9422 -6.4053 -6.4053 -4.7847 -4.7847 -4.6227 -4.6227 -4.5913 -4.5913 -4.2389 -4.2389 -3.9122 -3.9122 -3.2941 -3.2941 -3.0118 -3.0118 -2.8328 -2.8328 -2.7581 -2.7581 -2.7133 -2.7133 -2.6349 -2.6349 -1.8575 -1.8575 -1.7795 -1.7795 -1.7001 -1.7001 -1.6818 -1.6818 -1.6240 -1.6240 -1.5824 -1.5824 -1.5552 -1.5552 -1.2674 -1.2674 -1.2262 -1.2262 -0.2263 -0.2263 -0.1341 -0.1341 -0.0281 -0.0281 4.1140 4.1140 4.2074 4.2074 5.7887 5.7887 5.8111 5.8111 5.8868 5.8868 6.2535 6.2535 6.2926 6.2926 k = 0.4216 0.4245 0.5646 ( 16628 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3477 -16.3477 -16.3347 -16.3347 -16.3021 -16.3021 -16.1317 -16.1317 -16.0895 -16.0895 -16.0878 -16.0878 -8.3032 -8.3032 -7.9464 -7.9464 -7.9411 -7.9411 -6.3987 -6.3987 -4.7800 -4.7800 -4.6281 -4.6281 -4.5995 -4.5995 -4.2265 -4.2265 -3.9254 -3.9254 -3.2803 -3.2803 -3.0263 -3.0263 -2.8234 -2.8234 -2.7731 -2.7731 -2.7177 -2.7177 -2.6401 -2.6401 -1.8434 -1.8434 -1.7769 -1.7769 -1.6851 -1.6851 -1.6777 -1.6777 -1.6196 -1.6196 -1.5794 -1.5794 -1.5541 -1.5541 -1.2783 -1.2783 -1.2378 -1.2378 -0.2215 -0.2215 -0.1363 -0.1363 -0.0293 -0.0293 4.1160 4.1160 4.2020 4.2020 5.7874 5.7874 5.8098 5.8098 5.8803 5.8803 6.2606 6.2606 6.2903 6.2903 k = 0.4118 0.4415 0.5646 ( 16626 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3461 -16.3461 -16.3341 -16.3341 -16.3034 -16.3034 -16.1342 -16.1342 -16.0891 -16.0891 -16.0865 -16.0865 -8.3067 -8.3067 -7.9458 -7.9458 -7.9400 -7.9400 -6.3917 -6.3917 -4.7745 -4.7745 -4.6339 -4.6339 -4.6079 -4.6079 -4.2130 -4.2130 -3.9400 -3.9400 -3.2657 -3.2657 -3.0407 -3.0407 -2.8151 -2.8151 -2.7877 -2.7877 -2.7211 -2.7211 -2.6457 -2.6457 -1.8313 -1.8313 -1.7742 -1.7742 -1.6869 -1.6869 -1.6548 -1.6548 -1.6147 -1.6147 -1.5753 -1.5753 -1.5530 -1.5530 -1.2901 -1.2901 -1.2505 -1.2505 -0.2166 -0.2166 -0.1385 -0.1385 -0.0305 -0.0305 4.1186 4.1186 4.1964 4.1964 5.7864 5.7864 5.8086 5.8086 5.8731 5.8731 6.2687 6.2687 6.2884 6.2884 k = 0.4020 0.4585 0.5646 ( 16610 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3443 -16.3443 -16.3335 -16.3335 -16.3051 -16.3051 -16.1365 -16.1365 -16.0886 -16.0886 -16.0855 -16.0855 -8.3101 -8.3101 -7.9452 -7.9452 -7.9391 -7.9391 -6.3845 -6.3845 -4.7681 -4.7681 -4.6402 -4.6402 -4.6166 -4.6166 -4.1987 -4.1987 -3.9557 -3.9557 -3.2504 -3.2504 -3.0550 -3.0550 -2.8117 -2.8117 -2.7971 -2.7971 -2.7241 -2.7241 -2.6519 -2.6519 -1.8208 -1.8208 -1.7715 -1.7715 -1.6894 -1.6894 -1.6309 -1.6309 -1.6095 -1.6095 -1.5689 -1.5689 -1.5522 -1.5522 -1.3027 -1.3027 -1.2642 -1.2642 -0.2113 -0.2113 -0.1406 -0.1406 -0.0315 -0.0315 4.1216 4.1216 4.1909 4.1909 5.7856 5.7856 5.8077 5.8077 5.8653 5.8653 6.2767 6.2767 6.2882 6.2882 k = 0.3922 0.4755 0.5646 ( 16594 PWs) bands (ev): -91.3593 -91.3593 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3423 -16.3423 -16.3327 -16.3327 -16.3071 -16.3071 -16.1385 -16.1385 -16.0882 -16.0882 -16.0848 -16.0848 -8.3134 -8.3134 -7.9446 -7.9446 -7.9383 -7.9383 -6.3775 -6.3775 -4.7607 -4.7607 -4.6470 -4.6470 -4.6255 -4.6255 -4.1836 -4.1836 -3.9724 -3.9724 -3.2346 -3.2346 -3.0689 -3.0689 -2.8205 -2.8205 -2.7933 -2.7933 -2.7267 -2.7267 -2.6583 -2.6583 -1.8117 -1.8117 -1.7689 -1.7689 -1.6921 -1.6921 -1.6108 -1.6108 -1.6040 -1.6040 -1.5577 -1.5577 -1.5512 -1.5512 -1.3160 -1.3160 -1.2788 -1.2788 -0.2063 -0.2063 -0.1425 -0.1425 -0.0325 -0.0325 4.1250 4.1250 4.1849 4.1849 5.7852 5.7852 5.8070 5.8070 5.8572 5.8572 6.2797 6.2797 6.2945 6.2945 k = 0.3824 0.4924 0.5646 ( 16600 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3402 -16.3402 -16.3318 -16.3318 -16.3095 -16.3095 -16.1403 -16.1403 -16.0877 -16.0877 -16.0842 -16.0842 -8.3164 -8.3164 -7.9439 -7.9439 -7.9378 -7.9378 -6.3708 -6.3708 -4.7523 -4.7523 -4.6541 -4.6541 -4.6345 -4.6345 -4.1681 -4.1681 -3.9899 -3.9899 -3.2188 -3.2188 -3.0826 -3.0826 -2.8317 -2.8317 -2.7860 -2.7860 -2.7291 -2.7291 -2.6649 -2.6649 -1.8037 -1.8037 -1.7667 -1.7667 -1.6949 -1.6949 -1.6002 -1.6002 -1.5962 -1.5962 -1.5523 -1.5523 -1.5366 -1.5366 -1.3298 -1.3298 -1.2941 -1.2941 -0.2019 -0.2019 -0.1447 -0.1447 -0.0335 -0.0335 4.1282 4.1282 4.1786 4.1786 5.7851 5.7851 5.8064 5.8064 5.8490 5.8490 6.2790 6.2790 6.3061 6.3061 k = 0.3725 0.5094 0.5646 ( 16604 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3379 -16.3379 -16.3308 -16.3308 -16.3122 -16.3122 -16.1417 -16.1417 -16.0871 -16.0871 -16.0839 -16.0839 -8.3191 -8.3191 -7.9431 -7.9431 -7.9375 -7.9375 -6.3648 -6.3648 -4.7427 -4.7427 -4.6615 -4.6615 -4.6434 -4.6434 -4.1521 -4.1521 -4.0080 -4.0080 -3.2031 -3.2031 -3.0959 -3.0959 -2.8416 -2.8416 -2.7784 -2.7784 -2.7316 -2.7316 -2.6713 -2.6713 -1.7965 -1.7965 -1.7651 -1.7651 -1.6976 -1.6976 -1.5949 -1.5949 -1.5895 -1.5895 -1.5524 -1.5524 -1.5106 -1.5106 -1.3437 -1.3437 -1.3098 -1.3098 -0.1979 -0.1979 -0.1465 -0.1465 -0.0344 -0.0344 4.1318 4.1318 4.1721 4.1721 5.7857 5.7857 5.8058 5.8058 5.8412 5.8412 6.2777 6.2777 6.3198 6.3198 k = 0.3627 0.5264 0.5646 ( 16616 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3355 -16.3355 -16.3297 -16.3297 -16.3153 -16.3153 -16.1428 -16.1428 -16.0866 -16.0866 -16.0838 -16.0838 -8.3213 -8.3213 -7.9423 -7.9423 -7.9375 -7.9375 -6.3596 -6.3596 -4.7319 -4.7319 -4.6689 -4.6689 -4.6524 -4.6524 -4.1357 -4.1357 -4.0264 -4.0264 -3.1880 -3.1880 -3.1087 -3.1087 -2.8496 -2.8496 -2.7709 -2.7709 -2.7343 -2.7343 -2.6771 -2.6771 -1.7898 -1.7898 -1.7643 -1.7643 -1.7000 -1.7000 -1.5904 -1.5904 -1.5855 -1.5855 -1.5531 -1.5531 -1.4822 -1.4822 -1.3573 -1.3573 -1.3257 -1.3257 -0.1948 -0.1948 -0.1481 -0.1481 -0.0352 -0.0352 4.1354 4.1354 4.1658 4.1658 5.7869 5.7869 5.8050 5.8050 5.8340 5.8340 6.2766 6.2766 6.3348 6.3348 k = 0.3529 0.5434 0.5646 ( 16594 PWs) bands (ev): -91.3593 -91.3593 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3329 -16.3329 -16.3286 -16.3286 -16.3187 -16.3187 -16.1436 -16.1436 -16.0860 -16.0860 -16.0839 -16.0839 -8.3230 -8.3230 -7.9414 -7.9414 -7.9378 -7.9378 -6.3556 -6.3556 -4.7202 -4.7202 -4.6759 -4.6759 -4.6613 -4.6613 -4.1189 -4.1189 -4.0447 -4.0447 -3.1740 -3.1740 -3.1207 -3.1207 -2.8554 -2.8554 -2.7637 -2.7637 -2.7378 -2.7378 -2.6818 -2.6818 -1.7836 -1.7836 -1.7649 -1.7649 -1.7019 -1.7019 -1.5871 -1.5871 -1.5826 -1.5826 -1.5541 -1.5541 -1.4542 -1.4542 -1.3699 -1.3699 -1.3414 -1.3414 -0.1922 -0.1922 -0.1489 -0.1489 -0.0357 -0.0357 4.1399 4.1399 4.1603 4.1603 5.7889 5.7889 5.8036 5.8036 5.8284 5.8284 6.2757 6.2757 6.3510 6.3510 k = 0.3431 0.5604 0.5646 ( 16594 PWs) bands (ev): -91.3593 -91.3593 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3302 -16.3302 -16.3274 -16.3274 -16.3224 -16.3224 -16.1441 -16.1441 -16.0854 -16.0854 -16.0842 -16.0842 -8.3241 -8.3241 -7.9404 -7.9404 -7.9384 -7.9384 -6.3530 -6.3530 -4.7085 -4.7085 -4.6815 -4.6815 -4.6700 -4.6700 -4.1023 -4.1023 -4.0623 -4.0623 -3.1621 -3.1621 -3.1313 -3.1313 -2.8589 -2.8589 -2.7568 -2.7568 -2.7423 -2.7423 -2.6848 -2.6848 -1.7778 -1.7778 -1.7670 -1.7670 -1.7031 -1.7031 -1.5851 -1.5851 -1.5806 -1.5806 -1.5551 -1.5551 -1.4306 -1.4306 -1.3786 -1.3786 -1.3564 -1.3564 -0.1910 -0.1910 -0.1494 -0.1494 -0.0361 -0.0361 4.1445 4.1445 4.1547 4.1547 5.7917 5.7917 5.8011 5.8011 5.8249 5.8249 6.2752 6.2752 6.3682 6.3682 k = 0.3333 0.5774 0.5646 ( 16590 PWs) bands (ev): -91.3593 -91.3593 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3274 -16.3274 -16.3274 -16.3274 -16.3252 -16.3252 -16.1442 -16.1442 -16.0849 -16.0849 -16.0847 -16.0847 -8.3245 -8.3245 -7.9396 -7.9396 -7.9391 -7.9391 -6.3520 -6.3520 -4.7027 -4.7027 -4.6814 -4.6814 -4.6769 -4.6769 -4.0911 -4.0911 -4.0740 -4.0740 -3.1563 -3.1563 -3.1366 -3.1366 -2.8600 -2.8600 -2.7521 -2.7521 -2.7462 -2.7462 -2.6858 -2.6858 -1.7739 -1.7739 -1.7697 -1.7697 -1.7035 -1.7035 -1.5844 -1.5844 -1.5798 -1.5798 -1.5555 -1.5555 -1.4210 -1.4210 -1.3778 -1.3778 -1.3669 -1.3669 -0.1906 -0.1906 -0.1495 -0.1495 -0.0360 -0.0360 4.1493 4.1493 4.1495 4.1495 5.7939 5.7939 5.7988 5.7988 5.8239 5.8239 6.2750 6.2750 6.3837 6.3837 k = 0.3333 0.5774 0.5646 ( 16590 PWs) bands (ev): -91.3593 -91.3593 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3274 -16.3274 -16.3274 -16.3274 -16.3252 -16.3252 -16.1442 -16.1442 -16.0849 -16.0849 -16.0847 -16.0847 -8.3245 -8.3245 -7.9396 -7.9396 -7.9391 -7.9391 -6.3520 -6.3520 -4.7027 -4.7027 -4.6814 -4.6814 -4.6769 -4.6769 -4.0911 -4.0911 -4.0740 -4.0740 -3.1563 -3.1563 -3.1366 -3.1366 -2.8600 -2.8600 -2.7521 -2.7521 -2.7462 -2.7462 -2.6858 -2.6858 -1.7739 -1.7739 -1.7697 -1.7697 -1.7035 -1.7035 -1.5844 -1.5844 -1.5798 -1.5798 -1.5555 -1.5555 -1.4210 -1.4210 -1.3778 -1.3778 -1.3669 -1.3669 -0.1906 -0.1906 -0.1495 -0.1495 -0.0360 -0.0360 4.1493 4.1493 4.1495 4.1495 5.7939 5.7939 5.7988 5.7988 5.8239 5.8239 6.2750 6.2750 6.3837 6.3837 k = 0.3232 0.5599 0.5646 ( 16594 PWs) bands (ev): -91.3593 -91.3593 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3316 -16.3316 -16.3244 -16.3244 -16.3240 -16.3240 -16.1441 -16.1441 -16.0855 -16.0855 -16.0841 -16.0841 -8.3240 -8.3240 -7.9406 -7.9406 -7.9382 -7.9382 -6.3531 -6.3531 -4.7067 -4.7067 -4.6882 -4.6882 -4.6650 -4.6650 -4.1026 -4.1026 -4.0619 -4.0619 -3.1616 -3.1616 -3.1319 -3.1319 -2.8588 -2.8588 -2.7575 -2.7575 -2.7415 -2.7415 -2.6848 -2.6848 -1.7790 -1.7790 -1.7659 -1.7659 -1.7031 -1.7031 -1.5853 -1.5853 -1.5805 -1.5805 -1.5549 -1.5549 -1.4269 -1.4269 -1.3872 -1.3872 -1.3514 -1.3514 -0.1909 -0.1909 -0.1495 -0.1495 -0.0360 -0.0360 4.1445 4.1445 4.1546 4.1546 5.7910 5.7910 5.8022 5.8022 5.8248 5.8248 6.2752 6.2752 6.3675 6.3675 k = 0.3131 0.5424 0.5646 ( 16590 PWs) bands (ev): -91.3593 -91.3593 -57.0120 -57.0120 -55.2920 -55.2920 -55.2470 -55.2470 -16.3366 -16.3366 -16.3224 -16.3224 -16.3212 -16.3212 -16.1436 -16.1436 -16.0864 -16.0864 -16.0835 -16.0835 -8.3227 -8.3227 -7.9422 -7.9422 -7.9370 -7.9370 -6.3565 -6.3565 -4.7137 -4.7137 -4.6969 -4.6969 -4.6460 -4.6460 -4.1191 -4.1191 -4.0438 -4.0438 -3.1709 -3.1709 -3.1245 -3.1245 -2.8554 -2.8554 -2.7662 -2.7662 -2.7348 -2.7348 -2.6819 -2.6819 -1.7883 -1.7883 -1.7608 -1.7608 -1.7021 -1.7021 -1.5887 -1.5887 -1.5818 -1.5818 -1.5534 -1.5534 -1.4377 -1.4377 -1.3995 -1.3995 -1.3281 -1.3281 -0.1919 -0.1919 -0.1493 -0.1493 -0.0357 -0.0357 4.1405 4.1405 4.1602 4.1602 5.7865 5.7865 5.8083 5.8083 5.8271 5.8271 6.2756 6.2756 6.3494 6.3494 k = 0.3030 0.5249 0.5646 ( 16574 PWs) bands (ev): -91.3592 -91.3592 -57.0119 -57.0119 -55.2920 -55.2920 -55.2470 -55.2470 -16.3418 -16.3418 -16.3206 -16.3206 -16.3180 -16.3180 -16.1430 -16.1430 -16.0875 -16.0875 -16.0828 -16.0828 -8.3205 -8.3205 -7.9440 -7.9440 -7.9358 -7.9358 -6.3623 -6.3623 -4.7214 -4.7214 -4.7055 -4.7055 -4.6240 -4.6240 -4.1349 -4.1349 -4.0247 -4.0247 -3.1805 -3.1805 -3.1181 -3.1181 -2.8504 -2.8504 -2.7753 -2.7753 -2.7280 -2.7280 -2.6774 -2.6774 -1.8002 -1.8002 -1.7558 -1.7558 -1.7008 -1.7008 -1.5945 -1.5945 -1.5830 -1.5830 -1.5513 -1.5513 -1.4490 -1.4490 -1.4104 -1.4104 -1.3050 -1.3050 -0.1931 -0.1931 -0.1490 -0.1490 -0.0352 -0.0352 4.1376 4.1376 4.1662 4.1662 5.7825 5.7825 5.8155 5.8155 5.8308 5.8308 6.2762 6.2762 6.3319 6.3319 k = 0.2929 0.5074 0.5646 ( 16576 PWs) bands (ev): -91.3592 -91.3592 -57.0119 -57.0119 -55.2920 -55.2920 -55.2470 -55.2470 -16.3474 -16.3474 -16.3186 -16.3186 -16.3147 -16.3147 -16.1422 -16.1422 -16.0886 -16.0886 -16.0821 -16.0821 -8.3172 -8.3172 -7.9462 -7.9462 -7.9345 -7.9345 -6.3709 -6.3709 -4.7292 -4.7292 -4.7140 -4.7140 -4.5996 -4.5996 -4.1497 -4.1497 -4.0052 -4.0052 -3.1897 -3.1897 -3.1133 -3.1133 -2.8448 -2.8448 -2.7838 -2.7838 -2.7213 -2.7213 -2.6719 -2.6719 -1.8146 -1.8146 -1.7510 -1.7510 -1.6995 -1.6995 -1.6019 -1.6019 -1.5844 -1.5844 -1.5492 -1.5492 -1.4598 -1.4598 -1.4198 -1.4198 -1.2836 -1.2836 -0.1948 -0.1948 -0.1491 -0.1491 -0.0346 -0.0346 4.1351 4.1351 4.1720 4.1720 5.7792 5.7792 5.8231 5.8231 5.8363 5.8363 6.2769 6.2769 6.3152 6.3152 k = 0.2828 0.4899 0.5646 ( 16598 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3531 -16.3531 -16.3166 -16.3166 -16.3113 -16.3113 -16.1413 -16.1413 -16.0899 -16.0899 -16.0815 -16.0815 -8.3130 -8.3130 -7.9486 -7.9486 -7.9332 -7.9332 -6.3822 -6.3822 -4.7369 -4.7369 -4.7223 -4.7223 -4.5730 -4.5730 -4.1632 -4.1632 -3.9853 -3.9853 -3.1984 -3.1984 -3.1103 -3.1103 -2.8411 -2.8411 -2.7894 -2.7894 -2.7147 -2.7147 -2.6654 -2.6654 -1.8315 -1.8315 -1.7463 -1.7463 -1.6986 -1.6986 -1.6101 -1.6101 -1.5860 -1.5860 -1.5471 -1.5471 -1.4698 -1.4698 -1.4275 -1.4275 -1.2645 -1.2645 -0.1968 -0.1968 -0.1497 -0.1497 -0.0345 -0.0345 4.1333 4.1333 4.1781 4.1781 5.7768 5.7768 5.8298 5.8298 5.8447 5.8447 6.2776 6.2776 6.2993 6.2993 k = 0.2727 0.4724 0.5646 ( 16610 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3590 -16.3590 -16.3144 -16.3144 -16.3078 -16.3078 -16.1404 -16.1404 -16.0911 -16.0911 -16.0808 -16.0808 -8.3076 -8.3076 -7.9512 -7.9512 -7.9318 -7.9318 -6.3964 -6.3964 -4.7445 -4.7445 -4.7305 -4.7305 -4.5441 -4.5441 -4.1750 -4.1750 -3.9652 -3.9652 -3.2065 -3.2065 -3.1088 -3.1088 -2.8425 -2.8425 -2.7890 -2.7890 -2.7081 -2.7081 -2.6584 -2.6584 -1.8508 -1.8508 -1.7417 -1.7417 -1.6987 -1.6987 -1.6183 -1.6183 -1.5879 -1.5879 -1.5453 -1.5453 -1.4786 -1.4786 -1.4336 -1.4336 -1.2477 -1.2477 -0.1987 -0.1987 -0.1505 -0.1505 -0.0344 -0.0344 4.1326 4.1326 4.1843 4.1843 5.7755 5.7755 5.8352 5.8352 5.8562 5.8562 6.2778 6.2778 6.2843 6.2843 k = 0.2626 0.4549 0.5646 ( 16612 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3651 -16.3651 -16.3121 -16.3121 -16.3043 -16.3043 -16.1395 -16.1395 -16.0924 -16.0924 -16.0802 -16.0802 -8.3011 -8.3011 -7.9541 -7.9541 -7.9303 -7.9303 -6.4135 -6.4135 -4.7519 -4.7519 -4.7384 -4.7384 -4.5132 -4.5132 -4.1848 -4.1848 -3.9447 -3.9447 -3.2140 -3.2140 -3.1086 -3.1086 -2.8497 -2.8497 -2.7822 -2.7822 -2.7017 -2.7017 -2.6509 -2.6509 -1.8723 -1.8723 -1.7372 -1.7372 -1.7002 -1.7002 -1.6261 -1.6261 -1.5899 -1.5899 -1.5437 -1.5437 -1.4862 -1.4862 -1.4383 -1.4383 -1.2337 -1.2337 -0.2006 -0.2006 -0.1515 -0.1515 -0.0342 -0.0342 4.1331 4.1331 4.1910 4.1910 5.7753 5.7753 5.8402 5.8402 5.8704 5.8704 6.2692 6.2692 6.2786 6.2786 k = 0.2525 0.4374 0.5646 ( 16600 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3712 -16.3712 -16.3097 -16.3097 -16.3008 -16.3008 -16.1387 -16.1387 -16.0935 -16.0935 -16.0795 -16.0795 -8.2934 -8.2934 -7.9571 -7.9571 -7.9288 -7.9288 -6.4334 -6.4334 -4.7591 -4.7591 -4.7461 -4.7461 -4.4805 -4.4805 -4.1926 -4.1926 -3.9239 -3.9239 -3.2208 -3.2208 -3.1096 -3.1096 -2.8607 -2.8607 -2.7716 -2.7716 -2.6953 -2.6953 -2.6431 -2.6431 -1.8957 -1.8957 -1.7327 -1.7327 -1.7037 -1.7037 -1.6324 -1.6324 -1.5919 -1.5919 -1.5423 -1.5423 -1.4924 -1.4924 -1.4416 -1.4416 -1.2223 -1.2223 -0.2023 -0.2023 -0.1525 -0.1525 -0.0344 -0.0344 4.1352 4.1352 4.1979 4.1979 5.7764 5.7764 5.8448 5.8448 5.8867 5.8867 6.2556 6.2556 6.2782 6.2782 k = 0.2424 0.4199 0.5646 ( 16612 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3774 -16.3774 -16.3072 -16.3072 -16.2972 -16.2972 -16.1382 -16.1382 -16.0944 -16.0944 -16.0789 -16.0789 -8.2846 -8.2846 -7.9603 -7.9603 -7.9273 -7.9273 -6.4561 -6.4561 -4.7660 -4.7660 -4.7536 -4.7536 -4.4464 -4.4464 -4.1979 -4.1979 -3.9029 -3.9029 -3.2270 -3.2270 -3.1117 -3.1117 -2.8736 -2.8736 -2.7593 -2.7593 -2.6891 -2.6891 -2.6353 -2.6353 -1.9208 -1.9208 -1.7282 -1.7282 -1.7099 -1.7099 -1.6370 -1.6370 -1.5939 -1.5939 -1.5412 -1.5412 -1.4974 -1.4974 -1.4438 -1.4438 -1.2137 -1.2137 -0.2041 -0.2041 -0.1540 -0.1540 -0.0352 -0.0352 4.1378 4.1378 4.2048 4.2048 5.7783 5.7783 5.8493 5.8493 5.9048 5.9048 6.2426 6.2426 6.2773 6.2773 k = 0.2323 0.4024 0.5646 ( 16612 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3836 -16.3836 -16.3046 -16.3046 -16.2936 -16.2936 -16.1380 -16.1380 -16.0951 -16.0951 -16.0783 -16.0783 -8.2746 -8.2746 -7.9637 -7.9637 -7.9257 -7.9257 -6.4814 -6.4814 -4.7726 -4.7726 -4.7608 -4.7608 -4.4115 -4.4115 -4.2003 -4.2003 -3.8816 -3.8816 -3.2326 -3.2326 -3.1146 -3.1146 -2.8875 -2.8875 -2.7465 -2.7465 -2.6831 -2.6831 -2.6274 -2.6274 -1.9474 -1.9474 -1.7239 -1.7239 -1.7183 -1.7183 -1.6396 -1.6396 -1.5958 -1.5958 -1.5402 -1.5402 -1.5009 -1.5009 -1.4451 -1.4451 -1.2079 -1.2079 -0.2057 -0.2057 -0.1556 -0.1556 -0.0363 -0.0363 4.1419 4.1419 4.2119 4.2119 5.7815 5.7815 5.8536 5.8536 5.9248 5.9248 6.2303 6.2303 6.2758 6.2758 k = 0.2222 0.3849 0.5646 ( 16616 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3898 -16.3898 -16.3019 -16.3019 -16.2901 -16.2901 -16.1382 -16.1382 -16.0954 -16.0954 -16.0777 -16.0777 -8.2634 -8.2634 -7.9671 -7.9671 -7.9242 -7.9242 -6.5093 -6.5093 -4.7789 -4.7789 -4.7678 -4.7678 -4.3769 -4.3769 -4.1988 -4.1988 -3.8600 -3.8600 -3.2377 -3.2377 -3.1184 -3.1184 -2.9018 -2.9018 -2.7339 -2.7339 -2.6772 -2.6772 -2.6196 -2.6196 -1.9751 -1.9751 -1.7307 -1.7307 -1.7180 -1.7180 -1.6404 -1.6404 -1.5974 -1.5974 -1.5394 -1.5394 -1.5032 -1.5032 -1.4454 -1.4454 -1.2049 -1.2049 -0.2072 -0.2072 -0.1575 -0.1575 -0.0379 -0.0379 4.1469 4.1469 4.2191 4.2191 5.7856 5.7856 5.8577 5.8577 5.9463 5.9463 6.2188 6.2188 6.2734 6.2734 k = 0.2121 0.3674 0.5646 ( 16622 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3959 -16.3959 -16.2991 -16.2991 -16.2865 -16.2865 -16.1388 -16.1388 -16.0954 -16.0954 -16.0772 -16.0772 -8.2511 -8.2511 -7.9706 -7.9706 -7.9226 -7.9226 -6.5394 -6.5394 -4.7850 -4.7850 -4.7745 -4.7745 -4.3444 -4.3444 -4.1918 -4.1918 -3.8382 -3.8382 -3.2422 -3.2422 -3.1229 -3.1229 -2.9164 -2.9164 -2.7222 -2.7222 -2.6716 -2.6716 -2.6120 -2.6120 -2.0037 -2.0037 -1.7437 -1.7437 -1.7129 -1.7129 -1.6400 -1.6400 -1.5987 -1.5987 -1.5388 -1.5388 -1.5043 -1.5043 -1.4451 -1.4451 -1.2045 -1.2045 -0.2088 -0.2088 -0.1594 -0.1594 -0.0402 -0.0402 4.1530 4.1530 4.2264 4.2264 5.7905 5.7905 5.8614 5.8614 5.9692 5.9692 6.2084 6.2084 6.2702 6.2702 k = 0.2020 0.3499 0.5646 ( 16620 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4020 -16.4020 -16.2962 -16.2962 -16.2830 -16.2830 -16.1399 -16.1399 -16.0950 -16.0950 -16.0767 -16.0767 -8.2376 -8.2376 -7.9741 -7.9741 -7.9210 -7.9210 -6.5715 -6.5715 -4.7907 -4.7907 -4.7810 -4.7810 -4.3164 -4.3164 -4.1772 -4.1772 -3.8161 -3.8161 -3.2463 -3.2463 -3.1281 -3.1281 -2.9309 -2.9309 -2.7115 -2.7115 -2.6663 -2.6663 -2.6046 -2.6046 -2.0329 -2.0329 -1.7584 -1.7584 -1.7074 -1.7074 -1.6388 -1.6388 -1.5994 -1.5994 -1.5383 -1.5383 -1.5042 -1.5042 -1.4441 -1.4441 -1.2066 -1.2066 -0.2102 -0.2102 -0.1614 -0.1614 -0.0427 -0.0427 4.1603 4.1603 4.2337 4.2337 5.7965 5.7965 5.8649 5.8649 5.9932 5.9932 6.1992 6.1992 6.2661 6.2661 k = 0.1919 0.3324 0.5646 ( 16626 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4079 -16.4079 -16.2932 -16.2932 -16.2796 -16.2796 -16.1415 -16.1415 -16.0943 -16.0943 -16.0762 -16.0762 -8.2229 -8.2229 -7.9776 -7.9776 -7.9193 -7.9193 -6.6055 -6.6055 -4.7962 -4.7962 -4.7871 -4.7871 -4.2951 -4.2951 -4.1531 -4.1531 -3.7937 -3.7937 -3.2500 -3.2500 -3.1342 -3.1342 -2.9453 -2.9453 -2.7021 -2.7021 -2.6612 -2.6612 -2.5977 -2.5977 -2.0623 -2.0623 -1.7742 -1.7742 -1.7015 -1.7015 -1.6370 -1.6370 -1.5996 -1.5996 -1.5380 -1.5380 -1.5031 -1.5031 -1.4427 -1.4427 -1.2112 -1.2112 -0.2117 -0.2117 -0.1636 -0.1636 -0.0460 -0.0460 4.1683 4.1683 4.2412 4.2412 5.8031 5.8031 5.8679 5.8679 6.0175 6.0175 6.1919 6.1919 6.2609 6.2609 k = 0.1818 0.3149 0.5646 ( 16626 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.4137 -16.4137 -16.2902 -16.2902 -16.2762 -16.2762 -16.1435 -16.1435 -16.0932 -16.0932 -16.0757 -16.0757 -8.2071 -8.2071 -7.9812 -7.9812 -7.9177 -7.9177 -6.6411 -6.6411 -4.8014 -4.8014 -4.7930 -4.7930 -4.2802 -4.2802 -4.1199 -4.1199 -3.7712 -3.7712 -3.2533 -3.2533 -3.1410 -3.1410 -2.9592 -2.9592 -2.6941 -2.6941 -2.6565 -2.6565 -2.5914 -2.5914 -2.0918 -2.0918 -1.7909 -1.7909 -1.6953 -1.6953 -1.6349 -1.6349 -1.5991 -1.5991 -1.5377 -1.5377 -1.5010 -1.5010 -1.4408 -1.4408 -1.2180 -1.2180 -0.2130 -0.2130 -0.1658 -0.1658 -0.0501 -0.0501 4.1775 4.1775 4.2486 4.2486 5.8104 5.8104 5.8704 5.8704 6.0409 6.0409 6.1877 6.1877 6.2547 6.2547 k = 0.1717 0.2974 0.5646 ( 16642 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4193 -16.4193 -16.2871 -16.2871 -16.2729 -16.2729 -16.1459 -16.1459 -16.0919 -16.0919 -16.0753 -16.0753 -8.1902 -8.1902 -7.9846 -7.9846 -7.9161 -7.9161 -6.6780 -6.6780 -4.8063 -4.8063 -4.7986 -4.7986 -4.2698 -4.2698 -4.0802 -4.0802 -3.7485 -3.7485 -3.2564 -3.2564 -3.1488 -3.1488 -2.9725 -2.9725 -2.6874 -2.6874 -2.6523 -2.6523 -2.5860 -2.5860 -2.1211 -2.1211 -1.8081 -1.8081 -1.6887 -1.6887 -1.6325 -1.6325 -1.5979 -1.5979 -1.5375 -1.5375 -1.4980 -1.4980 -1.4385 -1.4385 -1.2269 -1.2269 -0.2146 -0.2146 -0.1683 -0.1683 -0.0547 -0.0547 4.1871 4.1871 4.2557 4.2557 5.8181 5.8181 5.8724 5.8724 6.0614 6.0614 6.1885 6.1885 6.2475 6.2475 k = 0.1616 0.2799 0.5646 ( 16636 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4248 -16.4248 -16.2839 -16.2839 -16.2696 -16.2696 -16.1486 -16.1486 -16.0905 -16.0905 -16.0749 -16.0749 -8.1724 -8.1724 -7.9881 -7.9881 -7.9146 -7.9146 -6.7160 -6.7160 -4.8109 -4.8109 -4.8039 -4.8039 -4.2616 -4.2616 -4.0361 -4.0361 -3.7256 -3.7256 -3.2593 -3.2593 -3.1574 -3.1574 -2.9849 -2.9849 -2.6820 -2.6820 -2.6485 -2.6485 -2.5816 -2.5816 -2.1500 -2.1500 -1.8257 -1.8257 -1.6819 -1.6819 -1.6301 -1.6301 -1.5959 -1.5959 -1.5373 -1.5373 -1.4943 -1.4943 -1.4360 -1.4360 -1.2375 -1.2375 -0.2159 -0.2159 -0.1706 -0.1706 -0.0597 -0.0597 4.1979 4.1979 4.2631 4.2631 5.8263 5.8263 5.8741 5.8741 6.0762 6.0762 6.1970 6.1970 6.2393 6.2393 k = 0.1515 0.2624 0.5646 ( 16652 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4300 -16.4300 -16.2807 -16.2807 -16.2665 -16.2665 -16.1515 -16.1515 -16.0889 -16.0889 -16.0745 -16.0745 -8.1536 -8.1536 -7.9914 -7.9914 -7.9130 -7.9130 -6.7547 -6.7547 -4.8152 -4.8152 -4.8089 -4.8089 -4.2546 -4.2546 -3.9894 -3.9894 -3.7025 -3.7025 -3.2621 -3.2621 -3.1671 -3.1671 -2.9964 -2.9964 -2.6776 -2.6776 -2.6452 -2.6452 -2.5787 -2.5787 -2.1782 -2.1782 -1.8435 -1.8435 -1.6749 -1.6749 -1.6276 -1.6276 -1.5933 -1.5933 -1.5372 -1.5372 -1.4899 -1.4899 -1.4333 -1.4333 -1.2497 -1.2497 -0.2175 -0.2175 -0.1733 -0.1733 -0.0652 -0.0652 4.2088 4.2088 4.2699 4.2699 5.8344 5.8344 5.8756 5.8756 6.0836 6.0836 6.2146 6.2146 6.2303 6.2303 k = 0.1414 0.2449 0.5646 ( 16656 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4350 -16.4350 -16.2774 -16.2774 -16.2635 -16.2635 -16.1547 -16.1547 -16.0872 -16.0872 -16.0742 -16.0742 -8.1339 -8.1339 -7.9946 -7.9946 -7.9116 -7.9116 -6.7939 -6.7939 -4.8193 -4.8193 -4.8136 -4.8136 -4.2481 -4.2481 -3.9411 -3.9411 -3.6794 -3.6794 -3.2649 -3.2649 -3.1777 -3.1777 -3.0069 -3.0069 -2.6742 -2.6742 -2.6426 -2.6426 -2.5774 -2.5774 -2.2054 -2.2054 -1.8613 -1.8613 -1.6676 -1.6676 -1.6251 -1.6251 -1.5900 -1.5900 -1.5370 -1.5370 -1.4849 -1.4849 -1.4304 -1.4304 -1.2631 -1.2631 -0.2189 -0.2189 -0.1760 -0.1760 -0.0710 -0.0710 4.2200 4.2200 4.2769 4.2769 5.8421 5.8421 5.8774 5.8774 6.0848 6.0848 6.2195 6.2195 6.2411 6.2411 k = 0.1313 0.2274 0.5646 ( 16640 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4397 -16.4397 -16.2741 -16.2741 -16.2606 -16.2606 -16.1580 -16.1580 -16.0855 -16.0855 -16.0739 -16.0739 -8.1135 -8.1135 -7.9977 -7.9977 -7.9101 -7.9101 -6.8332 -6.8332 -4.8230 -4.8230 -4.8180 -4.8180 -4.2417 -4.2417 -3.8920 -3.8920 -3.6562 -3.6562 -3.2678 -3.2678 -3.1891 -3.1891 -3.0162 -3.0162 -2.6716 -2.6716 -2.6405 -2.6405 -2.5777 -2.5777 -2.2315 -2.2315 -1.8788 -1.8788 -1.6603 -1.6603 -1.6227 -1.6227 -1.5860 -1.5860 -1.5368 -1.5368 -1.4795 -1.4795 -1.4275 -1.4275 -1.2775 -1.2775 -0.2200 -0.2200 -0.1785 -0.1785 -0.0769 -0.0769 4.2318 4.2318 4.2838 4.2838 5.8486 5.8486 5.8803 5.8803 6.0823 6.0823 6.2086 6.2086 6.2723 6.2723 k = 0.1212 0.2099 0.5646 ( 16652 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4441 -16.4441 -16.2708 -16.2708 -16.2579 -16.2579 -16.1614 -16.1614 -16.0838 -16.0838 -16.0736 -16.0736 -8.0925 -8.0925 -8.0006 -8.0006 -7.9087 -7.9087 -6.8725 -6.8725 -4.8266 -4.8266 -4.8221 -4.8221 -4.2353 -4.2353 -3.8426 -3.8426 -3.6331 -3.6331 -3.2710 -3.2710 -3.2012 -3.2012 -3.0244 -3.0244 -2.6695 -2.6695 -2.6392 -2.6392 -2.5799 -2.5799 -2.2562 -2.2562 -1.8960 -1.8960 -1.6531 -1.6531 -1.6205 -1.6205 -1.5815 -1.5815 -1.5366 -1.5366 -1.4737 -1.4737 -1.4246 -1.4246 -1.2925 -1.2925 -0.2216 -0.2216 -0.1814 -0.1814 -0.0831 -0.0831 4.2435 4.2435 4.2899 4.2899 5.8527 5.8527 5.8852 5.8852 6.0776 6.0776 6.1967 6.1967 6.3070 6.3070 k = 0.1111 0.1925 0.5646 ( 16648 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4482 -16.4482 -16.2675 -16.2675 -16.2554 -16.2554 -16.1648 -16.1648 -16.0822 -16.0822 -16.0734 -16.0734 -8.0710 -8.0710 -8.0033 -8.0033 -7.9074 -7.9074 -6.9113 -6.9113 -4.8298 -4.8298 -4.8259 -4.8259 -4.2289 -4.2289 -3.7935 -3.7935 -3.6100 -3.6100 -3.2746 -3.2746 -3.2139 -3.2139 -3.0315 -3.0315 -2.6680 -2.6680 -2.6386 -2.6386 -2.5840 -2.5840 -2.2792 -2.2792 -1.9126 -1.9126 -1.6461 -1.6461 -1.6184 -1.6184 -1.5766 -1.5766 -1.5362 -1.5362 -1.4677 -1.4677 -1.4218 -1.4218 -1.3077 -1.3077 -0.2231 -0.2231 -0.1843 -0.1843 -0.0891 -0.0891 4.2552 4.2552 4.2959 4.2959 5.8544 5.8544 5.8926 5.8926 6.0721 6.0721 6.1840 6.1840 6.3438 6.3438 k = 0.1010 0.1750 0.5646 ( 16656 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4521 -16.4521 -16.2642 -16.2642 -16.2530 -16.2530 -16.1683 -16.1683 -16.0806 -16.0806 -16.0732 -16.0732 -8.0494 -8.0494 -8.0058 -8.0058 -7.9062 -7.9062 -6.9493 -6.9493 -4.8328 -4.8328 -4.8293 -4.8293 -4.2225 -4.2225 -3.7450 -3.7450 -3.5871 -3.5871 -3.2787 -3.2787 -3.2268 -3.2268 -3.0378 -3.0378 -2.6669 -2.6669 -2.6387 -2.6387 -2.5898 -2.5898 -2.3005 -2.3005 -1.9285 -1.9285 -1.6395 -1.6395 -1.6164 -1.6164 -1.5713 -1.5713 -1.5358 -1.5358 -1.4615 -1.4615 -1.4190 -1.4190 -1.3229 -1.3229 -0.2247 -0.2247 -0.1873 -0.1873 -0.0951 -0.0951 4.2664 4.2664 4.3015 4.3015 5.8541 5.8541 5.9017 5.9017 6.0663 6.0663 6.1707 6.1707 6.3818 6.3818 k = 0.0909 0.1575 0.5646 ( 16656 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4556 -16.4556 -16.2609 -16.2609 -16.2508 -16.2508 -16.1718 -16.1718 -16.0792 -16.0792 -16.0730 -16.0730 -8.0279 -8.0279 -8.0079 -8.0079 -7.9050 -7.9050 -6.9862 -6.9862 -4.8354 -4.8354 -4.8324 -4.8324 -4.2162 -4.2162 -3.6978 -3.6978 -3.5645 -3.5645 -3.2834 -3.2834 -3.2398 -3.2398 -3.0432 -3.0432 -2.6661 -2.6661 -2.6396 -2.6396 -2.5971 -2.5971 -2.3197 -2.3197 -1.9436 -1.9436 -1.6333 -1.6333 -1.6147 -1.6147 -1.5658 -1.5658 -1.5353 -1.5353 -1.4554 -1.4554 -1.4164 -1.4164 -1.3377 -1.3377 -0.2262 -0.2262 -0.1904 -0.1904 -0.1008 -0.1008 4.2773 4.2773 4.3067 4.3067 5.8527 5.8527 5.9120 5.9120 6.0604 6.0604 6.1570 6.1570 6.4199 6.4199 k = 0.0808 0.1400 0.5646 ( 16638 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4588 -16.4588 -16.2576 -16.2576 -16.2488 -16.2488 -16.1753 -16.1753 -16.0778 -16.0778 -16.0729 -16.0729 -8.0120 -8.0120 -8.0046 -8.0046 -7.9040 -7.9040 -7.0214 -7.0214 -4.8379 -4.8379 -4.8351 -4.8351 -4.2101 -4.2101 -3.6522 -3.6522 -3.5422 -3.5422 -3.2889 -3.2889 -3.2526 -3.2526 -3.0478 -3.0478 -2.6655 -2.6655 -2.6412 -2.6412 -2.6057 -2.6057 -2.3368 -2.3368 -1.9575 -1.9575 -1.6278 -1.6278 -1.6131 -1.6131 -1.5601 -1.5601 -1.5348 -1.5348 -1.4495 -1.4495 -1.4140 -1.4140 -1.3517 -1.3517 -0.2274 -0.2274 -0.1932 -0.1932 -0.1059 -0.1059 4.2877 4.2877 4.3118 4.3118 5.8507 5.8507 5.9231 5.9231 6.0551 6.0551 6.1428 6.1428 6.4575 6.4575 k = 0.0707 0.1225 0.5646 ( 16644 PWs) bands (ev): -91.3597 -91.3597 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4616 -16.4616 -16.2545 -16.2545 -16.2470 -16.2470 -16.1786 -16.1786 -16.0766 -16.0766 -16.0727 -16.0727 -8.0128 -8.0128 -7.9850 -7.9850 -7.9031 -7.9031 -7.0546 -7.0546 -4.8401 -4.8401 -4.8376 -4.8376 -4.2044 -4.2044 -3.6089 -3.6089 -3.5203 -3.5203 -3.2953 -3.2953 -3.2651 -3.2651 -3.0519 -3.0519 -2.6653 -2.6653 -2.6433 -2.6433 -2.6152 -2.6152 -2.3517 -2.3517 -1.9702 -1.9702 -1.6231 -1.6231 -1.6117 -1.6117 -1.5545 -1.5545 -1.5342 -1.5342 -1.4440 -1.4440 -1.4118 -1.4118 -1.3646 -1.3646 -0.2289 -0.2289 -0.1962 -0.1962 -0.1108 -0.1108 4.2971 4.2971 4.3160 4.3160 5.8483 5.8483 5.9346 5.9346 6.0499 6.0499 6.1283 6.1283 6.4933 6.4933 k = 0.0606 0.1050 0.5646 ( 16656 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4641 -16.4641 -16.2515 -16.2515 -16.2454 -16.2454 -16.1818 -16.1818 -16.0755 -16.0755 -16.0726 -16.0726 -8.0143 -8.0143 -7.9654 -7.9654 -7.9022 -7.9022 -7.0852 -7.0852 -4.8421 -4.8421 -4.8396 -4.8396 -4.1990 -4.1990 -3.5684 -3.5684 -3.4991 -3.4991 -3.3026 -3.3026 -3.2771 -3.2771 -3.0554 -3.0554 -2.6654 -2.6654 -2.6458 -2.6458 -2.6250 -2.6250 -2.3644 -2.3644 -1.9816 -1.9816 -1.6192 -1.6192 -1.6105 -1.6105 -1.5492 -1.5492 -1.5335 -1.5335 -1.4391 -1.4391 -1.4099 -1.4099 -1.3760 -1.3760 -0.2306 -0.2306 -0.1992 -0.1992 -0.1153 -0.1153 4.3055 4.3055 4.3197 4.3197 5.8459 5.8459 5.9465 5.9465 6.0453 6.0453 6.1137 6.1137 6.5263 6.5263 k = 0.0505 0.0875 0.5646 ( 16656 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4662 -16.4662 -16.2487 -16.2487 -16.2441 -16.2441 -16.1848 -16.1848 -16.0746 -16.0746 -16.0726 -16.0726 -8.0157 -8.0157 -7.9474 -7.9474 -7.9015 -7.9015 -7.1128 -7.1128 -4.8437 -4.8437 -4.8413 -4.8413 -4.1943 -4.1943 -3.5315 -3.5315 -3.4785 -3.4785 -3.3108 -3.3108 -3.2886 -3.2886 -3.0584 -3.0584 -2.6659 -2.6659 -2.6485 -2.6485 -2.6345 -2.6345 -2.3748 -2.3748 -1.9915 -1.9915 -1.6161 -1.6161 -1.6094 -1.6094 -1.5443 -1.5443 -1.5329 -1.5329 -1.4351 -1.4351 -1.4083 -1.4083 -1.3854 -1.3854 -0.2319 -0.2319 -0.2017 -0.2017 -0.1190 -0.1190 4.3128 4.3128 4.3232 4.3232 5.8435 5.8435 5.9588 5.9588 6.0413 6.0413 6.0990 6.0990 6.5552 6.5552 k = 0.0404 0.0700 0.5646 ( 16664 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4679 -16.4679 -16.2462 -16.2462 -16.2430 -16.2430 -16.1875 -16.1875 -16.0738 -16.0738 -16.0725 -16.0725 -8.0169 -8.0169 -7.9314 -7.9314 -7.9009 -7.9009 -7.1365 -7.1365 -4.8451 -4.8451 -4.8428 -4.8428 -4.1902 -4.1902 -3.4989 -3.4989 -3.4586 -3.4586 -3.3195 -3.3195 -3.2996 -3.2996 -3.0610 -3.0610 -2.6671 -2.6671 -2.6511 -2.6511 -2.6427 -2.6427 -2.3832 -2.3832 -1.9997 -1.9997 -1.6139 -1.6139 -1.6084 -1.6084 -1.5400 -1.5400 -1.5323 -1.5323 -1.4323 -1.4323 -1.4073 -1.4073 -1.3924 -1.3924 -0.2332 -0.2332 -0.2040 -0.2040 -0.1221 -0.1221 4.3190 4.3190 4.3259 4.3259 5.8414 5.8414 5.9713 5.9713 6.0378 6.0378 6.0844 6.0844 6.5789 6.5789 k = 0.0303 0.0525 0.5646 ( 16668 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4692 -16.4692 -16.2440 -16.2440 -16.2421 -16.2421 -16.1898 -16.1898 -16.0732 -16.0732 -16.0724 -16.0724 -8.0178 -8.0178 -7.9182 -7.9182 -7.9004 -7.9004 -7.1559 -7.1559 -4.8462 -4.8462 -4.8438 -4.8438 -4.1868 -4.1868 -3.4718 -3.4718 -3.4397 -3.4397 -3.3284 -3.3284 -3.3102 -3.3102 -3.0631 -3.0631 -2.6692 -2.6692 -2.6533 -2.6533 -2.6490 -2.6490 -2.3895 -2.3895 -2.0062 -2.0062 -1.6124 -1.6124 -1.6075 -1.6075 -1.5365 -1.5365 -1.5318 -1.5318 -1.4308 -1.4308 -1.4069 -1.4069 -1.3967 -1.3967 -0.2344 -0.2344 -0.2059 -0.2059 -0.1246 -0.1246 4.3241 4.3241 4.3280 4.3280 5.8397 5.8397 5.9841 5.9841 6.0350 6.0350 6.0701 6.0701 6.5969 6.5969 k = 0.0202 0.0350 0.5646 ( 16664 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4702 -16.4702 -16.2424 -16.2424 -16.2414 -16.2414 -16.1915 -16.1915 -16.0727 -16.0727 -16.0724 -16.0724 -8.0185 -8.0185 -7.9082 -7.9082 -7.9000 -7.9000 -7.1703 -7.1703 -4.8470 -4.8470 -4.8446 -4.8446 -4.1844 -4.1844 -3.4511 -3.4511 -3.4225 -3.4225 -3.3367 -3.3367 -3.3200 -3.3200 -3.0647 -3.0647 -2.6720 -2.6720 -2.6549 -2.6549 -2.6529 -2.6529 -2.3939 -2.3939 -2.0110 -2.0110 -1.6114 -1.6114 -1.6068 -1.6068 -1.5342 -1.5342 -1.5311 -1.5311 -1.4304 -1.4304 -1.4071 -1.4071 -1.3986 -1.3986 -0.2352 -0.2352 -0.2072 -0.2072 -0.1263 -0.1263 4.3275 4.3275 4.3299 4.3299 5.8384 5.8384 5.9970 5.9970 6.0327 6.0327 6.0564 6.0564 6.6089 6.6089 k = 0.0101 0.0175 0.5646 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4708 -16.4708 -16.2414 -16.2414 -16.2410 -16.2410 -16.1926 -16.1926 -16.0725 -16.0725 -16.0724 -16.0724 -8.0189 -8.0189 -7.9022 -7.9022 -7.8997 -7.8997 -7.1791 -7.1791 -4.8474 -4.8474 -4.8449 -4.8449 -4.1829 -4.1829 -3.4380 -3.4380 -3.4093 -3.4093 -3.3430 -3.3430 -3.3278 -3.3278 -3.0657 -3.0657 -2.6743 -2.6743 -2.6558 -2.6558 -2.6548 -2.6548 -2.3966 -2.3966 -2.0138 -2.0138 -1.6109 -1.6109 -1.6063 -1.6063 -1.5329 -1.5329 -1.5305 -1.5305 -1.4307 -1.4307 -1.4074 -1.4074 -1.3991 -1.3991 -0.2353 -0.2353 -0.2077 -0.2077 -0.1270 -0.1270 4.3299 4.3299 4.3316 4.3316 5.8377 5.8377 6.0098 6.0098 6.0299 6.0299 6.0448 6.0448 6.6150 6.6151 k = 0.0000 0.0000 0.5646 ( 16626 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4710 -16.4710 -16.2411 -16.2411 -16.2408 -16.2408 -16.1930 -16.1930 -16.0724 -16.0724 -16.0724 -16.0724 -8.0190 -8.0190 -7.9006 -7.9006 -7.8991 -7.8991 -7.1821 -7.1821 -4.8475 -4.8475 -4.8451 -4.8451 -4.1824 -4.1824 -3.4334 -3.4334 -3.4041 -3.4041 -3.3455 -3.3455 -3.3310 -3.3310 -3.0660 -3.0660 -2.6752 -2.6752 -2.6561 -2.6561 -2.6554 -2.6554 -2.3974 -2.3974 -2.0148 -2.0148 -1.6108 -1.6108 -1.6062 -1.6062 -1.5325 -1.5325 -1.5302 -1.5302 -1.4308 -1.4308 -1.4075 -1.4075 -1.3992 -1.3992 -0.2353 -0.2353 -0.2079 -0.2079 -0.1273 -0.1273 4.3306 4.3306 4.3321 4.3321 5.8374 5.8374 6.0196 6.0196 6.0244 6.0244 6.0399 6.0399 6.6166 6.6166 k = 0.5000 0.2887 0.5646 ( 16656 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3540 -16.3540 -16.3368 -16.3368 -16.2980 -16.2980 -16.1131 -16.1131 -16.1004 -16.1004 -16.0910 -16.0910 -8.2861 -8.2861 -7.9483 -7.9483 -7.9475 -7.9475 -6.4304 -6.4304 -4.7987 -4.7987 -4.6044 -4.6044 -4.5590 -4.5590 -4.2860 -4.2860 -3.8661 -3.8661 -3.3448 -3.3448 -2.9135 -2.9135 -2.9135 -2.9135 -2.7182 -2.7182 -2.6611 -2.6611 -2.6191 -2.6191 -1.9419 -1.9419 -1.7892 -1.7892 -1.7585 -1.7585 -1.6757 -1.6757 -1.6383 -1.6383 -1.5911 -1.5911 -1.5610 -1.5610 -1.2293 -1.2293 -1.1866 -1.1866 -0.2460 -0.2460 -0.1268 -0.1268 -0.0240 -0.0240 4.1062 4.1062 4.2259 4.2259 5.7945 5.7945 5.8175 5.8175 5.9070 5.9070 6.2334 6.2334 6.3027 6.3027 k = 0.5000 0.2887 0.5445 ( 16664 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3542 -16.3542 -16.3373 -16.3373 -16.2976 -16.2976 -16.1136 -16.1136 -16.0998 -16.0998 -16.0908 -16.0908 -8.2858 -8.2858 -7.9484 -7.9484 -7.9470 -7.9470 -6.4321 -6.4321 -4.8004 -4.8004 -4.6003 -4.6003 -4.5612 -4.5612 -4.2830 -4.2830 -3.8674 -3.8674 -3.3447 -3.3447 -2.9247 -2.9247 -2.9015 -2.9015 -2.7236 -2.7236 -2.6617 -2.6617 -2.6141 -2.6141 -1.9424 -1.9424 -1.7911 -1.7911 -1.7586 -1.7586 -1.6741 -1.6741 -1.6423 -1.6423 -1.5890 -1.5890 -1.5587 -1.5587 -1.2298 -1.2298 -1.1873 -1.1873 -0.2461 -0.2461 -0.1265 -0.1265 -0.0245 -0.0245 4.1070 4.1070 4.2254 4.2254 5.7939 5.7939 5.8153 5.8153 5.9058 5.9058 6.2358 6.2358 6.3044 6.3044 k = 0.5000 0.2887 0.5243 ( 16652 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3547 -16.3547 -16.3387 -16.3387 -16.2965 -16.2965 -16.1148 -16.1148 -16.0984 -16.0984 -16.0902 -16.0902 -8.2849 -8.2849 -7.9486 -7.9486 -7.9456 -7.9456 -6.4370 -6.4370 -4.8051 -4.8051 -4.5882 -4.5882 -4.5674 -4.5674 -4.2743 -4.2743 -3.8713 -3.8713 -3.3443 -3.3443 -2.9350 -2.9350 -2.8887 -2.8887 -2.7381 -2.7381 -2.6620 -2.6620 -2.6022 -2.6022 -1.9441 -1.9441 -1.7963 -1.7963 -1.7586 -1.7586 -1.6703 -1.6703 -1.6521 -1.6521 -1.5828 -1.5828 -1.5531 -1.5531 -1.2313 -1.2313 -1.1892 -1.1892 -0.2461 -0.2461 -0.1256 -0.1256 -0.0256 -0.0256 4.1094 4.1094 4.2253 4.2253 5.7917 5.7917 5.8094 5.8094 5.9023 5.9023 6.2424 6.2424 6.3096 6.3096 k = 0.5000 0.2887 0.5041 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3556 -16.3556 -16.3410 -16.3410 -16.2947 -16.2947 -16.1163 -16.1163 -16.0963 -16.0963 -16.0893 -16.0893 -8.2834 -8.2834 -7.9489 -7.9489 -7.9434 -7.9434 -6.4451 -6.4451 -4.8116 -4.8116 -4.5789 -4.5789 -4.5673 -4.5673 -4.2604 -4.2604 -3.8777 -3.8777 -3.3437 -3.3437 -2.9444 -2.9444 -2.8751 -2.8751 -2.7584 -2.7584 -2.6610 -2.6610 -2.5876 -2.5876 -1.9476 -1.9476 -1.8041 -1.8041 -1.7577 -1.7577 -1.6745 -1.6745 -1.6560 -1.6560 -1.5733 -1.5733 -1.5465 -1.5465 -1.2337 -1.2337 -1.1924 -1.1924 -0.2463 -0.2463 -0.1238 -0.1238 -0.0277 -0.0277 4.1138 4.1138 4.2251 4.2251 5.7857 5.7857 5.8024 5.8024 5.8970 5.8970 6.2513 6.2513 6.3193 6.3193 k = 0.5000 0.2887 0.4840 ( 16630 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3569 -16.3569 -16.3438 -16.3438 -16.2927 -16.2927 -16.1179 -16.1179 -16.0941 -16.0941 -16.0879 -16.0879 -8.2813 -8.2813 -7.9494 -7.9494 -7.9404 -7.9404 -6.4562 -6.4562 -4.8188 -4.8188 -4.5906 -4.5906 -4.5436 -4.5436 -4.2427 -4.2427 -3.8867 -3.8867 -3.3430 -3.3430 -2.9527 -2.9527 -2.8610 -2.8610 -2.7821 -2.7821 -2.6585 -2.6585 -2.5725 -2.5725 -1.9534 -1.9534 -1.8136 -1.8136 -1.7550 -1.7550 -1.6916 -1.6916 -1.6483 -1.6483 -1.5610 -1.5610 -1.5406 -1.5406 -1.2368 -1.2368 -1.1965 -1.1965 -0.2467 -0.2467 -0.1219 -0.1219 -0.0307 -0.0307 4.1192 4.1192 4.2246 4.2246 5.7732 5.7732 5.7977 5.7977 5.8906 5.8906 6.2603 6.2603 6.3341 6.3341 k = 0.5000 0.2887 0.4638 ( 16646 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3584 -16.3584 -16.3469 -16.3469 -16.2904 -16.2904 -16.1194 -16.1194 -16.0917 -16.0917 -16.0862 -16.0862 -8.2787 -8.2787 -7.9500 -7.9500 -7.9365 -7.9365 -6.4701 -6.4701 -4.8258 -4.8258 -4.6047 -4.6047 -4.5147 -4.5147 -4.2218 -4.2218 -3.8980 -3.8980 -3.3422 -3.3422 -2.9601 -2.9601 -2.8465 -2.8465 -2.8077 -2.8077 -2.6548 -2.6548 -2.5578 -2.5578 -1.9620 -1.9620 -1.8241 -1.8241 -1.7500 -1.7500 -1.7123 -1.7123 -1.6382 -1.6382 -1.5467 -1.5467 -1.5363 -1.5363 -1.2405 -1.2405 -1.2014 -1.2014 -0.2474 -0.2474 -0.1200 -0.1200 -0.0346 -0.0346 4.1258 4.1258 4.2237 4.2237 5.7556 5.7556 5.7946 5.7946 5.8834 5.8834 6.2681 6.2681 6.3543 6.3543 k = 0.5000 0.2887 0.4436 ( 16650 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.3602 -16.3602 -16.3504 -16.3504 -16.2881 -16.2881 -16.1207 -16.1207 -16.0893 -16.0893 -16.0843 -16.0843 -8.2754 -8.2754 -7.9507 -7.9507 -7.9320 -7.9320 -6.4865 -6.4865 -4.8321 -4.8321 -4.6200 -4.6200 -4.4822 -4.4822 -4.1983 -4.1983 -3.9116 -3.9116 -3.3414 -3.3414 -2.9664 -2.9664 -2.8362 -2.8362 -2.8298 -2.8298 -2.6498 -2.6498 -2.5440 -2.5440 -1.9735 -1.9735 -1.8352 -1.8352 -1.7428 -1.7428 -1.7347 -1.7347 -1.6275 -1.6275 -1.5344 -1.5344 -1.5302 -1.5302 -1.2446 -1.2446 -1.2069 -1.2069 -0.2481 -0.2481 -0.1178 -0.1178 -0.0390 -0.0390 4.1338 4.1338 4.2228 4.2228 5.7352 5.7352 5.7924 5.7924 5.8758 5.8758 6.2742 6.2742 6.3791 6.3791 k = 0.5000 0.2887 0.4235 ( 16634 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3623 -16.3623 -16.3539 -16.3539 -16.2859 -16.2859 -16.1217 -16.1217 -16.0869 -16.0869 -16.0820 -16.0820 -8.2714 -8.2714 -7.9515 -7.9515 -7.9269 -7.9269 -6.5052 -6.5052 -4.8372 -4.8372 -4.6358 -4.6358 -4.4467 -4.4467 -4.1729 -4.1729 -3.9272 -3.9272 -3.3408 -3.3408 -2.9717 -2.9717 -2.8622 -2.8622 -2.8157 -2.8157 -2.6433 -2.6433 -2.5315 -2.5315 -1.9876 -1.9876 -1.8467 -1.8467 -1.7586 -1.7586 -1.7335 -1.7335 -1.6170 -1.6170 -1.5336 -1.5336 -1.5131 -1.5131 -1.2486 -1.2486 -1.2127 -1.2127 -0.2487 -0.2487 -0.1155 -0.1155 -0.0434 -0.0434 4.1433 4.1433 4.2221 4.2221 5.7132 5.7132 5.7904 5.7904 5.8682 5.8682 6.2788 6.2788 6.4073 6.4073 k = 0.5000 0.2887 0.4033 ( 16640 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3646 -16.3646 -16.3576 -16.3576 -16.2839 -16.2839 -16.1225 -16.1225 -16.0845 -16.0845 -16.0796 -16.0796 -8.2669 -8.2669 -7.9524 -7.9524 -7.9213 -7.9213 -6.5257 -6.5257 -4.8410 -4.8410 -4.6519 -4.6519 -4.4089 -4.4089 -4.1461 -4.1461 -3.9448 -3.9448 -3.3404 -3.3404 -2.9760 -2.9760 -2.8893 -2.8893 -2.8003 -2.8003 -2.6355 -2.6355 -2.5204 -2.5204 -2.0039 -2.0039 -1.8582 -1.8582 -1.7832 -1.7832 -1.7234 -1.7234 -1.6078 -1.6078 -1.5345 -1.5345 -1.4947 -1.4947 -1.2524 -1.2524 -1.2185 -1.2185 -0.2497 -0.2497 -0.1141 -0.1141 -0.0479 -0.0479 4.1533 4.1533 4.2213 4.2213 5.6902 5.6902 5.7888 5.7888 5.8607 5.8607 6.2820 6.2820 6.4378 6.4378 k = 0.5000 0.2887 0.3831 ( 16638 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3670 -16.3670 -16.3612 -16.3612 -16.2820 -16.2820 -16.1229 -16.1229 -16.0823 -16.0823 -16.0769 -16.0769 -8.2617 -8.2617 -7.9533 -7.9533 -7.9153 -7.9153 -6.5478 -6.5478 -4.8434 -4.8434 -4.6679 -4.6679 -4.3693 -4.3693 -4.1180 -4.1180 -3.9640 -3.9640 -3.3405 -3.3405 -2.9792 -2.9792 -2.9160 -2.9160 -2.7847 -2.7847 -2.6263 -2.6263 -2.5111 -2.5111 -2.0219 -2.0219 -1.8698 -1.8698 -1.8082 -1.8082 -1.7133 -1.7133 -1.6012 -1.6012 -1.5356 -1.5356 -1.4754 -1.4754 -1.2555 -1.2555 -1.2243 -1.2243 -0.2508 -0.2508 -0.1137 -0.1137 -0.0518 -0.0518 4.1647 4.1647 4.2201 4.2201 5.6668 5.6668 5.7876 5.7876 5.8535 5.8535 6.2840 6.2840 6.4698 6.4698 k = 0.5000 0.2887 0.3630 ( 16624 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3696 -16.3696 -16.3649 -16.3649 -16.2805 -16.2805 -16.1230 -16.1230 -16.0803 -16.0803 -16.0741 -16.0741 -8.2560 -8.2560 -7.9544 -7.9544 -7.9090 -7.9090 -6.5712 -6.5712 -4.8443 -4.8443 -4.6837 -4.6837 -4.3283 -4.3283 -4.0891 -4.0891 -3.9846 -3.9846 -3.3410 -3.3410 -2.9815 -2.9815 -2.9415 -2.9415 -2.7693 -2.7693 -2.6157 -2.6157 -2.5035 -2.5035 -2.0411 -2.0411 -1.8815 -1.8815 -1.8335 -1.8335 -1.7039 -1.7039 -1.5991 -1.5991 -1.5349 -1.5349 -1.4553 -1.4553 -1.2576 -1.2576 -1.2298 -1.2298 -0.2520 -0.2520 -0.1149 -0.1149 -0.0543 -0.0543 4.1769 4.1769 4.2193 4.2193 5.6436 5.6436 5.7870 5.7870 5.8469 5.8469 6.2849 6.2849 6.5027 6.5027 k = 0.5000 0.2887 0.3428 ( 16626 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3723 -16.3723 -16.3684 -16.3684 -16.2792 -16.2792 -16.1227 -16.1227 -16.0784 -16.0784 -16.0712 -16.0712 -8.2496 -8.2496 -7.9555 -7.9555 -7.9026 -7.9026 -6.5954 -6.5954 -4.8438 -4.8438 -4.6990 -4.6990 -4.2867 -4.2867 -4.0600 -4.0600 -4.0057 -4.0057 -3.3423 -3.3423 -2.9834 -2.9834 -2.9651 -2.9651 -2.7541 -2.7541 -2.6038 -2.6038 -2.4980 -2.4980 -2.0612 -2.0612 -1.8936 -1.8936 -1.8583 -1.8583 -1.6959 -1.6959 -1.6029 -1.6029 -1.5309 -1.5309 -1.4345 -1.4345 -1.2586 -1.2586 -1.2351 -1.2351 -0.2536 -0.2536 -0.1184 -0.1184 -0.0553 -0.0553 4.1895 4.1895 4.2180 4.2180 5.6206 5.6206 5.7870 5.7870 5.8409 5.8409 6.2847 6.2847 6.5359 6.5359 k = 0.5000 0.2887 0.3226 ( 16628 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3750 -16.3750 -16.3719 -16.3719 -16.2782 -16.2782 -16.1220 -16.1220 -16.0766 -16.0766 -16.0682 -16.0682 -8.2426 -8.2426 -7.9566 -7.9566 -7.8962 -7.8962 -6.6202 -6.6202 -4.8419 -4.8419 -4.7138 -4.7138 -4.2453 -4.2453 -4.0362 -4.0362 -4.0213 -4.0213 -3.3444 -3.3444 -2.9915 -2.9915 -2.9798 -2.9798 -2.7392 -2.7392 -2.5906 -2.5906 -2.4946 -2.4946 -2.0818 -2.0818 -1.9072 -1.9072 -1.8814 -1.8814 -1.6899 -1.6899 -1.6121 -1.6121 -1.5238 -1.5238 -1.4133 -1.4133 -1.2582 -1.2582 -1.2399 -1.2399 -0.2554 -0.2554 -0.1243 -0.1243 -0.0545 -0.0545 4.2026 4.2026 4.2168 4.2168 5.5981 5.5981 5.7877 5.7877 5.8356 5.8356 6.2834 6.2834 6.5688 6.5688 k = 0.5000 0.2887 0.3025 ( 16624 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3777 -16.3777 -16.3752 -16.3752 -16.2775 -16.2775 -16.1210 -16.1210 -16.0751 -16.0751 -16.0652 -16.0652 -8.2351 -8.2351 -7.9578 -7.9578 -7.8899 -7.8899 -6.6452 -6.6452 -4.8386 -4.8386 -4.7279 -4.7279 -4.2061 -4.2061 -4.0498 -4.0498 -3.9975 -3.9975 -3.3474 -3.3474 -3.0104 -3.0104 -2.9807 -2.9807 -2.7248 -2.7248 -2.5763 -2.5763 -2.4935 -2.4935 -2.1026 -2.1026 -1.9248 -1.9248 -1.9000 -1.9000 -1.6861 -1.6861 -1.6252 -1.6252 -1.5148 -1.5148 -1.3919 -1.3919 -1.2571 -1.2571 -1.2437 -1.2437 -0.2574 -0.2574 -0.1320 -0.1320 -0.0522 -0.0522 4.2139 4.2139 4.2177 4.2177 5.5765 5.5765 5.7892 5.7892 5.8311 5.8311 6.2812 6.2812 6.5764 6.5764 k = 0.5000 0.2887 0.2823 ( 16624 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3804 -16.3804 -16.3784 -16.3784 -16.2770 -16.2770 -16.1197 -16.1197 -16.0737 -16.0737 -16.0623 -16.0623 -8.2272 -8.2272 -7.9590 -7.9590 -7.8839 -7.8839 -6.6701 -6.6701 -4.8339 -4.8339 -4.7414 -4.7414 -4.1746 -4.1746 -4.0624 -4.0624 -3.9677 -3.9677 -3.3514 -3.3514 -3.0284 -3.0284 -2.9795 -2.9795 -2.7112 -2.7112 -2.5611 -2.5611 -2.4946 -2.4946 -2.1234 -2.1234 -1.9468 -1.9468 -1.9135 -1.9135 -1.6848 -1.6848 -1.6407 -1.6407 -1.5048 -1.5048 -1.3705 -1.3705 -1.2573 -1.2573 -1.2443 -1.2443 -0.2597 -0.2597 -0.1411 -0.1411 -0.0489 -0.0489 4.2140 4.2140 4.2298 4.2298 5.5557 5.5557 5.7914 5.7914 5.8276 5.8276 6.2782 6.2782 6.5592 6.5592 k = 0.5000 0.2887 0.2621 ( 16638 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3831 -16.3831 -16.3814 -16.3814 -16.2768 -16.2768 -16.1181 -16.1181 -16.0726 -16.0726 -16.0593 -16.0593 -8.2188 -8.2188 -7.9601 -7.9601 -7.8782 -7.8782 -6.6947 -6.6947 -4.8280 -4.8280 -4.7541 -4.7541 -4.1627 -4.1627 -4.0566 -4.0566 -3.9379 -3.9379 -3.3566 -3.3566 -3.0441 -3.0441 -2.9773 -2.9773 -2.6983 -2.6983 -2.5452 -2.5452 -2.4979 -2.4979 -2.1439 -2.1439 -1.9707 -1.9707 -1.9243 -1.9243 -1.6857 -1.6857 -1.6577 -1.6577 -1.4945 -1.4945 -1.3493 -1.3493 -1.2606 -1.2606 -1.2402 -1.2402 -0.2625 -0.2625 -0.1512 -0.1512 -0.0451 -0.0451 4.2125 4.2125 4.2431 4.2431 5.5360 5.5360 5.7945 5.7945 5.8250 5.8250 6.2743 6.2743 6.5398 6.5398 k = 0.5000 0.2887 0.2420 ( 16618 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3857 -16.3857 -16.3842 -16.3842 -16.2767 -16.2767 -16.1163 -16.1163 -16.0716 -16.0716 -16.0565 -16.0565 -8.2101 -8.2101 -7.9613 -7.9613 -7.8729 -7.8729 -6.7185 -6.7185 -4.8208 -4.8208 -4.7660 -4.7660 -4.1733 -4.1733 -4.0291 -4.0291 -3.9083 -3.9083 -3.3627 -3.3627 -3.0573 -3.0573 -2.9744 -2.9744 -2.6864 -2.6864 -2.5288 -2.5288 -2.5032 -2.5032 -2.1638 -2.1638 -1.9948 -1.9948 -1.9339 -1.9339 -1.6889 -1.6889 -1.6751 -1.6751 -1.4841 -1.4841 -1.3286 -1.3286 -1.2653 -1.2653 -1.2330 -1.2330 -0.2652 -0.2652 -0.1613 -0.1613 -0.0406 -0.0406 4.2115 4.2115 4.2566 4.2566 5.5176 5.5176 5.7984 5.7984 5.8236 5.8236 6.2697 6.2697 6.5187 6.5187 k = 0.5000 0.2887 0.2218 ( 16608 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3882 -16.3882 -16.3869 -16.3869 -16.2769 -16.2769 -16.1142 -16.1142 -16.0709 -16.0709 -16.0537 -16.0537 -8.2011 -8.2011 -7.9624 -7.9624 -7.8682 -7.8682 -6.7414 -6.7414 -4.8125 -4.8125 -4.7770 -4.7770 -4.1948 -4.1948 -3.9919 -3.9919 -3.8794 -3.8794 -3.3698 -3.3698 -3.0681 -3.0681 -2.9709 -2.9709 -2.6754 -2.6754 -2.5152 -2.5152 -2.5074 -2.5074 -2.1831 -2.1831 -2.0184 -2.0184 -1.9427 -1.9427 -1.6952 -1.6952 -1.6912 -1.6912 -1.4739 -1.4739 -1.3089 -1.3089 -1.2704 -1.2704 -1.2240 -1.2240 -0.2684 -0.2684 -0.1717 -0.1717 -0.0360 -0.0360 4.2103 4.2103 4.2696 4.2696 5.5004 5.5004 5.8028 5.8028 5.8233 5.8233 6.2646 6.2646 6.4965 6.4965 k = 0.5000 0.2887 0.2016 ( 16614 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3905 -16.3905 -16.3893 -16.3893 -16.2772 -16.2772 -16.1120 -16.1120 -16.0704 -16.0704 -16.0512 -16.0512 -8.1921 -8.1921 -7.9635 -7.9635 -7.8641 -7.8641 -6.7632 -6.7632 -4.8032 -4.8032 -4.7870 -4.7870 -4.2200 -4.2200 -3.9520 -3.9520 -3.8515 -3.8515 -3.3777 -3.3777 -3.0766 -3.0766 -2.9670 -2.9670 -2.6656 -2.6656 -2.5212 -2.5212 -2.4937 -2.4937 -2.2015 -2.2015 -2.0413 -2.0413 -1.9510 -1.9510 -1.7104 -1.7104 -1.6995 -1.6995 -1.4640 -1.4640 -1.2913 -1.2913 -1.2748 -1.2748 -1.2138 -1.2138 -0.2724 -0.2724 -0.1820 -0.1820 -0.0318 -0.0318 4.2092 4.2092 4.2816 4.2816 5.4844 5.4844 5.8074 5.8074 5.8242 5.8242 6.2591 6.2591 6.4736 6.4736 k = 0.5000 0.2887 0.1815 ( 16624 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3927 -16.3927 -16.3916 -16.3916 -16.2776 -16.2776 -16.1097 -16.1097 -16.0701 -16.0701 -16.0487 -16.0487 -8.1830 -8.1830 -7.9645 -7.9645 -7.8606 -7.8606 -6.7835 -6.7835 -4.7976 -4.7976 -4.7916 -4.7916 -4.2466 -4.2466 -3.9121 -3.9121 -3.8248 -3.8248 -3.3863 -3.3863 -3.0831 -3.0831 -2.9628 -2.9628 -2.6570 -2.6570 -2.5317 -2.5317 -2.4772 -2.4772 -2.2187 -2.2187 -2.0630 -2.0630 -1.9589 -1.9589 -1.7263 -1.7263 -1.7071 -1.7071 -1.4545 -1.4545 -1.2855 -1.2855 -1.2688 -1.2688 -1.2027 -1.2027 -0.2769 -0.2769 -0.1915 -0.1915 -0.0277 -0.0277 4.2079 4.2079 4.2928 4.2928 5.4699 5.4699 5.8116 5.8116 5.8269 5.8269 6.2533 6.2533 6.4505 6.4505 k = 0.5000 0.2887 0.1613 ( 16630 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3947 -16.3947 -16.3936 -16.3936 -16.2780 -16.2780 -16.1073 -16.1073 -16.0700 -16.0700 -16.0465 -16.0465 -8.1741 -8.1741 -7.9655 -7.9655 -7.8578 -7.8578 -6.8022 -6.8022 -4.8053 -4.8053 -4.7812 -4.7812 -4.2734 -4.2734 -3.8734 -3.8734 -3.7995 -3.7995 -3.3952 -3.3952 -3.0878 -3.0878 -2.9585 -2.9585 -2.6496 -2.6496 -2.5433 -2.5433 -2.4611 -2.4611 -2.2346 -2.2346 -2.0833 -2.0833 -1.9662 -1.9662 -1.7410 -1.7410 -1.7153 -1.7153 -1.4454 -1.4454 -1.2904 -1.2904 -1.2537 -1.2537 -1.1913 -1.1913 -0.2822 -0.2822 -0.2000 -0.2000 -0.0237 -0.0237 4.2069 4.2069 4.3032 4.3032 5.4568 5.4568 5.8150 5.8150 5.8314 5.8314 6.2474 6.2474 6.4277 6.4277 k = 0.5000 0.2887 0.1412 ( 16638 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3965 -16.3965 -16.3954 -16.3954 -16.2785 -16.2785 -16.1050 -16.1050 -16.0702 -16.0702 -16.0445 -16.0445 -8.1656 -8.1656 -7.9664 -7.9664 -7.8556 -7.8556 -6.8191 -6.8191 -4.8127 -4.8127 -4.7695 -4.7695 -4.2996 -4.2996 -3.8368 -3.8368 -3.7758 -3.7758 -3.4042 -3.4042 -3.0911 -3.0911 -2.9541 -2.9541 -2.6433 -2.6433 -2.5556 -2.5556 -2.4457 -2.4457 -2.2490 -2.2490 -2.1020 -2.1020 -1.9731 -1.9731 -1.7541 -1.7541 -1.7239 -1.7239 -1.4369 -1.4369 -1.2964 -1.2964 -1.2391 -1.2391 -1.1799 -1.1799 -0.2882 -0.2882 -0.2073 -0.2073 -0.0201 -0.0201 4.2061 4.2061 4.3127 4.3127 5.4451 5.4451 5.8176 5.8176 5.8375 5.8375 6.2416 6.2416 6.4058 6.4058 k = 0.5000 0.2887 0.1210 ( 16648 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3982 -16.3982 -16.3970 -16.3970 -16.2790 -16.2790 -16.1027 -16.1027 -16.0704 -16.0704 -16.0427 -16.0427 -8.1576 -8.1576 -7.9671 -7.9671 -7.8541 -7.8541 -6.8341 -6.8341 -4.8192 -4.8192 -4.7575 -4.7575 -4.3248 -4.3248 -3.8031 -3.8031 -3.7541 -3.7541 -3.4131 -3.4131 -3.0933 -3.0933 -2.9499 -2.9499 -2.6383 -2.6383 -2.5679 -2.5679 -2.4316 -2.4316 -2.2616 -2.2616 -2.1189 -2.1189 -1.9795 -1.9795 -1.7655 -1.7655 -1.7323 -1.7323 -1.4289 -1.4289 -1.3024 -1.3024 -1.2260 -1.2260 -1.1689 -1.1689 -0.2943 -0.2943 -0.2133 -0.2133 -0.0169 -0.0169 4.2051 4.2051 4.3210 4.3210 5.4349 5.4349 5.8199 5.8199 5.8442 5.8442 6.2361 6.2361 6.3853 6.3853 k = 0.5000 0.2887 0.1008 ( 16652 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3995 -16.3995 -16.3984 -16.3984 -16.2794 -16.2794 -16.1005 -16.1005 -16.0708 -16.0708 -16.0412 -16.0412 -8.1504 -8.1504 -7.9678 -7.9678 -7.8530 -7.8530 -6.8469 -6.8469 -4.8248 -4.8248 -4.7455 -4.7455 -4.3482 -4.3482 -3.7733 -3.7733 -3.7343 -3.7343 -3.4216 -3.4216 -3.0947 -3.0947 -2.9460 -2.9460 -2.6343 -2.6343 -2.5796 -2.5796 -2.4191 -2.4191 -2.2724 -2.2724 -2.1336 -2.1336 -1.9852 -1.9852 -1.7750 -1.7750 -1.7403 -1.7403 -1.4215 -1.4215 -1.3083 -1.3083 -1.2147 -1.2147 -1.1588 -1.1588 -0.3003 -0.3003 -0.2181 -0.2181 -0.0141 -0.0141 4.2043 4.2043 4.3283 4.3283 5.4263 5.4263 5.8220 5.8220 5.8511 5.8511 6.2310 6.2310 6.3667 6.3667 k = 0.5000 0.2887 0.0807 ( 16642 PWs) bands (ev): -91.3597 -91.3597 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4007 -16.4007 -16.3995 -16.3995 -16.2798 -16.2798 -16.0986 -16.0986 -16.0713 -16.0713 -16.0399 -16.0399 -8.1440 -8.1440 -7.9684 -7.9684 -7.8524 -7.8524 -6.8576 -6.8576 -4.8293 -4.8293 -4.7342 -4.7342 -4.3690 -4.3690 -3.7484 -3.7484 -3.7164 -3.7164 -3.4294 -3.4294 -3.0954 -3.0954 -2.9425 -2.9425 -2.6313 -2.6313 -2.5902 -2.5902 -2.4084 -2.4084 -2.2812 -2.2812 -2.1461 -2.1461 -1.9901 -1.9901 -1.7826 -1.7826 -1.7475 -1.7475 -1.4150 -1.4150 -1.3138 -1.3138 -1.2053 -1.2053 -1.1499 -1.1499 -0.3059 -0.3059 -0.2215 -0.2215 -0.0116 -0.0116 4.2039 4.2039 4.3347 4.3347 5.4193 5.4193 5.8239 5.8239 5.8577 5.8577 6.2265 6.2265 6.3505 6.3505 k = 0.5000 0.2887 0.0605 ( 16642 PWs) bands (ev): -91.3597 -91.3597 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.4016 -16.4016 -16.4003 -16.4003 -16.2801 -16.2801 -16.0969 -16.0969 -16.0718 -16.0718 -16.0389 -16.0389 -8.1389 -8.1389 -7.9688 -7.9688 -7.8521 -7.8521 -6.8660 -6.8660 -4.8328 -4.8328 -4.7241 -4.7241 -4.3867 -4.3867 -3.7294 -3.7294 -3.7006 -3.7006 -3.4361 -3.4361 -3.0958 -3.0958 -2.9396 -2.9396 -2.6292 -2.6292 -2.5991 -2.5991 -2.4000 -2.4000 -2.2879 -2.2879 -2.1560 -2.1560 -1.9941 -1.9941 -1.7885 -1.7885 -1.7535 -1.7535 -1.4095 -1.4095 -1.3187 -1.3187 -1.1978 -1.1978 -1.1426 -1.1426 -0.3108 -0.3108 -0.2242 -0.2242 -0.0095 -0.0095 4.2033 4.2033 4.3396 4.3396 5.4138 5.4138 5.8255 5.8255 5.8634 5.8634 6.2228 6.2228 6.3372 6.3372 k = 0.5000 0.2887 0.0403 ( 16650 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4022 -16.4022 -16.4010 -16.4010 -16.2804 -16.2804 -16.0956 -16.0956 -16.0722 -16.0722 -16.0382 -16.0382 -8.1351 -8.1351 -7.9691 -7.9691 -7.8519 -7.8519 -6.8720 -6.8720 -4.8353 -4.8353 -4.7160 -4.7160 -4.4004 -4.4004 -3.7163 -3.7163 -3.6877 -3.6877 -3.4415 -3.4415 -3.0959 -3.0959 -2.9375 -2.9375 -2.6279 -2.6279 -2.6057 -2.6057 -2.3940 -2.3940 -2.2926 -2.2926 -2.1632 -2.1632 -1.9971 -1.9971 -1.7926 -1.7926 -1.7580 -1.7580 -1.4052 -1.4052 -1.3225 -1.3225 -1.1925 -1.1925 -1.1372 -1.1372 -0.3147 -0.3147 -0.2262 -0.2262 -0.0082 -0.0082 4.2027 4.2027 4.3432 4.3432 5.4098 5.4098 5.8267 5.8267 5.8678 5.8678 6.2201 6.2201 6.3273 6.3273 k = 0.5000 0.2887 0.0202 ( 16658 PWs) bands (ev): -91.3598 -91.3598 -57.0121 -57.0121 -55.2921 -55.2921 -55.2472 -55.2472 -16.4026 -16.4026 -16.4013 -16.4013 -16.2805 -16.2805 -16.0948 -16.0948 -16.0725 -16.0725 -16.0377 -16.0377 -8.1327 -8.1327 -7.9693 -7.9693 -7.8519 -7.8519 -6.8756 -6.8756 -4.8369 -4.8369 -4.7107 -4.7107 -4.4091 -4.4091 -3.7088 -3.7088 -3.6792 -3.6792 -3.4449 -3.4449 -3.0960 -3.0960 -2.9362 -2.9362 -2.6274 -2.6274 -2.6097 -2.6097 -2.3904 -2.3904 -2.2953 -2.2953 -2.1676 -2.1676 -1.9989 -1.9989 -1.7950 -1.7950 -1.7608 -1.7608 -1.4024 -1.4024 -1.3250 -1.3250 -1.1893 -1.1893 -1.1338 -1.1338 -0.3169 -0.3169 -0.2273 -0.2273 -0.0075 -0.0075 4.2023 4.2023 4.3451 4.3451 5.4074 5.4074 5.8275 5.8275 5.8706 5.8706 6.2184 6.2184 6.3212 6.3212 k = 0.5000 0.2887-0.0000 ( 16648 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.4028 -16.4028 -16.4015 -16.4015 -16.2806 -16.2806 -16.0945 -16.0945 -16.0727 -16.0727 -16.0376 -16.0376 -8.1319 -8.1319 -7.9694 -7.9694 -7.8519 -7.8519 -6.8768 -6.8768 -4.8374 -4.8374 -4.7089 -4.7089 -4.4119 -4.4119 -3.7064 -3.7064 -3.6762 -3.6762 -3.4461 -3.4461 -3.0960 -3.0960 -2.9357 -2.9357 -2.6272 -2.6272 -2.6110 -2.6110 -2.3892 -2.3892 -2.2962 -2.2962 -2.1691 -2.1691 -1.9995 -1.9995 -1.7958 -1.7958 -1.7618 -1.7618 -1.4015 -1.4015 -1.3259 -1.3259 -1.1882 -1.1882 -1.1327 -1.1327 -0.3178 -0.3178 -0.2274 -0.2274 -0.0071 -0.0071 4.2025 4.2025 4.3459 4.3459 5.4067 5.4067 5.8278 5.8278 5.8716 5.8716 6.2178 6.2178 6.3192 6.3192 k = 0.3333 0.5774-0.0000 ( 16641 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3668 -16.3668 -16.3666 -16.3666 -16.3575 -16.3575 -16.1137 -16.1137 -16.0430 -16.0430 -16.0429 -16.0429 -8.0530 -8.0530 -7.9343 -7.9343 -7.9332 -7.9332 -6.9576 -6.9576 -4.8152 -4.8152 -4.8113 -4.8113 -4.0524 -4.0524 -3.8437 -3.8437 -3.8252 -3.8252 -3.3139 -3.3139 -3.1002 -3.1002 -3.0972 -3.0972 -2.5426 -2.5426 -2.4955 -2.4955 -2.4912 -2.4912 -2.1987 -2.1987 -2.1950 -2.1950 -1.8908 -1.8908 -1.8142 -1.8142 -1.8108 -1.8108 -1.3459 -1.3459 -1.3242 -1.3242 -1.3143 -1.3143 -1.1889 -1.1889 -0.3186 -0.3186 -0.1571 -0.1571 -0.0937 -0.0937 4.2823 4.2823 4.2925 4.2925 5.5701 5.5701 5.5800 5.5800 5.5990 5.5990 6.4138 6.4138 6.6648 6.6648 k = 0.3333 0.5774 0.0202 ( 16653 PWs) bands (ev): -91.3597 -91.3597 -57.0121 -57.0121 -55.2921 -55.2921 -55.2471 -55.2471 -16.3659 -16.3659 -16.3657 -16.3657 -16.3605 -16.3605 -16.1102 -16.1102 -16.0440 -16.0440 -16.0440 -16.0440 -8.0848 -8.0848 -7.9317 -7.9317 -7.9307 -7.9307 -6.9059 -6.9059 -4.8074 -4.8074 -4.8029 -4.8029 -4.0817 -4.0817 -3.8721 -3.8721 -3.8542 -3.8542 -3.3185 -3.3185 -3.1100 -3.1100 -3.1069 -3.1069 -2.5283 -2.5283 -2.4805 -2.4805 -2.4762 -2.4762 -2.1946 -2.1946 -2.1908 -2.1908 -1.8937 -1.8937 -1.8035 -1.8035 -1.8003 -1.8003 -1.3421 -1.3421 -1.3244 -1.3244 -1.3140 -1.3140 -1.1999 -1.1999 -0.3125 -0.3125 -0.1498 -0.1498 -0.0866 -0.0866 4.2723 4.2723 4.2821 4.2821 5.5845 5.5845 5.5893 5.5893 5.6117 5.6117 6.4157 6.4157 6.6299 6.6299 k = 0.3333 0.5774 0.0403 ( 16626 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3648 -16.3648 -16.3646 -16.3646 -16.3632 -16.3632 -16.1070 -16.1070 -16.0453 -16.0453 -16.0453 -16.0453 -8.1160 -8.1160 -7.9291 -7.9291 -7.9282 -7.9282 -6.8527 -6.8527 -4.7984 -4.7984 -4.7933 -4.7933 -4.1158 -4.1158 -3.9015 -3.9015 -3.8842 -3.8842 -3.3194 -3.3194 -3.1201 -3.1201 -3.1169 -3.1169 -2.5147 -2.5147 -2.4675 -2.4675 -2.4632 -2.4632 -2.1886 -2.1886 -2.1848 -2.1848 -1.8958 -1.8958 -1.7918 -1.7918 -1.7888 -1.7888 -1.3392 -1.3392 -1.3239 -1.3239 -1.3130 -1.3130 -1.2125 -1.2125 -0.3038 -0.3038 -0.1428 -0.1428 -0.0798 -0.0798 4.2624 4.2624 4.2716 4.2716 5.5996 5.5996 5.6003 5.6003 5.6263 5.6263 6.4169 6.4169 6.5941 6.5941 k = 0.3333 0.5774 0.0605 ( 16626 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3656 -16.3656 -16.3635 -16.3635 -16.3633 -16.3633 -16.1040 -16.1040 -16.0468 -16.0468 -16.0468 -16.0468 -8.1463 -8.1463 -7.9267 -7.9267 -7.9258 -7.9258 -6.7985 -6.7985 -4.7885 -4.7885 -4.7828 -4.7828 -4.1543 -4.1543 -3.9317 -3.9317 -3.9150 -3.9150 -3.3169 -3.3169 -3.1305 -3.1305 -3.1271 -3.1271 -2.5021 -2.5021 -2.4567 -2.4567 -2.4523 -2.4523 -2.1809 -2.1809 -2.1770 -2.1770 -1.8972 -1.8972 -1.7793 -1.7793 -1.7763 -1.7763 -1.3373 -1.3373 -1.3226 -1.3226 -1.3111 -1.3111 -1.2263 -1.2263 -0.2944 -0.2944 -0.1363 -0.1363 -0.0735 -0.0735 4.2514 4.2514 4.2601 4.2601 5.6105 5.6105 5.6176 5.6176 5.6424 5.6424 6.4175 6.4175 6.5577 6.5577 k = 0.3333 0.5774 0.0807 ( 16623 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3677 -16.3677 -16.3620 -16.3620 -16.3618 -16.3618 -16.1014 -16.1014 -16.0486 -16.0486 -16.0485 -16.0485 -8.1755 -8.1755 -7.9243 -7.9243 -7.9235 -7.9235 -6.7436 -6.7436 -4.7777 -4.7777 -4.7713 -4.7713 -4.1966 -4.1966 -3.9623 -3.9623 -3.9463 -3.9463 -3.3110 -3.3110 -3.1410 -3.1410 -3.1373 -3.1373 -2.4911 -2.4911 -2.4484 -2.4484 -2.4439 -2.4439 -2.1717 -2.1717 -2.1677 -2.1677 -1.8977 -1.8977 -1.7659 -1.7659 -1.7630 -1.7630 -1.3363 -1.3363 -1.3206 -1.3206 -1.3085 -1.3085 -1.2407 -1.2407 -0.2837 -0.2837 -0.1304 -0.1304 -0.0677 -0.0677 4.2400 4.2400 4.2480 4.2480 5.6222 5.6222 5.6362 5.6362 5.6600 5.6600 6.4174 6.4174 6.5211 6.5211 k = 0.3333 0.5774 0.1008 ( 16629 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3695 -16.3695 -16.3603 -16.3603 -16.3601 -16.3601 -16.0992 -16.0992 -16.0505 -16.0505 -16.0504 -16.0504 -8.2034 -8.2034 -7.9221 -7.9221 -7.9214 -7.9214 -6.6884 -6.6884 -4.7660 -4.7660 -4.7588 -4.7588 -4.2421 -4.2421 -3.9931 -3.9931 -3.9777 -3.9777 -3.3020 -3.3020 -3.1516 -3.1516 -3.1475 -3.1475 -2.4819 -2.4819 -2.4427 -2.4427 -2.4382 -2.4382 -2.1609 -2.1609 -2.1568 -2.1568 -1.8974 -1.8974 -1.7518 -1.7518 -1.7489 -1.7489 -1.3363 -1.3363 -1.3180 -1.3180 -1.3053 -1.3053 -1.2553 -1.2553 -0.2720 -0.2720 -0.1252 -0.1252 -0.0624 -0.0624 4.2278 4.2278 4.2352 4.2352 5.6347 5.6347 5.6563 5.6563 5.6791 5.6791 6.4165 6.4165 6.4846 6.4846 k = 0.3333 0.5774 0.1210 ( 16614 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3710 -16.3710 -16.3584 -16.3584 -16.3583 -16.3583 -16.0973 -16.0973 -16.0525 -16.0525 -16.0524 -16.0524 -8.2298 -8.2298 -7.9201 -7.9201 -7.9195 -7.9195 -6.6330 -6.6330 -4.7533 -4.7533 -4.7454 -4.7454 -4.2901 -4.2901 -4.0238 -4.0238 -4.0091 -4.0091 -3.2900 -3.2900 -3.1619 -3.1619 -3.1574 -3.1574 -2.4749 -2.4749 -2.4397 -2.4397 -2.4351 -2.4351 -2.1485 -2.1485 -2.1444 -2.1444 -1.8964 -1.8964 -1.7370 -1.7370 -1.7340 -1.7340 -1.3373 -1.3373 -1.3152 -1.3152 -1.3016 -1.3016 -1.2695 -1.2695 -0.2595 -0.2595 -0.1205 -0.1205 -0.0577 -0.0577 4.2160 4.2160 4.2227 4.2227 5.6479 5.6479 5.6777 5.6777 5.6997 5.6997 6.4146 6.4146 6.4487 6.4487 k = 0.3333 0.5774 0.1412 ( 16620 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3721 -16.3721 -16.3564 -16.3564 -16.3563 -16.3563 -16.0957 -16.0957 -16.0547 -16.0547 -16.0546 -16.0546 -8.2547 -8.2547 -7.9183 -7.9183 -7.9178 -7.9178 -6.5780 -6.5780 -4.7400 -4.7400 -4.7311 -4.7311 -4.3401 -4.3401 -4.0541 -4.0541 -4.0402 -4.0402 -3.2756 -3.2756 -3.1720 -3.1720 -3.1670 -3.1670 -2.4704 -2.4704 -2.4395 -2.4395 -2.4349 -2.4349 -2.1348 -2.1348 -2.1306 -2.1306 -1.8945 -1.8945 -1.7216 -1.7216 -1.7186 -1.7186 -1.3392 -1.3392 -1.3128 -1.3128 -1.2975 -1.2975 -1.2827 -1.2827 -0.2468 -0.2468 -0.1168 -0.1168 -0.0539 -0.0539 4.2038 4.2038 4.2098 4.2098 5.6615 5.6615 5.7004 5.7004 5.7215 5.7215 6.4078 6.4078 6.4146 6.4146 k = 0.3333 0.5774 0.1613 ( 16626 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3729 -16.3729 -16.3543 -16.3543 -16.3541 -16.3541 -16.0945 -16.0945 -16.0571 -16.0571 -16.0569 -16.0569 -8.2779 -8.2779 -7.9168 -7.9168 -7.9163 -7.9163 -6.5236 -6.5236 -4.7259 -4.7259 -4.7161 -4.7161 -4.3914 -4.3914 -4.0839 -4.0839 -4.0707 -4.0707 -3.2587 -3.2587 -3.1817 -3.1817 -3.1761 -3.1761 -2.4686 -2.4686 -2.4420 -2.4420 -2.4374 -2.4374 -2.1196 -2.1196 -2.1153 -2.1153 -1.8919 -1.8919 -1.7059 -1.7059 -1.7028 -1.7028 -1.3421 -1.3421 -1.3125 -1.3125 -1.2932 -1.2932 -1.2927 -1.2927 -0.2336 -0.2336 -0.1139 -0.1139 -0.0507 -0.0507 4.1915 4.1915 4.1968 4.1968 5.6757 5.6757 5.7245 5.7245 5.7447 5.7447 6.3763 6.3763 6.3792 6.3792 k = 0.3333 0.5774 0.1815 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3733 -16.3733 -16.3520 -16.3520 -16.3519 -16.3519 -16.0937 -16.0937 -16.0595 -16.0595 -16.0594 -16.0594 -8.2994 -8.2994 -7.9155 -7.9155 -7.9151 -7.9151 -6.4701 -6.4701 -4.7113 -4.7113 -4.7004 -4.7004 -4.4435 -4.4435 -4.1128 -4.1128 -4.1004 -4.1004 -3.2400 -3.2400 -3.1908 -3.1908 -3.1843 -3.1843 -2.4696 -2.4696 -2.4472 -2.4472 -2.4425 -2.4425 -2.1030 -2.1030 -2.0986 -2.0986 -1.8885 -1.8885 -1.6901 -1.6901 -1.6869 -1.6869 -1.3460 -1.3460 -1.3182 -1.3182 -1.2959 -1.2959 -1.2889 -1.2889 -0.2205 -0.2205 -0.1118 -0.1118 -0.0483 -0.0483 4.1796 4.1796 4.1842 4.1842 5.6901 5.6901 5.7497 5.7497 5.7691 5.7691 6.3421 6.3421 6.3446 6.3446 k = 0.3333 0.5774 0.2016 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2921 -55.2921 -55.2471 -55.2471 -16.3734 -16.3734 -16.3497 -16.3497 -16.3496 -16.3496 -16.0933 -16.0933 -16.0620 -16.0620 -16.0619 -16.0619 -8.3190 -8.3190 -7.9144 -7.9144 -7.9141 -7.9141 -6.4180 -6.4180 -4.6963 -4.6963 -4.6841 -4.6841 -4.4956 -4.4956 -4.1406 -4.1406 -4.1291 -4.1291 -3.2201 -3.2201 -3.1992 -3.1992 -3.1910 -3.1910 -2.4736 -2.4736 -2.4548 -2.4548 -2.4501 -2.4501 -2.0852 -2.0852 -2.0807 -2.0807 -1.8843 -1.8843 -1.6745 -1.6745 -1.6712 -1.6712 -1.3508 -1.3508 -1.3277 -1.3277 -1.2943 -1.2943 -1.2847 -1.2847 -0.2074 -0.2074 -0.1105 -0.1105 -0.0465 -0.0465 4.1681 4.1681 4.1720 4.1720 5.7048 5.7048 5.7763 5.7763 5.7948 5.7948 6.3085 6.3085 6.3107 6.3107 k = 0.3333 0.5774 0.2218 ( 16614 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3732 -16.3732 -16.3473 -16.3473 -16.3472 -16.3472 -16.0932 -16.0932 -16.0646 -16.0646 -16.0644 -16.0644 -8.3367 -8.3367 -7.9137 -7.9137 -7.9134 -7.9134 -6.3678 -6.3678 -4.6812 -4.6812 -4.6676 -4.6676 -4.5470 -4.5470 -4.1669 -4.1669 -4.1563 -4.1563 -3.2068 -3.2068 -3.2064 -3.2064 -3.1888 -3.1888 -2.4806 -2.4806 -2.4647 -2.4647 -2.4599 -2.4599 -2.0662 -2.0662 -2.0616 -2.0616 -1.8794 -1.8794 -1.6594 -1.6594 -1.6559 -1.6559 -1.3564 -1.3564 -1.3376 -1.3376 -1.2914 -1.2914 -1.2808 -1.2808 -0.1944 -0.1944 -0.1098 -0.1098 -0.0451 -0.0451 4.1574 4.1574 4.1606 4.1606 5.7195 5.7195 5.8040 5.8040 5.8217 5.8217 6.2758 6.2758 6.2777 6.2777 k = 0.3333 0.5774 0.2420 ( 16632 PWs) bands (ev): -91.3596 -91.3596 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3726 -16.3726 -16.3449 -16.3449 -16.3448 -16.3448 -16.0936 -16.0936 -16.0672 -16.0672 -16.0670 -16.0670 -8.3525 -8.3525 -7.9132 -7.9132 -7.9130 -7.9130 -6.3198 -6.3198 -4.6669 -4.6669 -4.6511 -4.6511 -4.5965 -4.5965 -4.1916 -4.1916 -4.1820 -4.1820 -3.2136 -3.2136 -3.2087 -3.2087 -3.1682 -3.1682 -2.4904 -2.4904 -2.4765 -2.4765 -2.4717 -2.4717 -2.0461 -2.0461 -2.0414 -2.0414 -1.8738 -1.8738 -1.6450 -1.6450 -1.6415 -1.6415 -1.3630 -1.3630 -1.3468 -1.3468 -1.2885 -1.2885 -1.2773 -1.2773 -0.1822 -0.1822 -0.1103 -0.1103 -0.0448 -0.0448 4.1468 4.1468 4.1494 4.1494 5.7341 5.7341 5.8327 5.8327 5.8497 5.8497 6.2440 6.2440 6.2456 6.2456 k = 0.3333 0.5774 0.2621 ( 16626 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3717 -16.3717 -16.3425 -16.3425 -16.3425 -16.3425 -16.0943 -16.0943 -16.0698 -16.0698 -16.0695 -16.0695 -8.3663 -8.3663 -7.9131 -7.9131 -7.9129 -7.9129 -6.2749 -6.2749 -4.6606 -4.6606 -4.6363 -4.6363 -4.6348 -4.6348 -4.2140 -4.2140 -4.2055 -4.2055 -3.2194 -3.2194 -3.2131 -3.2131 -3.1428 -3.1428 -2.5029 -2.5029 -2.4901 -2.4901 -2.4853 -2.4853 -2.0250 -2.0250 -2.0202 -2.0202 -1.8674 -1.8674 -1.6318 -1.6318 -1.6281 -1.6281 -1.3705 -1.3705 -1.3552 -1.3552 -1.2860 -1.2860 -1.2744 -1.2744 -0.1703 -0.1703 -0.1116 -0.1116 -0.0448 -0.0448 4.1376 4.1376 4.1395 4.1395 5.7485 5.7485 5.8624 5.8624 5.8787 5.8787 6.2130 6.2130 6.2144 6.2144 k = 0.3333 0.5774 0.2823 ( 16608 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3705 -16.3705 -16.3401 -16.3401 -16.3401 -16.3401 -16.0955 -16.0955 -16.0723 -16.0723 -16.0721 -16.0721 -8.3780 -8.3780 -7.9132 -7.9132 -7.9131 -7.9131 -6.2335 -6.2335 -4.6956 -4.6956 -4.6330 -4.6330 -4.6194 -4.6194 -4.2339 -4.2339 -4.2264 -4.2264 -3.2241 -3.2241 -3.2169 -3.2169 -3.1156 -3.1156 -2.5178 -2.5178 -2.5051 -2.5051 -2.5004 -2.5004 -2.0032 -2.0032 -1.9983 -1.9983 -1.8603 -1.8603 -1.6198 -1.6198 -1.6160 -1.6160 -1.3787 -1.3787 -1.3626 -1.3626 -1.2841 -1.2841 -1.2723 -1.2723 -0.1590 -0.1590 -0.1134 -0.1134 -0.0451 -0.0451 4.1294 4.1294 4.1307 4.1307 5.7626 5.7626 5.8931 5.8931 5.9087 5.9087 6.1829 6.1829 6.1840 6.1840 k = 0.3333 0.5774 0.3025 ( 16587 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2471 -55.2471 -16.3689 -16.3689 -16.3378 -16.3378 -16.3378 -16.3378 -16.0970 -16.0970 -16.0747 -16.0747 -16.0745 -16.0745 -8.3877 -8.3877 -7.9137 -7.9137 -7.9136 -7.9136 -6.1966 -6.1966 -4.7367 -4.7367 -4.6212 -4.6212 -4.6054 -4.6054 -4.2505 -4.2505 -4.2439 -4.2439 -3.2276 -3.2276 -3.2196 -3.2196 -3.0871 -3.0871 -2.5350 -2.5350 -2.5212 -2.5212 -2.5169 -2.5169 -1.9807 -1.9807 -1.9757 -1.9757 -1.8525 -1.8525 -1.6094 -1.6094 -1.6054 -1.6054 -1.3878 -1.3878 -1.3692 -1.3692 -1.2830 -1.2830 -1.2710 -1.2710 -0.1487 -0.1487 -0.1160 -0.1160 -0.0456 -0.0456 4.1224 4.1224 4.1232 4.1232 5.7761 5.7761 5.9245 5.9245 5.9397 5.9397 6.1536 6.1536 6.1546 6.1546 k = 0.3333 0.5774 0.3226 ( 16614 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3670 -16.3670 -16.3356 -16.3356 -16.3356 -16.3356 -16.0988 -16.0988 -16.0770 -16.0770 -16.0768 -16.0768 -8.3954 -8.3954 -7.9144 -7.9144 -7.9143 -7.9143 -6.1649 -6.1649 -4.7740 -4.7740 -4.6108 -4.6108 -4.5936 -4.5936 -4.2636 -4.2636 -4.2578 -4.2578 -3.2300 -3.2300 -3.2212 -3.2212 -3.0576 -3.0576 -2.5543 -2.5543 -2.5383 -2.5383 -2.5345 -2.5345 -1.9578 -1.9578 -1.9526 -1.9526 -1.8441 -1.8441 -1.6008 -1.6008 -1.5965 -1.5965 -1.3976 -1.3976 -1.3752 -1.3752 -1.2828 -1.2828 -1.2707 -1.2707 -0.1403 -0.1403 -0.1198 -0.1198 -0.0466 -0.0466 4.1159 4.1159 4.1162 4.1162 5.7886 5.7886 5.9564 5.9564 5.9712 5.9712 6.1251 6.1251 6.1260 6.1260 k = 0.3333 0.5774 0.3428 ( 16620 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3648 -16.3648 -16.3336 -16.3336 -16.3336 -16.3336 -16.1011 -16.1011 -16.0792 -16.0792 -16.0789 -16.0789 -8.4009 -8.4009 -7.9155 -7.9155 -7.9154 -7.9154 -6.1394 -6.1394 -4.8060 -4.8060 -4.6028 -4.6028 -4.5847 -4.5847 -4.2722 -4.2722 -4.2668 -4.2668 -3.2310 -3.2310 -3.2215 -3.2215 -3.0272 -3.0272 -2.5752 -2.5752 -2.5561 -2.5561 -2.5529 -2.5529 -1.9346 -1.9346 -1.9293 -1.9293 -1.8350 -1.8350 -1.5939 -1.5939 -1.5895 -1.5895 -1.4082 -1.4082 -1.3805 -1.3805 -1.2838 -1.2838 -1.2715 -1.2715 -0.1329 -0.1329 -0.1240 -0.1240 -0.0472 -0.0472 4.1108 4.1108 4.1109 4.1109 5.8004 5.8004 5.9883 5.9883 6.0033 6.0033 6.0975 6.0975 6.0988 6.0988 k = 0.3333 0.5774 0.3630 ( 16611 PWs) bands (ev): -91.3595 -91.3595 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3623 -16.3623 -16.3317 -16.3317 -16.3317 -16.3317 -16.1036 -16.1036 -16.0812 -16.0812 -16.0809 -16.0809 -8.4044 -8.4044 -7.9168 -7.9168 -7.9167 -7.9167 -6.1209 -6.1209 -4.8316 -4.8316 -4.5980 -4.5980 -4.5795 -4.5795 -4.2756 -4.2756 -4.2703 -4.2703 -3.2308 -3.2308 -3.2204 -3.2204 -2.9960 -2.9960 -2.5977 -2.5977 -2.5743 -2.5743 -2.5719 -2.5719 -1.9114 -1.9114 -1.9060 -1.9060 -1.8253 -1.8253 -1.5889 -1.5889 -1.5842 -1.5842 -1.4194 -1.4194 -1.3854 -1.3854 -1.2859 -1.2859 -1.2736 -1.2736 -0.1288 -0.1288 -0.1272 -0.1272 -0.0473 -0.0473 4.1072 4.1072 4.1077 4.1077 5.8112 5.8112 6.0177 6.0177 6.0341 6.0341 6.0724 6.0724 6.0752 6.0752 k = 0.3333 0.5774 0.3831 ( 16599 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3596 -16.3596 -16.3300 -16.3300 -16.3300 -16.3300 -16.1066 -16.1066 -16.0829 -16.0829 -16.0826 -16.0826 -8.4057 -8.4057 -7.9183 -7.9183 -7.9182 -7.9182 -6.1102 -6.1102 -4.8501 -4.8501 -4.5968 -4.5968 -4.5784 -4.5784 -4.2737 -4.2737 -4.2680 -4.2680 -3.2292 -3.2292 -3.2180 -3.2180 -2.9643 -2.9643 -2.6215 -2.6215 -2.5929 -2.5929 -2.5912 -2.5912 -1.8884 -1.8884 -1.8828 -1.8828 -1.8150 -1.8150 -1.5858 -1.5858 -1.5808 -1.5808 -1.4312 -1.4312 -1.3899 -1.3899 -1.2894 -1.2894 -1.2771 -1.2771 -0.1339 -0.1339 -0.1234 -0.1234 -0.0465 -0.0465 4.1051 4.1051 4.1058 4.1058 5.8206 5.8206 6.0265 6.0265 6.0374 6.0374 6.0731 6.0731 6.0758 6.0758 k = 0.3333 0.5774 0.4033 ( 16593 PWs) bands (ev): -91.3593 -91.3593 -57.0120 -57.0120 -55.2920 -55.2920 -55.2470 -55.2470 -16.3565 -16.3565 -16.3285 -16.3285 -16.3285 -16.3285 -16.1098 -16.1098 -16.0844 -16.0844 -16.0841 -16.0841 -8.4050 -8.4050 -7.9201 -7.9201 -7.9200 -7.9200 -6.1078 -6.1078 -4.8608 -4.8608 -4.5991 -4.5991 -4.5813 -4.5813 -4.2666 -4.2666 -4.2601 -4.2601 -3.2262 -3.2262 -3.2142 -3.2142 -2.9322 -2.9322 -2.6464 -2.6464 -2.6115 -2.6115 -2.6106 -2.6106 -1.8659 -1.8659 -1.8602 -1.8602 -1.8042 -1.8042 -1.5844 -1.5844 -1.5791 -1.5791 -1.4436 -1.4436 -1.3942 -1.3942 -1.2943 -1.2943 -1.2820 -1.2820 -0.1394 -0.1394 -0.1216 -0.1216 -0.0451 -0.0451 4.1043 4.1043 4.1053 4.1053 5.8285 5.8285 6.0065 6.0065 6.0129 6.0129 6.1006 6.1006 6.1078 6.1078 k = 0.3333 0.5774 0.4235 ( 16599 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3532 -16.3532 -16.3273 -16.3273 -16.3273 -16.3273 -16.1133 -16.1133 -16.0856 -16.0856 -16.0853 -16.0853 -8.4021 -8.4021 -7.9221 -7.9221 -7.9220 -7.9220 -6.1140 -6.1140 -4.8634 -4.8634 -4.6046 -4.6046 -4.5877 -4.5877 -4.2548 -4.2548 -4.2471 -4.2471 -3.2219 -3.2219 -3.2090 -3.2090 -2.9000 -2.9000 -2.6720 -2.6720 -2.6301 -2.6301 -2.6299 -2.6299 -1.8443 -1.8443 -1.8384 -1.8384 -1.7928 -1.7928 -1.5845 -1.5845 -1.5789 -1.5789 -1.4565 -1.4565 -1.3983 -1.3983 -1.3007 -1.3007 -1.2884 -1.2884 -0.1454 -0.1454 -0.1217 -0.1217 -0.0431 -0.0431 4.1047 4.1047 4.1059 4.1059 5.8346 5.8346 5.9809 5.9809 5.9868 5.9868 6.1341 6.1341 6.1421 6.1421 k = 0.3333 0.5774 0.4436 ( 16587 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2470 -55.2470 -16.3497 -16.3497 -16.3264 -16.3264 -16.3264 -16.3264 -16.1172 -16.1172 -16.0865 -16.0865 -16.0862 -16.0862 -8.3971 -8.3971 -7.9243 -7.9243 -7.9241 -7.9241 -6.1285 -6.1285 -4.8581 -4.8581 -4.6128 -4.6128 -4.5969 -4.5969 -4.2387 -4.2387 -4.2296 -4.2296 -3.2161 -3.2161 -3.2024 -3.2024 -2.8680 -2.8680 -2.6982 -2.6982 -2.6490 -2.6490 -2.6484 -2.6484 -1.8241 -1.8241 -1.8180 -1.8180 -1.7809 -1.7809 -1.5858 -1.5858 -1.5799 -1.5799 -1.4699 -1.4699 -1.4022 -1.4022 -1.3086 -1.3086 -1.2963 -1.2963 -0.1515 -0.1515 -0.1233 -0.1233 -0.0410 -0.0410 4.1074 4.1074 4.1086 4.1086 5.8387 5.8387 5.9544 5.9544 5.9606 5.9606 6.1691 6.1691 6.1770 6.1770 k = 0.3333 0.5774 0.4638 ( 16587 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2470 -55.2470 -16.3460 -16.3460 -16.3258 -16.3258 -16.3258 -16.3258 -16.1212 -16.1212 -16.0871 -16.0871 -16.0868 -16.0868 -8.3901 -8.3901 -7.9266 -7.9266 -7.9264 -7.9264 -6.1509 -6.1509 -4.8453 -4.8453 -4.6229 -4.6229 -4.6082 -4.6082 -4.2193 -4.2193 -4.2088 -4.2088 -3.2091 -3.2091 -3.1944 -3.1944 -2.8366 -2.8366 -2.7244 -2.7244 -2.6677 -2.6677 -2.6664 -2.6664 -1.8060 -1.8060 -1.7997 -1.7997 -1.7687 -1.7687 -1.5876 -1.5876 -1.5815 -1.5815 -1.4837 -1.4837 -1.4060 -1.4060 -1.3179 -1.3179 -1.3057 -1.3057 -0.1580 -0.1580 -0.1261 -0.1261 -0.0385 -0.0385 4.1109 4.1109 4.1122 4.1122 5.8408 5.8408 5.9275 5.9275 5.9343 5.9343 6.2046 6.2046 6.2122 6.2122 k = 0.3333 0.5774 0.4840 ( 16581 PWs) bands (ev): -91.3592 -91.3592 -57.0119 -57.0119 -55.2920 -55.2920 -55.2470 -55.2470 -16.3420 -16.3420 -16.3255 -16.3255 -16.3254 -16.3254 -16.1255 -16.1255 -16.0873 -16.0873 -16.0870 -16.0870 -8.3809 -8.3809 -7.9291 -7.9291 -7.9289 -7.9289 -6.1805 -6.1805 -4.8258 -4.8258 -4.6343 -4.6343 -4.6209 -4.6209 -4.1971 -4.1971 -4.1851 -4.1851 -3.2008 -3.2008 -3.1852 -3.1852 -2.8070 -2.8070 -2.7494 -2.7494 -2.6860 -2.6860 -2.6838 -2.6838 -1.7906 -1.7906 -1.7843 -1.7843 -1.7560 -1.7560 -1.5895 -1.5895 -1.5832 -1.5832 -1.4978 -1.4978 -1.4097 -1.4097 -1.3286 -1.3286 -1.3165 -1.3165 -0.1644 -0.1644 -0.1298 -0.1298 -0.0365 -0.0365 4.1162 4.1162 4.1174 4.1174 5.8405 5.8405 5.9006 5.9006 5.9084 5.9084 6.2404 6.2404 6.2476 6.2476 k = 0.3333 0.5774 0.5041 ( 16572 PWs) bands (ev): -91.3592 -91.3592 -57.0119 -57.0119 -55.2920 -55.2920 -55.2470 -55.2470 -16.3380 -16.3380 -16.3255 -16.3255 -16.3255 -16.3255 -16.1300 -16.1300 -16.0872 -16.0872 -16.0869 -16.0869 -8.3698 -8.3698 -7.9317 -7.9317 -7.9314 -7.9314 -6.2163 -6.2163 -4.8005 -4.8005 -4.6466 -4.6466 -4.6345 -4.6345 -4.1727 -4.1727 -4.1594 -4.1594 -3.1913 -3.1913 -3.1747 -3.1747 -2.7910 -2.7910 -2.7615 -2.7615 -2.7036 -2.7036 -2.7007 -2.7007 -1.7790 -1.7790 -1.7727 -1.7727 -1.7431 -1.7431 -1.5905 -1.5905 -1.5842 -1.5842 -1.5122 -1.5122 -1.4131 -1.4131 -1.3405 -1.3405 -1.3285 -1.3285 -0.1709 -0.1709 -0.1341 -0.1341 -0.0349 -0.0349 4.1227 4.1227 4.1238 4.1238 5.8376 5.8376 5.8737 5.8737 5.8829 5.8829 6.2763 6.2763 6.2809 6.2809 k = 0.3333 0.5774 0.5243 ( 16584 PWs) bands (ev): -91.3593 -91.3593 -57.0119 -57.0119 -55.2920 -55.2920 -55.2470 -55.2470 -16.3338 -16.3338 -16.3258 -16.3258 -16.3258 -16.3258 -16.1347 -16.1347 -16.0868 -16.0868 -16.0865 -16.0865 -8.3566 -8.3566 -7.9343 -7.9343 -7.9339 -7.9339 -6.2574 -6.2574 -4.7704 -4.7704 -4.6594 -4.6594 -4.6485 -4.6485 -4.1467 -4.1467 -4.1321 -4.1321 -3.1806 -3.1806 -3.1630 -3.1630 -2.8099 -2.8099 -2.7400 -2.7400 -2.7201 -2.7201 -2.7168 -2.7168 -1.7720 -1.7720 -1.7661 -1.7661 -1.7300 -1.7300 -1.5900 -1.5900 -1.5840 -1.5840 -1.5267 -1.5267 -1.4162 -1.4162 -1.3530 -1.3530 -1.3412 -1.3412 -0.1775 -0.1775 -0.1390 -0.1390 -0.0345 -0.0345 4.1303 4.1303 4.1312 4.1312 5.8312 5.8312 5.8469 5.8469 5.8586 5.8586 6.2784 6.2784 6.3122 6.3122 k = 0.3333 0.5774 0.5445 ( 16596 PWs) bands (ev): -91.3594 -91.3594 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3295 -16.3295 -16.3265 -16.3265 -16.3264 -16.3264 -16.1394 -16.1394 -16.0860 -16.0860 -16.0858 -16.0858 -8.3415 -8.3415 -7.9369 -7.9369 -7.9365 -7.9365 -6.3029 -6.3029 -4.7365 -4.7365 -4.6720 -4.6720 -4.6627 -4.6627 -4.1194 -4.1194 -4.1035 -4.1035 -3.1689 -3.1689 -3.1503 -3.1503 -2.8348 -2.8348 -2.7373 -2.7373 -2.7320 -2.7320 -2.7118 -2.7118 -1.7703 -1.7703 -1.7651 -1.7651 -1.7167 -1.7167 -1.5877 -1.5877 -1.5824 -1.5824 -1.5412 -1.5412 -1.4189 -1.4189 -1.3658 -1.3658 -1.3543 -1.3543 -0.1842 -0.1842 -0.1443 -0.1443 -0.0348 -0.0348 4.1391 4.1391 4.1397 4.1397 5.8190 5.8190 5.8202 5.8202 5.8381 5.8381 6.2760 6.2760 6.3480 6.3480 k = 0.3333 0.5774 0.5646 ( 16590 PWs) bands (ev): -91.3593 -91.3593 -57.0120 -57.0120 -55.2920 -55.2920 -55.2471 -55.2471 -16.3274 -16.3274 -16.3274 -16.3274 -16.3252 -16.3252 -16.1442 -16.1442 -16.0849 -16.0849 -16.0847 -16.0847 -8.3245 -8.3245 -7.9396 -7.9396 -7.9391 -7.9391 -6.3520 -6.3520 -4.7027 -4.7027 -4.6814 -4.6814 -4.6769 -4.6769 -4.0911 -4.0911 -4.0740 -4.0740 -3.1563 -3.1563 -3.1366 -3.1366 -2.8600 -2.8600 -2.7521 -2.7521 -2.7462 -2.7462 -2.6858 -2.6858 -1.7739 -1.7739 -1.7697 -1.7697 -1.7035 -1.7035 -1.5844 -1.5844 -1.5798 -1.5798 -1.5555 -1.5555 -1.4210 -1.4210 -1.3778 -1.3778 -1.3669 -1.3669 -0.1906 -0.1906 -0.1495 -0.1495 -0.0360 -0.0360 4.1493 4.1493 4.1495 4.1495 5.7939 5.7939 5.7988 5.7988 5.8239 5.8239 6.2750 6.2750 6.3837 6.3837 Writing output data file CoH3xCNx6.save init_run : 0.29s CPU 0.42s WALL ( 1 calls) electrons : 474.89s CPU 479.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 474.88s CPU 479.78s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.14s WALL ( 251 calls) cegterg : 434.08s CPU 437.93s WALL ( 425 calls) Called by sum_band: Called by *egterg: h_psi : 259.10s CPU 263.05s WALL ( 7015 calls) s_psi : 11.20s CPU 11.16s WALL ( 7015 calls) g_psi : 0.60s CPU 0.58s WALL ( 6339 calls) cdiaghg : 137.00s CPU 137.18s WALL ( 6590 calls) cegterg:over : 24.67s CPU 24.48s WALL ( 6339 calls) cegterg:upda : 19.51s CPU 19.85s WALL ( 6339 calls) cegterg:last : 10.49s CPU 10.44s WALL ( 927 calls) cdiaghg:chol : 6.17s CPU 6.09s WALL ( 6590 calls) cdiaghg:inve : 4.34s CPU 4.53s WALL ( 6590 calls) cdiaghg:para : 8.44s CPU 8.63s WALL ( 13180 calls) Called by h_psi: h_psi:vloc : 230.48s CPU 234.18s WALL ( 7015 calls) h_psi:vnl : 27.86s CPU 28.22s WALL ( 7015 calls) add_vuspsi : 12.05s CPU 12.21s WALL ( 7015 calls) General routines calbec : 15.79s CPU 15.99s WALL ( 7015 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 222.88s CPU 226.45s WALL ( 1053948 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.28s WALL ( 502 calls) Parallel routines fft_scatter : 135.80s CPU 137.33s WALL ( 1053971 calls) PWSCF : 9m 0.08s CPU 9m32.49s WALL This run was terminated on: 4:38:24 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=