Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:44:41 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: ./Cs2S.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 45 45 12 2849 2849 400 Max 47 47 13 2855 2855 408 Sum 3253 3253 877 205367 205367 29173 bravais-lattice index = 14 lattice parameter (alat) = 12.1131 a.u. unit-cell volume = 2122.7334 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.113144 celldm(2)= 1.000000 celldm(3)= 1.379095 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 1.379095 ) 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 0.725113 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Cs 9.00 132.90550 Cs( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6895476 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6895476 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6895476 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6895476 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6895476 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6895476 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 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 = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 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 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6895476 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6895476 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6895476 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6895476 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6895476 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6895476 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 221 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 2) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0045249 k( 3) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0045249 k( 4) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0045249 k( 5) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0045249 k( 6) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0045249 k( 7) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0045249 k( 8) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0045249 k( 9) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0045249 k( 10) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0045249 k( 11) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0045249 k( 12) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0045249 k( 13) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0045249 k( 14) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0045249 k( 15) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0045249 k( 16) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0045249 k( 17) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0045249 k( 18) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0045249 k( 19) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0045249 k( 20) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0045249 k( 21) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0045249 k( 22) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0045249 k( 23) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0045249 k( 24) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0045249 k( 25) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0045249 k( 26) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0045249 k( 27) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0045249 k( 28) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0045249 k( 29) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0045249 k( 30) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045249 k( 31) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045249 k( 32) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0045249 k( 33) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0045249 k( 34) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0045249 k( 35) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0045249 k( 36) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0045249 k( 37) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0045249 k( 38) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0045249 k( 39) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0045249 k( 40) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0045249 k( 41) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0045249 k( 42) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0045249 k( 43) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0045249 k( 44) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0045249 k( 45) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0045249 k( 46) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0045249 k( 47) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0045249 k( 48) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045249 k( 49) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045249 k( 50) = ( 0.3232323 0.5598548 -0.0000000), wk = 0.0045249 k( 51) = ( 0.3131313 0.5423593 -0.0000000), wk = 0.0045249 k( 52) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0045249 k( 53) = ( 0.2929293 0.5073684 -0.0000000), wk = 0.0045249 k( 54) = ( 0.2828283 0.4898730 -0.0000000), wk = 0.0045249 k( 55) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0045249 k( 56) = ( 0.2626263 0.4548820 -0.0000000), wk = 0.0045249 k( 57) = ( 0.2525252 0.4373866 -0.0000000), wk = 0.0045249 k( 58) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0045249 k( 59) = ( 0.2323232 0.4023956 -0.0000000), wk = 0.0045249 k( 60) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0045249 k( 61) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0045249 k( 62) = ( 0.2020202 0.3499093 -0.0000000), wk = 0.0045249 k( 63) = ( 0.1919192 0.3324138 -0.0000000), wk = 0.0045249 k( 64) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0045249 k( 65) = ( 0.1717172 0.2974229 -0.0000000), wk = 0.0045249 k( 66) = ( 0.1616162 0.2799274 -0.0000000), wk = 0.0045249 k( 67) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0045249 k( 68) = ( 0.1414141 0.2449365 -0.0000000), wk = 0.0045249 k( 69) = ( 0.1313131 0.2274410 -0.0000000), wk = 0.0045249 k( 70) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0045249 k( 71) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0045249 k( 72) = ( 0.1010101 0.1749546 -0.0000000), wk = 0.0045249 k( 73) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0045249 k( 74) = ( 0.0808081 0.1399637 -0.0000000), wk = 0.0045249 k( 75) = ( 0.0707071 0.1224682 -0.0000000), wk = 0.0045249 k( 76) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0045249 k( 77) = ( 0.0505051 0.0874773 -0.0000000), wk = 0.0045249 k( 78) = ( 0.0404040 0.0699819 -0.0000000), wk = 0.0045249 k( 79) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0045249 k( 80) = ( 0.0202020 0.0349909 -0.0000000), wk = 0.0045249 k( 81) = ( 0.0101010 0.0174955 -0.0000000), wk = 0.0045249 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 84) = ( 0.0000000 0.0000000 0.0201420), wk = 0.0045249 k( 85) = ( 0.0000000 0.0000000 0.0402841), wk = 0.0045249 k( 86) = ( 0.0000000 0.0000000 0.0604261), wk = 0.0045249 k( 87) = ( 0.0000000 0.0000000 0.0805681), wk = 0.0045249 k( 88) = ( 0.0000000 0.0000000 0.1007102), wk = 0.0045249 k( 89) = ( 0.0000000 0.0000000 0.1208522), wk = 0.0045249 k( 90) = ( 0.0000000 0.0000000 0.1409942), wk = 0.0045249 k( 91) = ( 0.0000000 0.0000000 0.1611362), wk = 0.0045249 k( 92) = ( 0.0000000 0.0000000 0.1812783), wk = 0.0045249 k( 93) = ( 0.0000000 0.0000000 0.2014203), wk = 0.0045249 k( 94) = ( 0.0000000 0.0000000 0.2215623), wk = 0.0045249 k( 95) = ( 0.0000000 0.0000000 0.2417044), wk = 0.0045249 k( 96) = ( 0.0000000 0.0000000 0.2618464), wk = 0.0045249 k( 97) = ( 0.0000000 0.0000000 0.2819884), wk = 0.0045249 k( 98) = ( 0.0000000 0.0000000 0.3021305), wk = 0.0045249 k( 99) = ( 0.0000000 0.0000000 0.3222725), wk = 0.0045249 k( 100) = ( 0.0000000 0.0000000 0.3424145), wk = 0.0045249 k( 101) = ( 0.0000000 0.0000000 0.3625566), wk = 0.0045249 k( 102) = ( 0.0000000 0.0000000 0.3625566), wk = 0.0045249 k( 103) = ( 0.0172414 0.0099543 0.3625566), wk = 0.0045249 k( 104) = ( 0.0344828 0.0199086 0.3625566), wk = 0.0045249 k( 105) = ( 0.0517241 0.0298629 0.3625566), wk = 0.0045249 k( 106) = ( 0.0689655 0.0398173 0.3625566), wk = 0.0045249 k( 107) = ( 0.0862069 0.0497716 0.3625566), wk = 0.0045249 k( 108) = ( 0.1034483 0.0597259 0.3625566), wk = 0.0045249 k( 109) = ( 0.1206897 0.0696802 0.3625566), wk = 0.0045249 k( 110) = ( 0.1379310 0.0796345 0.3625566), wk = 0.0045249 k( 111) = ( 0.1551724 0.0895888 0.3625566), wk = 0.0045249 k( 112) = ( 0.1724138 0.0995431 0.3625566), wk = 0.0045249 k( 113) = ( 0.1896552 0.1094975 0.3625566), wk = 0.0045249 k( 114) = ( 0.2068966 0.1194518 0.3625566), wk = 0.0045249 k( 115) = ( 0.2241379 0.1294061 0.3625566), wk = 0.0045249 k( 116) = ( 0.2413793 0.1393604 0.3625566), wk = 0.0045249 k( 117) = ( 0.2586207 0.1493147 0.3625566), wk = 0.0045249 k( 118) = ( 0.2758621 0.1592690 0.3625566), wk = 0.0045249 k( 119) = ( 0.2931034 0.1692234 0.3625566), wk = 0.0045249 k( 120) = ( 0.3103448 0.1791777 0.3625566), wk = 0.0045249 k( 121) = ( 0.3275862 0.1891320 0.3625566), wk = 0.0045249 k( 122) = ( 0.3448276 0.1990863 0.3625566), wk = 0.0045249 k( 123) = ( 0.3620690 0.2090406 0.3625566), wk = 0.0045249 k( 124) = ( 0.3793103 0.2189949 0.3625566), wk = 0.0045249 k( 125) = ( 0.3965517 0.2289492 0.3625566), wk = 0.0045249 k( 126) = ( 0.4137931 0.2389036 0.3625566), wk = 0.0045249 k( 127) = ( 0.4310345 0.2488579 0.3625566), wk = 0.0045249 k( 128) = ( 0.4482759 0.2588122 0.3625566), wk = 0.0045249 k( 129) = ( 0.4655172 0.2687665 0.3625566), wk = 0.0045249 k( 130) = ( 0.4827586 0.2787208 0.3625566), wk = 0.0045249 k( 131) = ( 0.5000000 0.2886751 0.3625566), wk = 0.0045249 k( 132) = ( 0.5000000 0.2886751 0.3625566), wk = 0.0045249 k( 133) = ( 0.4901961 0.3056560 0.3625566), wk = 0.0045249 k( 134) = ( 0.4803922 0.3226369 0.3625566), wk = 0.0045249 k( 135) = ( 0.4705882 0.3396178 0.3625566), wk = 0.0045249 k( 136) = ( 0.4607843 0.3565987 0.3625566), wk = 0.0045249 k( 137) = ( 0.4509804 0.3735796 0.3625566), wk = 0.0045249 k( 138) = ( 0.4411765 0.3905605 0.3625566), wk = 0.0045249 k( 139) = ( 0.4313726 0.4075414 0.3625566), wk = 0.0045249 k( 140) = ( 0.4215686 0.4245223 0.3625566), wk = 0.0045249 k( 141) = ( 0.4117647 0.4415032 0.3625566), wk = 0.0045249 k( 142) = ( 0.4019608 0.4584840 0.3625566), wk = 0.0045249 k( 143) = ( 0.3921569 0.4754649 0.3625566), wk = 0.0045249 k( 144) = ( 0.3823529 0.4924458 0.3625566), wk = 0.0045249 k( 145) = ( 0.3725490 0.5094267 0.3625566), wk = 0.0045249 k( 146) = ( 0.3627451 0.5264076 0.3625566), wk = 0.0045249 k( 147) = ( 0.3529412 0.5433885 0.3625566), wk = 0.0045249 k( 148) = ( 0.3431373 0.5603694 0.3625566), wk = 0.0045249 k( 149) = ( 0.3333333 0.5773503 0.3625566), wk = 0.0045249 k( 150) = ( 0.3333333 0.5773503 0.3625566), wk = 0.0045249 k( 151) = ( 0.3232323 0.5598548 0.3625566), wk = 0.0045249 k( 152) = ( 0.3131313 0.5423593 0.3625566), wk = 0.0045249 k( 153) = ( 0.3030303 0.5248639 0.3625566), wk = 0.0045249 k( 154) = ( 0.2929293 0.5073684 0.3625566), wk = 0.0045249 k( 155) = ( 0.2828283 0.4898730 0.3625566), wk = 0.0045249 k( 156) = ( 0.2727273 0.4723775 0.3625566), wk = 0.0045249 k( 157) = ( 0.2626263 0.4548820 0.3625566), wk = 0.0045249 k( 158) = ( 0.2525252 0.4373866 0.3625566), wk = 0.0045249 k( 159) = ( 0.2424242 0.4198911 0.3625566), wk = 0.0045249 k( 160) = ( 0.2323232 0.4023956 0.3625566), wk = 0.0045249 k( 161) = ( 0.2222222 0.3849002 0.3625566), wk = 0.0045249 k( 162) = ( 0.2121212 0.3674047 0.3625566), wk = 0.0045249 k( 163) = ( 0.2020202 0.3499093 0.3625566), wk = 0.0045249 k( 164) = ( 0.1919192 0.3324138 0.3625566), wk = 0.0045249 k( 165) = ( 0.1818182 0.3149183 0.3625566), wk = 0.0045249 k( 166) = ( 0.1717172 0.2974229 0.3625566), wk = 0.0045249 k( 167) = ( 0.1616162 0.2799274 0.3625566), wk = 0.0045249 k( 168) = ( 0.1515151 0.2624319 0.3625566), wk = 0.0045249 k( 169) = ( 0.1414141 0.2449365 0.3625566), wk = 0.0045249 k( 170) = ( 0.1313131 0.2274410 0.3625566), wk = 0.0045249 k( 171) = ( 0.1212121 0.2099456 0.3625566), wk = 0.0045249 k( 172) = ( 0.1111111 0.1924501 0.3625566), wk = 0.0045249 k( 173) = ( 0.1010101 0.1749546 0.3625566), wk = 0.0045249 k( 174) = ( 0.0909091 0.1574592 0.3625566), wk = 0.0045249 k( 175) = ( 0.0808081 0.1399637 0.3625566), wk = 0.0045249 k( 176) = ( 0.0707071 0.1224682 0.3625566), wk = 0.0045249 k( 177) = ( 0.0606061 0.1049728 0.3625566), wk = 0.0045249 k( 178) = ( 0.0505051 0.0874773 0.3625566), wk = 0.0045249 k( 179) = ( 0.0404040 0.0699819 0.3625566), wk = 0.0045249 k( 180) = ( 0.0303030 0.0524864 0.3625566), wk = 0.0045249 k( 181) = ( 0.0202020 0.0349909 0.3625566), wk = 0.0045249 k( 182) = ( 0.0101010 0.0174955 0.3625566), wk = 0.0045249 k( 183) = ( 0.0000000 0.0000000 0.3625566), wk = 0.0045249 k( 184) = ( 0.5000000 0.2886751 0.3625566), wk = 0.0045249 k( 185) = ( 0.5000000 0.2886751 0.3424145), wk = 0.0045249 k( 186) = ( 0.5000000 0.2886751 0.3222725), wk = 0.0045249 k( 187) = ( 0.5000000 0.2886751 0.3021305), wk = 0.0045249 k( 188) = ( 0.5000000 0.2886751 0.2819884), wk = 0.0045249 k( 189) = ( 0.5000000 0.2886751 0.2618464), wk = 0.0045249 k( 190) = ( 0.5000000 0.2886751 0.2417044), wk = 0.0045249 k( 191) = ( 0.5000000 0.2886751 0.2215623), wk = 0.0045249 k( 192) = ( 0.5000000 0.2886751 0.2014203), wk = 0.0045249 k( 193) = ( 0.5000000 0.2886751 0.1812783), wk = 0.0045249 k( 194) = ( 0.5000000 0.2886751 0.1611362), wk = 0.0045249 k( 195) = ( 0.5000000 0.2886751 0.1409942), wk = 0.0045249 k( 196) = ( 0.5000000 0.2886751 0.1208522), wk = 0.0045249 k( 197) = ( 0.5000000 0.2886751 0.1007102), wk = 0.0045249 k( 198) = ( 0.5000000 0.2886751 0.0805681), wk = 0.0045249 k( 199) = ( 0.5000000 0.2886751 0.0604261), wk = 0.0045249 k( 200) = ( 0.5000000 0.2886751 0.0402841), wk = 0.0045249 k( 201) = ( 0.5000000 0.2886751 0.0201420), wk = 0.0045249 k( 202) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045249 k( 203) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045249 k( 204) = ( 0.3333333 0.5773503 0.0201420), wk = 0.0045249 k( 205) = ( 0.3333333 0.5773503 0.0402841), wk = 0.0045249 k( 206) = ( 0.3333333 0.5773503 0.0604261), wk = 0.0045249 k( 207) = ( 0.3333333 0.5773503 0.0805681), wk = 0.0045249 k( 208) = ( 0.3333333 0.5773503 0.1007102), wk = 0.0045249 k( 209) = ( 0.3333333 0.5773503 0.1208522), wk = 0.0045249 k( 210) = ( 0.3333333 0.5773503 0.1409942), wk = 0.0045249 k( 211) = ( 0.3333333 0.5773503 0.1611362), wk = 0.0045249 k( 212) = ( 0.3333333 0.5773503 0.1812783), wk = 0.0045249 k( 213) = ( 0.3333333 0.5773503 0.2014203), wk = 0.0045249 k( 214) = ( 0.3333333 0.5773503 0.2215623), wk = 0.0045249 k( 215) = ( 0.3333333 0.5773503 0.2417044), wk = 0.0045249 k( 216) = ( 0.3333333 0.5773503 0.2618464), wk = 0.0045249 k( 217) = ( 0.3333333 0.5773503 0.2819884), wk = 0.0045249 k( 218) = ( 0.3333333 0.5773503 0.3021305), wk = 0.0045249 k( 219) = ( 0.3333333 0.5773503 0.3222725), wk = 0.0045249 k( 220) = ( 0.3333333 0.5773503 0.3424145), wk = 0.0045249 k( 221) = ( 0.3333333 0.5773503 0.3625566), wk = 0.0045249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 2) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0045249 k( 3) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0045249 k( 4) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0045249 k( 5) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0045249 k( 6) = ( 0.0862069 -0.0000000 0.0000000), wk = 0.0045249 k( 7) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0045249 k( 8) = ( 0.1206897 -0.0000000 0.0000000), wk = 0.0045249 k( 9) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0045249 k( 10) = ( 0.1551724 -0.0000000 0.0000000), wk = 0.0045249 k( 11) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0045249 k( 12) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0045249 k( 13) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0045249 k( 14) = ( 0.2241379 -0.0000000 0.0000000), wk = 0.0045249 k( 15) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0045249 k( 16) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0045249 k( 17) = ( 0.2758621 -0.0000000 0.0000000), wk = 0.0045249 k( 18) = ( 0.2931034 -0.0000000 0.0000000), wk = 0.0045249 k( 19) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0045249 k( 20) = ( 0.3275862 -0.0000000 0.0000000), wk = 0.0045249 k( 21) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0045249 k( 22) = ( 0.3620690 -0.0000000 0.0000000), wk = 0.0045249 k( 23) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0045249 k( 24) = ( 0.3965517 -0.0000000 0.0000000), wk = 0.0045249 k( 25) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0045249 k( 26) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0045249 k( 27) = ( 0.4482759 -0.0000000 0.0000000), wk = 0.0045249 k( 28) = ( 0.4655172 -0.0000000 0.0000000), wk = 0.0045249 k( 29) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0045249 k( 30) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0045249 k( 31) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0045249 k( 32) = ( 0.4901961 0.0196078 0.0000000), wk = 0.0045249 k( 33) = ( 0.4803922 0.0392157 -0.0000000), wk = 0.0045249 k( 34) = ( 0.4705882 0.0588235 0.0000000), wk = 0.0045249 k( 35) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0045249 k( 36) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0045249 k( 37) = ( 0.4411765 0.1176471 0.0000000), wk = 0.0045249 k( 38) = ( 0.4313726 0.1372549 -0.0000000), wk = 0.0045249 k( 39) = ( 0.4215686 0.1568627 -0.0000000), wk = 0.0045249 k( 40) = ( 0.4117647 0.1764706 -0.0000000), wk = 0.0045249 k( 41) = ( 0.4019608 0.1960784 0.0000000), wk = 0.0045249 k( 42) = ( 0.3921569 0.2156863 -0.0000000), wk = 0.0045249 k( 43) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0045249 k( 44) = ( 0.3725490 0.2549020 0.0000000), wk = 0.0045249 k( 45) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0045249 k( 46) = ( 0.3529412 0.2941177 -0.0000000), wk = 0.0045249 k( 47) = ( 0.3431373 0.3137255 -0.0000000), wk = 0.0045249 k( 48) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0045249 k( 49) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0045249 k( 50) = ( 0.3232323 0.3232323 0.0000000), wk = 0.0045249 k( 51) = ( 0.3131313 0.3131313 0.0000000), wk = 0.0045249 k( 52) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0045249 k( 53) = ( 0.2929293 0.2929293 0.0000000), wk = 0.0045249 k( 54) = ( 0.2828283 0.2828283 -0.0000000), wk = 0.0045249 k( 55) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0045249 k( 56) = ( 0.2626263 0.2626263 0.0000000), wk = 0.0045249 k( 57) = ( 0.2525252 0.2525252 0.0000000), wk = 0.0045249 k( 58) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0045249 k( 59) = ( 0.2323232 0.2323232 0.0000000), wk = 0.0045249 k( 60) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0045249 k( 61) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0045249 k( 62) = ( 0.2020202 0.2020202 0.0000000), wk = 0.0045249 k( 63) = ( 0.1919192 0.1919192 0.0000000), wk = 0.0045249 k( 64) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0045249 k( 65) = ( 0.1717172 0.1717172 0.0000000), wk = 0.0045249 k( 66) = ( 0.1616162 0.1616162 0.0000000), wk = 0.0045249 k( 67) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0045249 k( 68) = ( 0.1414141 0.1414141 -0.0000000), wk = 0.0045249 k( 69) = ( 0.1313131 0.1313131 0.0000000), wk = 0.0045249 k( 70) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0045249 k( 71) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0045249 k( 72) = ( 0.1010101 0.1010101 0.0000000), wk = 0.0045249 k( 73) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0045249 k( 74) = ( 0.0808081 0.0808081 0.0000000), wk = 0.0045249 k( 75) = ( 0.0707071 0.0707071 -0.0000000), wk = 0.0045249 k( 76) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0045249 k( 77) = ( 0.0505051 0.0505051 0.0000000), wk = 0.0045249 k( 78) = ( 0.0404040 0.0404040 0.0000000), wk = 0.0045249 k( 79) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0045249 k( 80) = ( 0.0202020 0.0202020 0.0000000), wk = 0.0045249 k( 81) = ( 0.0101010 0.0101010 0.0000000), wk = 0.0045249 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 84) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0045249 k( 85) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0045249 k( 86) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0045249 k( 87) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0045249 k( 88) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0045249 k( 89) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0045249 k( 90) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0045249 k( 91) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0045249 k( 92) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0045249 k( 93) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0045249 k( 94) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0045249 k( 95) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0045249 k( 96) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0045249 k( 97) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0045249 k( 98) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0045249 k( 99) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0045249 k( 100) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0045249 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045249 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045249 k( 103) = ( 0.0172414 -0.0000000 0.5000000), wk = 0.0045249 k( 104) = ( 0.0344828 -0.0000000 0.5000000), wk = 0.0045249 k( 105) = ( 0.0517241 -0.0000000 0.5000000), wk = 0.0045249 k( 106) = ( 0.0689655 -0.0000000 0.5000000), wk = 0.0045249 k( 107) = ( 0.0862069 -0.0000000 0.5000000), wk = 0.0045249 k( 108) = ( 0.1034483 -0.0000000 0.5000000), wk = 0.0045249 k( 109) = ( 0.1206897 -0.0000000 0.5000000), wk = 0.0045249 k( 110) = ( 0.1379310 -0.0000000 0.5000000), wk = 0.0045249 k( 111) = ( 0.1551724 -0.0000000 0.5000000), wk = 0.0045249 k( 112) = ( 0.1724138 -0.0000000 0.5000000), wk = 0.0045249 k( 113) = ( 0.1896552 -0.0000000 0.5000000), wk = 0.0045249 k( 114) = ( 0.2068966 -0.0000000 0.5000000), wk = 0.0045249 k( 115) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0045249 k( 116) = ( 0.2413793 -0.0000000 0.5000000), wk = 0.0045249 k( 117) = ( 0.2586207 -0.0000000 0.5000000), wk = 0.0045249 k( 118) = ( 0.2758621 -0.0000000 0.5000000), wk = 0.0045249 k( 119) = ( 0.2931034 -0.0000000 0.5000000), wk = 0.0045249 k( 120) = ( 0.3103448 -0.0000000 0.5000000), wk = 0.0045249 k( 121) = ( 0.3275862 -0.0000000 0.5000000), wk = 0.0045249 k( 122) = ( 0.3448276 -0.0000000 0.5000000), wk = 0.0045249 k( 123) = ( 0.3620690 -0.0000000 0.5000000), wk = 0.0045249 k( 124) = ( 0.3793103 -0.0000000 0.5000000), wk = 0.0045249 k( 125) = ( 0.3965517 -0.0000000 0.5000000), wk = 0.0045249 k( 126) = ( 0.4137931 -0.0000000 0.5000000), wk = 0.0045249 k( 127) = ( 0.4310345 -0.0000000 0.5000000), wk = 0.0045249 k( 128) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0045249 k( 129) = ( 0.4655172 -0.0000000 0.5000000), wk = 0.0045249 k( 130) = ( 0.4827586 -0.0000000 0.5000000), wk = 0.0045249 k( 131) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045249 k( 132) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045249 k( 133) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0045249 k( 134) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0045249 k( 135) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0045249 k( 136) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0045249 k( 137) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0045249 k( 138) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0045249 k( 139) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0045249 k( 140) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0045249 k( 141) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0045249 k( 142) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0045249 k( 143) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0045249 k( 144) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0045249 k( 145) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0045249 k( 146) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0045249 k( 147) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0045249 k( 148) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0045249 k( 149) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045249 k( 150) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045249 k( 151) = ( 0.3232323 0.3232323 0.5000000), wk = 0.0045249 k( 152) = ( 0.3131313 0.3131313 0.5000000), wk = 0.0045249 k( 153) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0045249 k( 154) = ( 0.2929293 0.2929293 0.5000000), wk = 0.0045249 k( 155) = ( 0.2828283 0.2828283 0.5000000), wk = 0.0045249 k( 156) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0045249 k( 157) = ( 0.2626263 0.2626263 0.5000000), wk = 0.0045249 k( 158) = ( 0.2525252 0.2525252 0.5000000), wk = 0.0045249 k( 159) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0045249 k( 160) = ( 0.2323232 0.2323232 0.5000000), wk = 0.0045249 k( 161) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0045249 k( 162) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0045249 k( 163) = ( 0.2020202 0.2020202 0.5000000), wk = 0.0045249 k( 164) = ( 0.1919192 0.1919192 0.5000000), wk = 0.0045249 k( 165) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0045249 k( 166) = ( 0.1717172 0.1717172 0.5000000), wk = 0.0045249 k( 167) = ( 0.1616162 0.1616162 0.5000000), wk = 0.0045249 k( 168) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0045249 k( 169) = ( 0.1414141 0.1414141 0.5000000), wk = 0.0045249 k( 170) = ( 0.1313131 0.1313131 0.5000000), wk = 0.0045249 k( 171) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0045249 k( 172) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0045249 k( 173) = ( 0.1010101 0.1010101 0.5000000), wk = 0.0045249 k( 174) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0045249 k( 175) = ( 0.0808081 0.0808081 0.5000000), wk = 0.0045249 k( 176) = ( 0.0707071 0.0707071 0.5000000), wk = 0.0045249 k( 177) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0045249 k( 178) = ( 0.0505051 0.0505051 0.5000000), wk = 0.0045249 k( 179) = ( 0.0404040 0.0404040 0.5000000), wk = 0.0045249 k( 180) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0045249 k( 181) = ( 0.0202020 0.0202020 0.5000000), wk = 0.0045249 k( 182) = ( 0.0101010 0.0101010 0.5000000), wk = 0.0045249 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045249 k( 184) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045249 k( 185) = ( 0.5000000 -0.0000000 0.4722222), wk = 0.0045249 k( 186) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0045249 k( 187) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0045249 k( 188) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0045249 k( 189) = ( 0.5000000 -0.0000000 0.3611111), wk = 0.0045249 k( 190) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0045249 k( 191) = ( 0.5000000 -0.0000000 0.3055556), wk = 0.0045249 k( 192) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0045249 k( 193) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0045249 k( 194) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0045249 k( 195) = ( 0.5000000 -0.0000000 0.1944444), wk = 0.0045249 k( 196) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0045249 k( 197) = ( 0.5000000 -0.0000000 0.1388889), wk = 0.0045249 k( 198) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0045249 k( 199) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0045249 k( 200) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0045249 k( 201) = ( 0.5000000 -0.0000000 0.0277778), wk = 0.0045249 k( 202) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0045249 k( 203) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0045249 k( 204) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0045249 k( 205) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0045249 k( 206) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0045249 k( 207) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0045249 k( 208) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0045249 k( 209) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0045249 k( 210) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0045249 k( 211) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0045249 k( 212) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0045249 k( 213) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0045249 k( 214) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0045249 k( 215) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045249 k( 216) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0045249 k( 217) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0045249 k( 218) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0045249 k( 219) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0045249 k( 220) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0045249 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045249 Dense grid: 205367 G-vectors FFT dimensions: ( 72, 72, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.63 Mb ( 716, 58) NL pseudopotentials 1.73 Mb ( 358, 316) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2850) G-vector shells 0.01 Mb ( 1401) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.53 Mb ( 716, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.56 Mb ( 316, 2, 58) The potential is recalculated from file : ./Cs2S.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.7 secs Computing kpt #: 3 total cpu time spent up to now is 8.9 secs Computing kpt #: 4 total cpu time spent up to now is 11.4 secs Computing kpt #: 5 total cpu time spent up to now is 13.5 secs Computing kpt #: 6 total cpu time spent up to now is 15.8 secs Computing kpt #: 7 total cpu time spent up to now is 55.8 secs Computing kpt #: 8 total cpu time spent up to now is 58.1 secs Computing kpt #: 9 total cpu time spent up to now is 60.4 secs Computing kpt #: 10 total cpu time spent up to now is 62.6 secs Computing kpt #: 11 total cpu time spent up to now is 65.3 secs Computing kpt #: 12 total cpu time spent up to now is 67.8 secs Computing kpt #: 13 total cpu time spent up to now is 70.6 secs Computing kpt #: 14 total cpu time spent up to now is 73.5 secs Computing kpt #: 15 total cpu time spent up to now is 76.3 secs Computing kpt #: 16 total cpu time spent up to now is 79.2 secs Computing kpt #: 17 total cpu time spent up to now is 82.1 secs Computing kpt #: 18 total cpu time spent up to now is 85.0 secs Computing kpt #: 19 total cpu time spent up to now is 88.0 secs Computing kpt #: 20 total cpu time spent up to now is 90.9 secs Computing kpt #: 21 total cpu time spent up to now is 93.6 secs Computing kpt #: 22 total cpu time spent up to now is 96.1 secs Computing kpt #: 23 total cpu time spent up to now is 98.6 secs Computing kpt #: 24 total cpu time spent up to now is 101.0 secs Computing kpt #: 25 total cpu time spent up to now is 103.8 secs Computing kpt #: 26 total cpu time spent up to now is 106.1 secs Computing kpt #: 27 total cpu time spent up to now is 108.8 secs Computing kpt #: 28 total cpu time spent up to now is 111.3 secs Computing kpt #: 29 total cpu time spent up to now is 113.6 secs Computing kpt #: 30 total cpu time spent up to now is 115.9 secs Computing kpt #: 31 total cpu time spent up to now is 118.1 secs Computing kpt #: 32 total cpu time spent up to now is 120.5 secs Computing kpt #: 33 total cpu time spent up to now is 123.0 secs Computing kpt #: 34 total cpu time spent up to now is 125.3 secs Computing kpt #: 35 total cpu time spent up to now is 127.6 secs Computing kpt #: 36 total cpu time spent up to now is 129.9 secs Computing kpt #: 37 total cpu time spent up to now is 132.3 secs Computing kpt #: 38 total cpu time spent up to now is 134.6 secs Computing kpt #: 39 total cpu time spent up to now is 136.9 secs Computing kpt #: 40 total cpu time spent up to now is 139.1 secs Computing kpt #: 41 total cpu time spent up to now is 141.4 secs Computing kpt #: 42 total cpu time spent up to now is 143.5 secs Computing kpt #: 43 total cpu time spent up to now is 145.6 secs Computing kpt #: 44 total cpu time spent up to now is 147.7 secs Computing kpt #: 45 total cpu time spent up to now is 149.9 secs Computing kpt #: 46 total cpu time spent up to now is 151.9 secs Computing kpt #: 47 total cpu time spent up to now is 154.5 secs Computing kpt #: 48 total cpu time spent up to now is 157.0 secs Computing kpt #: 49 total cpu time spent up to now is 159.6 secs Computing kpt #: 50 total cpu time spent up to now is 161.6 secs Computing kpt #: 51 total cpu time spent up to now is 163.6 secs Computing kpt #: 52 total cpu time spent up to now is 165.5 secs Computing kpt #: 53 total cpu time spent up to now is 167.6 secs Computing kpt #: 54 total cpu time spent up to now is 169.6 secs Computing kpt #: 55 total cpu time spent up to now is 171.6 secs Computing kpt #: 56 total cpu time spent up to now is 173.7 secs Computing kpt #: 57 total cpu time spent up to now is 175.8 secs Computing kpt #: 58 total cpu time spent up to now is 177.9 secs Computing kpt #: 59 total cpu time spent up to now is 180.1 secs Computing kpt #: 60 total cpu time spent up to now is 182.4 secs Computing kpt #: 61 total cpu time spent up to now is 185.0 secs Computing kpt #: 62 total cpu time spent up to now is 187.9 secs Computing kpt #: 63 total cpu time spent up to now is 190.6 secs Computing kpt #: 64 total cpu time spent up to now is 192.9 secs Computing kpt #: 65 total cpu time spent up to now is 195.2 secs Computing kpt #: 66 total cpu time spent up to now is 197.6 secs Computing kpt #: 67 total cpu time spent up to now is 200.2 secs Computing kpt #: 68 total cpu time spent up to now is 203.0 secs Computing kpt #: 69 total cpu time spent up to now is 205.8 secs Computing kpt #: 70 total cpu time spent up to now is 208.7 secs Computing kpt #: 71 total cpu time spent up to now is 211.5 secs Computing kpt #: 72 total cpu time spent up to now is 214.2 secs Computing kpt #: 73 total cpu time spent up to now is 216.6 secs Computing kpt #: 74 total cpu time spent up to now is 219.0 secs Computing kpt #: 75 total cpu time spent up to now is 221.8 secs Computing kpt #: 76 total cpu time spent up to now is 224.1 secs Computing kpt #: 77 total cpu time spent up to now is 226.5 secs Computing kpt #: 78 total cpu time spent up to now is 228.7 secs Computing kpt #: 79 total cpu time spent up to now is 230.9 secs Computing kpt #: 80 total cpu time spent up to now is 233.3 secs Computing kpt #: 81 total cpu time spent up to now is 235.6 secs Computing kpt #: 82 total cpu time spent up to now is 238.0 secs Computing kpt #: 83 total cpu time spent up to now is 240.2 secs Computing kpt #: 84 total cpu time spent up to now is 242.4 secs Computing kpt #: 85 total cpu time spent up to now is 244.7 secs Computing kpt #: 86 total cpu time spent up to now is 247.3 secs Computing kpt #: 87 total cpu time spent up to now is 249.6 secs Computing kpt #: 88 total cpu time spent up to now is 251.9 secs Computing kpt #: 89 total cpu time spent up to now is 254.7 secs Computing kpt #: 90 total cpu time spent up to now is 257.2 secs Computing kpt #: 91 total cpu time spent up to now is 259.8 secs Computing kpt #: 92 total cpu time spent up to now is 262.8 secs Computing kpt #: 93 total cpu time spent up to now is 265.6 secs Computing kpt #: 94 total cpu time spent up to now is 268.4 secs Computing kpt #: 95 total cpu time spent up to now is 271.2 secs Computing kpt #: 96 total cpu time spent up to now is 274.1 secs Computing kpt #: 97 total cpu time spent up to now is 277.0 secs Computing kpt #: 98 total cpu time spent up to now is 279.9 secs Computing kpt #: 99 total cpu time spent up to now is 282.8 secs Computing kpt #: 100 total cpu time spent up to now is 285.8 secs Computing kpt #: 101 total cpu time spent up to now is 288.6 secs Computing kpt #: 102 total cpu time spent up to now is 291.6 secs Computing kpt #: 103 total cpu time spent up to now is 294.5 secs Computing kpt #: 104 total cpu time spent up to now is 297.5 secs Computing kpt #: 105 total cpu time spent up to now is 300.3 secs Computing kpt #: 106 total cpu time spent up to now is 303.3 secs Computing kpt #: 107 total cpu time spent up to now is 306.1 secs Computing kpt #: 108 total cpu time spent up to now is 309.1 secs Computing kpt #: 109 total cpu time spent up to now is 312.0 secs Computing kpt #: 110 total cpu time spent up to now is 314.9 secs Computing kpt #: 111 total cpu time spent up to now is 317.9 secs Computing kpt #: 112 total cpu time spent up to now is 320.8 secs Computing kpt #: 113 total cpu time spent up to now is 323.9 secs Computing kpt #: 114 total cpu time spent up to now is 326.9 secs Computing kpt #: 115 total cpu time spent up to now is 329.9 secs Computing kpt #: 116 total cpu time spent up to now is 332.8 secs Computing kpt #: 117 total cpu time spent up to now is 335.7 secs Computing kpt #: 118 total cpu time spent up to now is 338.6 secs Computing kpt #: 119 total cpu time spent up to now is 341.4 secs Computing kpt #: 120 total cpu time spent up to now is 344.2 secs Computing kpt #: 121 total cpu time spent up to now is 346.8 secs Computing kpt #: 122 total cpu time spent up to now is 349.5 secs Computing kpt #: 123 total cpu time spent up to now is 352.1 secs Computing kpt #: 124 total cpu time spent up to now is 354.9 secs Computing kpt #: 125 total cpu time spent up to now is 357.4 secs Computing kpt #: 126 total cpu time spent up to now is 360.3 secs Computing kpt #: 127 total cpu time spent up to now is 363.2 secs Computing kpt #: 128 total cpu time spent up to now is 366.2 secs Computing kpt #: 129 total cpu time spent up to now is 369.1 secs Computing kpt #: 130 total cpu time spent up to now is 372.2 secs Computing kpt #: 131 total cpu time spent up to now is 375.2 secs Computing kpt #: 132 total cpu time spent up to now is 378.2 secs Computing kpt #: 133 total cpu time spent up to now is 381.9 secs Computing kpt #: 134 total cpu time spent up to now is 385.7 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.1 secs Computing kpt #: 136 total cpu time spent up to now is 396.1 secs Computing kpt #: 137 total cpu time spent up to now is 399.2 secs Computing kpt #: 138 total cpu time spent up to now is 402.2 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 407.3 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 412.5 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.7 secs Computing kpt #: 142 total cpu time spent up to now is 421.0 secs Computing kpt #: 143 total cpu time spent up to now is 424.6 secs Computing kpt #: 144 total cpu time spent up to now is 429.0 secs Computing kpt #: 145 total cpu time spent up to now is 432.7 secs Computing kpt #: 146 total cpu time spent up to now is 435.8 secs Computing kpt #: 147 total cpu time spent up to now is 439.0 secs Computing kpt #: 148 total cpu time spent up to now is 442.0 secs Computing kpt #: 149 total cpu time spent up to now is 444.6 secs Computing kpt #: 150 total cpu time spent up to now is 447.1 secs Computing kpt #: 151 total cpu time spent up to now is 450.1 secs Computing kpt #: 152 total cpu time spent up to now is 453.3 secs Computing kpt #: 153 total cpu time spent up to now is 456.9 secs Computing kpt #: 154 total cpu time spent up to now is 460.5 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 465.5 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 470.4 secs Computing kpt #: 157 total cpu time spent up to now is 474.9 secs Computing kpt #: 158 total cpu time spent up to now is 478.4 secs Computing kpt #: 159 total cpu time spent up to now is 481.6 secs Computing kpt #: 160 total cpu time spent up to now is 485.1 secs Computing kpt #: 161 total cpu time spent up to now is 488.3 secs Computing kpt #: 162 total cpu time spent up to now is 491.5 secs Computing kpt #: 163 total cpu time spent up to now is 494.6 secs Computing kpt #: 164 total cpu time spent up to now is 497.7 secs Computing kpt #: 165 total cpu time spent up to now is 500.7 secs Computing kpt #: 166 total cpu time spent up to now is 503.8 secs Computing kpt #: 167 total cpu time spent up to now is 506.9 secs Computing kpt #: 168 total cpu time spent up to now is 510.0 secs Computing kpt #: 169 total cpu time spent up to now is 513.1 secs Computing kpt #: 170 total cpu time spent up to now is 516.2 secs Computing kpt #: 171 total cpu time spent up to now is 519.4 secs Computing kpt #: 172 total cpu time spent up to now is 522.6 secs Computing kpt #: 173 total cpu time spent up to now is 525.6 secs Computing kpt #: 174 total cpu time spent up to now is 528.7 secs Computing kpt #: 175 total cpu time spent up to now is 531.7 secs Computing kpt #: 176 total cpu time spent up to now is 534.8 secs Computing kpt #: 177 total cpu time spent up to now is 537.8 secs Computing kpt #: 178 total cpu time spent up to now is 540.8 secs Computing kpt #: 179 total cpu time spent up to now is 543.8 secs Computing kpt #: 180 total cpu time spent up to now is 547.1 secs Computing kpt #: 181 total cpu time spent up to now is 550.1 secs Computing kpt #: 182 total cpu time spent up to now is 553.0 secs Computing kpt #: 183 total cpu time spent up to now is 555.7 secs Computing kpt #: 184 total cpu time spent up to now is 558.8 secs Computing kpt #: 185 total cpu time spent up to now is 561.9 secs Computing kpt #: 186 total cpu time spent up to now is 565.0 secs Computing kpt #: 187 total cpu time spent up to now is 568.2 secs Computing kpt #: 188 total cpu time spent up to now is 571.2 secs Computing kpt #: 189 total cpu time spent up to now is 573.8 secs Computing kpt #: 190 total cpu time spent up to now is 576.5 secs Computing kpt #: 191 total cpu time spent up to now is 579.0 secs Computing kpt #: 192 total cpu time spent up to now is 581.6 secs Computing kpt #: 193 total cpu time spent up to now is 584.1 secs Computing kpt #: 194 total cpu time spent up to now is 586.5 secs Computing kpt #: 195 total cpu time spent up to now is 588.9 secs Computing kpt #: 196 total cpu time spent up to now is 591.4 secs Computing kpt #: 197 total cpu time spent up to now is 593.8 secs Computing kpt #: 198 total cpu time spent up to now is 596.2 secs Computing kpt #: 199 total cpu time spent up to now is 598.7 secs Computing kpt #: 200 total cpu time spent up to now is 601.1 secs Computing kpt #: 201 total cpu time spent up to now is 603.4 secs Computing kpt #: 202 total cpu time spent up to now is 605.8 secs Computing kpt #: 203 total cpu time spent up to now is 608.4 secs Computing kpt #: 204 total cpu time spent up to now is 611.1 secs Computing kpt #: 205 total cpu time spent up to now is 613.8 secs Computing kpt #: 206 total cpu time spent up to now is 616.7 secs Computing kpt #: 207 total cpu time spent up to now is 619.4 secs Computing kpt #: 208 total cpu time spent up to now is 622.2 secs Computing kpt #: 209 total cpu time spent up to now is 625.0 secs Computing kpt #: 210 total cpu time spent up to now is 628.0 secs Computing kpt #: 211 total cpu time spent up to now is 631.0 secs Computing kpt #: 212 total cpu time spent up to now is 634.0 secs Computing kpt #: 213 total cpu time spent up to now is 637.1 secs Computing kpt #: 214 total cpu time spent up to now is 641.1 secs Computing kpt #: 215 total cpu time spent up to now is 644.2 secs Computing kpt #: 216 total cpu time spent up to now is 647.1 secs Computing kpt #: 217 total cpu time spent up to now is 649.7 secs Computing kpt #: 218 total cpu time spent up to now is 652.3 secs Computing kpt #: 219 total cpu time spent up to now is 655.5 secs Computing kpt #: 220 total cpu time spent up to now is 658.6 secs Computing kpt #: 221 total cpu time spent up to now is 661.2 secs ethr = 2.08E-08, avg # of iterations = 45.9 total cpu time spent up to now is 661.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 25715 PWs) bands (ev): -17.8542 -17.8542 -17.8072 -17.8072 -17.0150 -17.0150 -17.0111 -17.0111 -6.6768 -6.6768 -6.5637 -6.5637 -6.1268 -6.1268 -6.1071 -6.1071 -5.8132 -5.8132 -5.7264 -5.7264 -5.2672 -5.2672 -5.1831 -5.1831 -5.0289 -5.0289 -5.0231 -5.0231 -4.3998 -4.3998 -4.3599 -4.3599 -4.2539 -4.2539 -4.2204 -4.2204 2.9779 2.9779 3.0272 3.0272 3.1569 3.1569 3.2286 3.2286 3.3006 3.3006 3.5735 3.5735 4.9190 4.9190 5.8856 5.8856 6.3465 6.3465 6.3612 6.3612 6.7834 6.7834 k = 0.0172 0.0100-0.0000 ( 25695 PWs) bands (ev): -17.8541 -17.8541 -17.8072 -17.8072 -17.0150 -17.0150 -17.0111 -17.0111 -6.6768 -6.6768 -6.5637 -6.5637 -6.1274 -6.1274 -6.1078 -6.1078 -5.8130 -5.8130 -5.7262 -5.7262 -5.2672 -5.2672 -5.1828 -5.1828 -5.0289 -5.0289 -5.0232 -5.0232 -4.3994 -4.3994 -4.3595 -4.3595 -4.2540 -4.2540 -4.2204 -4.2204 2.9787 2.9787 3.0278 3.0278 3.1572 3.1572 3.2279 3.2279 3.2995 3.2995 3.5728 3.5728 4.9240 4.9240 5.8867 5.8867 6.3487 6.3487 6.3636 6.3636 6.7794 6.7794 k = 0.0345 0.0199-0.0000 ( 25685 PWs) bands (ev): -17.8541 -17.8541 -17.8072 -17.8072 -17.0150 -17.0150 -17.0112 -17.0112 -6.6770 -6.6770 -6.5636 -6.5636 -6.1291 -6.1291 -6.1098 -6.1098 -5.8121 -5.8121 -5.7253 -5.7253 -5.2673 -5.2673 -5.1819 -5.1819 -5.0287 -5.0287 -5.0236 -5.0236 -4.3982 -4.3982 -4.3583 -4.3583 -4.2542 -4.2542 -4.2204 -4.2204 2.9811 2.9811 3.0297 3.0297 3.1582 3.1582 3.2255 3.2255 3.2967 3.2967 3.5705 3.5705 4.9389 4.9389 5.8899 5.8899 6.3550 6.3550 6.3711 6.3711 6.7662 6.7662 k = 0.0517 0.0299-0.0000 ( 25683 PWs) bands (ev): -17.8540 -17.8540 -17.8072 -17.8072 -17.0150 -17.0150 -17.0112 -17.0112 -6.6773 -6.6773 -6.5635 -6.5635 -6.1320 -6.1320 -6.1132 -6.1132 -5.8108 -5.8108 -5.7240 -5.7240 -5.2675 -5.2675 -5.1805 -5.1805 -5.0286 -5.0286 -5.0242 -5.0242 -4.3961 -4.3961 -4.3564 -4.3564 -4.2545 -4.2545 -4.2203 -4.2203 2.9850 2.9850 3.0329 3.0329 3.1599 3.1599 3.2207 3.2207 3.2931 3.2931 3.5669 3.5669 4.9633 4.9633 5.8951 5.8951 6.3643 6.3643 6.3845 6.3845 6.7414 6.7414 k = 0.0690 0.0398-0.0000 ( 25678 PWs) bands (ev): -17.8539 -17.8539 -17.8072 -17.8072 -17.0150 -17.0150 -17.0114 -17.0114 -6.6776 -6.6776 -6.5633 -6.5633 -6.1360 -6.1360 -6.1177 -6.1177 -5.8090 -5.8090 -5.7222 -5.7222 -5.2678 -5.2678 -5.1785 -5.1785 -5.0284 -5.0284 -5.0249 -5.0249 -4.3933 -4.3933 -4.3536 -4.3536 -4.2550 -4.2550 -4.2203 -4.2203 2.9904 2.9904 3.0372 3.0372 3.1622 3.1622 3.2130 3.2130 3.2900 3.2900 3.5619 3.5619 4.9966 4.9966 5.9024 5.9024 6.3763 6.3763 6.4042 6.4042 6.7058 6.7058 k = 0.0862 0.0498-0.0000 ( 25680 PWs) bands (ev): -17.8537 -17.8537 -17.8072 -17.8072 -17.0150 -17.0150 -17.0115 -17.0115 -6.6781 -6.6781 -6.5631 -6.5631 -6.1410 -6.1410 -6.1234 -6.1234 -5.8069 -5.8069 -5.7200 -5.7200 -5.2683 -5.2683 -5.1759 -5.1759 -5.0285 -5.0285 -5.0254 -5.0254 -4.3899 -4.3899 -4.3501 -4.3501 -4.2555 -4.2555 -4.2202 -4.2202 2.9973 2.9973 3.0426 3.0426 3.1652 3.1652 3.2019 3.2019 3.2883 3.2883 3.5556 3.5556 5.0378 5.0378 5.9117 5.9117 6.3909 6.3909 6.4299 6.4299 6.6633 6.6633 k = 0.1034 0.0597-0.0000 ( 25652 PWs) bands (ev): -17.8535 -17.8535 -17.8071 -17.8071 -17.0150 -17.0150 -17.0117 -17.0117 -6.6786 -6.6786 -6.5629 -6.5629 -6.1469 -6.1469 -6.1299 -6.1299 -5.8044 -5.8044 -5.7176 -5.7176 -5.2690 -5.2690 -5.1728 -5.1728 -5.0290 -5.0290 -5.0255 -5.0255 -4.3860 -4.3860 -4.3459 -4.3459 -4.2561 -4.2561 -4.2202 -4.2202 3.0054 3.0054 3.0488 3.0488 3.1686 3.1686 3.1879 3.1879 3.2884 3.2884 3.5483 3.5483 5.0859 5.0859 5.9228 5.9228 6.4083 6.4083 6.4611 6.4611 6.6179 6.6179 k = 0.1207 0.0697-0.0000 ( 25672 PWs) bands (ev): -17.8533 -17.8533 -17.8071 -17.8071 -17.0150 -17.0150 -17.0118 -17.0118 -6.6792 -6.6792 -6.5627 -6.5627 -6.1536 -6.1536 -6.1372 -6.1372 -5.8016 -5.8016 -5.7149 -5.7149 -5.2699 -5.2699 -5.1691 -5.1691 -5.0300 -5.0300 -5.0250 -5.0250 -4.3817 -4.3817 -4.3409 -4.3409 -4.2568 -4.2568 -4.2202 -4.2202 3.0146 3.0146 3.0556 3.0556 3.1691 3.1691 3.1754 3.1754 3.2902 3.2902 3.5400 3.5400 5.1401 5.1401 5.9357 5.9357 6.4286 6.4286 6.4973 6.4973 6.5724 6.5724 k = 0.1379 0.0796-0.0000 ( 25650 PWs) bands (ev): -17.8531 -17.8531 -17.8071 -17.8071 -17.0150 -17.0150 -17.0121 -17.0121 -6.6799 -6.6799 -6.5626 -6.5626 -6.1610 -6.1610 -6.1450 -6.1450 -5.7987 -5.7987 -5.7122 -5.7122 -5.2711 -5.2711 -5.1649 -5.1649 -5.0311 -5.0311 -5.0241 -5.0241 -4.3771 -4.3771 -4.3353 -4.3353 -4.2575 -4.2575 -4.2203 -4.2203 3.0249 3.0249 3.0625 3.0625 3.1536 3.1536 3.1786 3.1786 3.2934 3.2934 3.5308 3.5308 5.1992 5.1992 5.9502 5.9502 6.4518 6.4518 6.5290 6.5290 6.5380 6.5380 k = 0.1552 0.0896-0.0000 ( 25640 PWs) bands (ev): -17.8528 -17.8528 -17.8071 -17.8071 -17.0150 -17.0150 -17.0123 -17.0123 -6.6806 -6.6806 -6.5625 -6.5625 -6.1690 -6.1690 -6.1531 -6.1531 -5.7956 -5.7956 -5.7094 -5.7094 -5.2725 -5.2725 -5.1604 -5.1604 -5.0321 -5.0321 -5.0229 -5.0229 -4.3725 -4.3725 -4.3291 -4.3291 -4.2581 -4.2581 -4.2204 -4.2204 3.0359 3.0359 3.0687 3.0687 3.1374 3.1374 3.1839 3.1839 3.2976 3.2976 3.5210 3.5210 5.2620 5.2620 5.9663 5.9663 6.4778 6.4778 6.4892 6.4892 6.5826 6.5826 k = 0.1724 0.0995-0.0000 ( 25656 PWs) bands (ev): -17.8525 -17.8525 -17.8070 -17.8070 -17.0150 -17.0150 -17.0125 -17.0125 -6.6814 -6.6814 -6.5624 -6.5624 -6.1775 -6.1775 -6.1615 -6.1615 -5.7925 -5.7925 -5.7067 -5.7067 -5.2741 -5.2741 -5.1556 -5.1556 -5.0330 -5.0330 -5.0215 -5.0215 -4.3679 -4.3679 -4.3224 -4.3224 -4.2585 -4.2585 -4.2206 -4.2206 3.0471 3.0471 3.0724 3.0724 3.1247 3.1247 3.1899 3.1899 3.3026 3.3026 3.5106 3.5106 5.3274 5.3274 5.9837 5.9837 6.4538 6.4538 6.5068 6.5068 6.6302 6.6302 k = 0.1897 0.1095-0.0000 ( 25648 PWs) bands (ev): -17.8522 -17.8522 -17.8070 -17.8070 -17.0150 -17.0150 -17.0128 -17.0128 -6.6822 -6.6822 -6.5625 -6.5625 -6.1864 -6.1864 -6.1701 -6.1701 -5.7893 -5.7893 -5.7042 -5.7042 -5.2759 -5.2759 -5.1508 -5.1508 -5.0336 -5.0336 -5.0198 -5.0198 -4.3634 -4.3634 -4.3153 -4.3153 -4.2588 -4.2588 -4.2210 -4.2210 3.0556 3.0556 3.0728 3.0728 3.1194 3.1194 3.1964 3.1964 3.3081 3.3081 3.4999 3.4999 5.3942 5.3942 6.0026 6.0026 6.4240 6.4240 6.5386 6.5386 6.6797 6.6797 k = 0.2069 0.1195-0.0000 ( 25640 PWs) bands (ev): -17.8519 -17.8519 -17.8070 -17.8070 -17.0150 -17.0150 -17.0130 -17.0130 -6.6830 -6.6830 -6.5627 -6.5627 -6.1953 -6.1953 -6.1786 -6.1786 -5.7862 -5.7862 -5.7019 -5.7019 -5.2777 -5.2777 -5.1460 -5.1460 -5.0338 -5.0338 -5.0179 -5.0179 -4.3593 -4.3593 -4.3080 -4.3080 -4.2588 -4.2588 -4.2213 -4.2213 3.0516 3.0516 3.0791 3.0791 3.1221 3.1221 3.2034 3.2034 3.3140 3.3140 3.4890 3.4890 5.4608 5.4608 6.0230 6.0230 6.4004 6.4004 6.5731 6.5731 6.7296 6.7296 k = 0.2241 0.1294-0.0000 ( 25662 PWs) bands (ev): -17.8516 -17.8516 -17.8069 -17.8069 -17.0150 -17.0150 -17.0133 -17.0133 -6.6839 -6.6839 -6.5630 -6.5630 -6.2044 -6.2044 -6.1870 -6.1870 -5.7831 -5.7831 -5.6998 -5.6998 -5.2797 -5.2797 -5.1414 -5.1414 -5.0334 -5.0334 -5.0157 -5.0157 -4.3556 -4.3556 -4.3007 -4.3007 -4.2584 -4.2584 -4.2218 -4.2218 3.0392 3.0392 3.0909 3.0909 3.1293 3.1293 3.2108 3.2108 3.3201 3.3201 3.4780 3.4780 5.5258 5.5258 6.0453 6.0453 6.3835 6.3835 6.6103 6.6103 6.7777 6.7777 k = 0.2414 0.1394-0.0000 ( 25658 PWs) bands (ev): -17.8513 -17.8513 -17.8069 -17.8069 -17.0150 -17.0150 -17.0135 -17.0135 -6.6847 -6.6847 -6.5635 -6.5635 -6.2133 -6.2133 -6.1953 -6.1953 -5.7801 -5.7801 -5.6980 -5.6980 -5.2817 -5.2817 -5.1372 -5.1372 -5.0324 -5.0324 -5.0133 -5.0133 -4.3524 -4.3524 -4.2936 -4.2936 -4.2575 -4.2575 -4.2221 -4.2221 3.0251 3.0251 3.1037 3.1037 3.1386 3.1386 3.2186 3.2186 3.3262 3.3262 3.4672 3.4672 5.5870 5.5870 6.0700 6.0700 6.3736 6.3736 6.6501 6.6501 6.8159 6.8159 k = 0.2586 0.1493-0.0000 ( 25662 PWs) bands (ev): -17.8509 -17.8509 -17.8069 -17.8069 -17.0151 -17.0151 -17.0137 -17.0137 -6.6855 -6.6855 -6.5641 -6.5641 -6.2219 -6.2219 -6.2034 -6.2034 -5.7772 -5.7772 -5.6965 -5.6965 -5.2837 -5.2837 -5.1335 -5.1335 -5.0307 -5.0307 -5.0107 -5.0107 -4.3498 -4.3498 -4.2870 -4.2870 -4.2560 -4.2560 -4.2223 -4.2223 3.0112 3.0112 3.1163 3.1163 3.1493 3.1493 3.2267 3.2267 3.3323 3.3323 3.4566 3.4566 5.6424 5.6424 6.0984 6.0984 6.3709 6.3709 6.6924 6.6924 6.8204 6.8204 k = 0.2759 0.1593-0.0000 ( 25652 PWs) bands (ev): -17.8506 -17.8506 -17.8068 -17.8068 -17.0152 -17.0152 -17.0139 -17.0139 -6.6863 -6.6863 -6.5648 -6.5648 -6.2302 -6.2302 -6.2112 -6.2112 -5.7744 -5.7744 -5.6954 -5.6954 -5.2857 -5.2857 -5.1304 -5.1304 -5.0283 -5.0283 -5.0080 -5.0080 -4.3477 -4.3477 -4.2811 -4.2811 -4.2542 -4.2542 -4.2220 -4.2220 2.9980 2.9980 3.1283 3.1283 3.1609 3.1609 3.2350 3.2350 3.3380 3.3380 3.4464 3.4464 5.6895 5.6895 6.1316 6.1316 6.3753 6.3753 6.7371 6.7371 6.8193 6.8193 k = 0.2931 0.1692-0.0000 ( 25650 PWs) bands (ev): -17.8503 -17.8503 -17.8068 -17.8068 -17.0153 -17.0153 -17.0140 -17.0140 -6.6870 -6.6870 -6.5657 -6.5657 -6.2380 -6.2380 -6.2187 -6.2187 -5.7718 -5.7718 -5.6945 -5.6945 -5.2876 -5.2876 -5.1279 -5.1279 -5.0252 -5.0252 -5.0050 -5.0050 -4.3463 -4.3463 -4.2761 -4.2761 -4.2522 -4.2522 -4.2209 -4.2209 2.9859 2.9859 3.1394 3.1394 3.1732 3.1732 3.2434 3.2434 3.3434 3.3434 3.4367 3.4367 5.7266 5.7266 6.1707 6.1707 6.3864 6.3864 6.7839 6.7839 6.8177 6.8177 k = 0.3103 0.1792-0.0000 ( 25658 PWs) bands (ev): -17.8500 -17.8500 -17.8068 -17.8068 -17.0155 -17.0155 -17.0141 -17.0141 -6.6877 -6.6877 -6.5667 -6.5667 -6.2453 -6.2453 -6.2259 -6.2259 -5.7693 -5.7693 -5.6939 -5.6939 -5.2895 -5.2895 -5.1261 -5.1261 -5.0216 -5.0216 -5.0020 -5.0020 -4.3454 -4.3454 -4.2720 -4.2720 -4.2504 -4.2504 -4.2188 -4.2188 2.9748 2.9748 3.1497 3.1497 3.1861 3.1861 3.2519 3.2519 3.3483 3.3483 3.4277 3.4277 5.7527 5.7527 6.2159 6.2159 6.4037 6.4037 6.8156 6.8156 6.8326 6.8326 k = 0.3276 0.1891-0.0000 ( 25644 PWs) bands (ev): -17.8497 -17.8497 -17.8067 -17.8067 -17.0157 -17.0157 -17.0142 -17.0142 -6.6884 -6.6884 -6.5678 -6.5678 -6.2520 -6.2520 -6.2326 -6.2326 -5.7670 -5.7670 -5.6935 -5.6935 -5.2912 -5.2912 -5.1248 -5.1248 -5.0175 -5.0175 -4.9990 -4.9990 -4.3450 -4.3450 -4.2689 -4.2689 -4.2490 -4.2490 -4.2156 -4.2156 2.9648 2.9648 3.1591 3.1591 3.1990 3.1990 3.2603 3.2603 3.3526 3.3526 3.4194 3.4194 5.7683 5.7683 6.2661 6.2661 6.4266 6.4266 6.8136 6.8136 6.8696 6.8696 k = 0.3448 0.1991-0.0000 ( 25650 PWs) bands (ev): -17.8494 -17.8494 -17.8067 -17.8067 -17.0159 -17.0159 -17.0142 -17.0142 -6.6890 -6.6890 -6.5689 -6.5689 -6.2581 -6.2581 -6.2389 -6.2389 -5.7649 -5.7649 -5.6933 -5.6933 -5.2928 -5.2928 -5.1240 -5.1240 -5.0132 -5.0132 -4.9959 -4.9959 -4.3450 -4.3450 -4.2666 -4.2666 -4.2481 -4.2481 -4.2115 -4.2115 2.9558 2.9558 3.1678 3.1678 3.2117 3.2117 3.2688 3.2688 3.3561 3.3561 3.4120 3.4120 5.7749 5.7749 6.3196 6.3196 6.4541 6.4541 6.8110 6.8110 6.8539 6.8539 k = 0.3621 0.2090-0.0000 ( 25646 PWs) bands (ev): -17.8491 -17.8491 -17.8067 -17.8067 -17.0161 -17.0161 -17.0142 -17.0142 -6.6896 -6.6896 -6.5700 -6.5700 -6.2635 -6.2635 -6.2447 -6.2447 -5.7629 -5.7629 -5.6933 -5.6933 -5.2942 -5.2942 -5.1235 -5.1235 -5.0088 -5.0088 -4.9929 -4.9929 -4.3453 -4.3453 -4.2652 -4.2652 -4.2473 -4.2473 -4.2067 -4.2067 2.9478 2.9478 3.1759 3.1759 3.2237 3.2237 3.2771 3.2771 3.3589 3.3589 3.4055 3.4055 5.7743 5.7743 6.3740 6.3740 6.4854 6.4854 6.8064 6.8064 6.8322 6.8322 k = 0.3793 0.2190-0.0000 ( 25638 PWs) bands (ev): -17.8489 -17.8489 -17.8067 -17.8067 -17.0163 -17.0163 -17.0143 -17.0143 -6.6902 -6.6902 -6.5712 -6.5712 -6.2682 -6.2682 -6.2499 -6.2499 -5.7612 -5.7612 -5.6934 -5.6934 -5.2955 -5.2955 -5.1233 -5.1233 -5.0045 -5.0045 -4.9900 -4.9900 -4.3458 -4.3458 -4.2648 -4.2648 -4.2464 -4.2464 -4.2019 -4.2019 2.9407 2.9407 3.1833 3.1833 3.2347 3.2347 3.2853 3.2853 3.3609 3.3609 3.3999 3.3999 5.7687 5.7687 6.4270 6.4270 6.5193 6.5193 6.7936 6.7936 6.8176 6.8176 k = 0.3966 0.2289-0.0000 ( 25654 PWs) bands (ev): -17.8487 -17.8487 -17.8066 -17.8066 -17.0165 -17.0165 -17.0143 -17.0143 -6.6906 -6.6906 -6.5722 -6.5722 -6.2723 -6.2723 -6.2545 -6.2545 -5.7597 -5.7597 -5.6936 -5.6936 -5.2966 -5.2966 -5.1233 -5.1233 -5.0005 -5.0005 -4.9872 -4.9872 -4.3464 -4.3464 -4.2650 -4.2650 -4.2452 -4.2452 -4.1972 -4.1972 2.9345 2.9345 3.1901 3.1901 3.2443 3.2443 3.2934 3.2934 3.3623 3.3623 3.3951 3.3951 5.7599 5.7599 6.4762 6.4762 6.5545 6.5545 6.7725 6.7725 6.8126 6.8126 k = 0.4138 0.2389-0.0000 ( 25640 PWs) bands (ev): -17.8485 -17.8485 -17.8066 -17.8066 -17.0166 -17.0166 -17.0143 -17.0143 -6.6910 -6.6910 -6.5732 -6.5732 -6.2757 -6.2757 -6.2585 -6.2585 -5.7585 -5.7585 -5.6938 -5.6938 -5.2976 -5.2976 -5.1235 -5.1235 -4.9969 -4.9969 -4.9847 -4.9847 -4.3470 -4.3470 -4.2658 -4.2658 -4.2440 -4.2440 -4.1929 -4.1929 2.9293 2.9293 3.1961 3.1961 3.2523 3.2523 3.3013 3.3013 3.3630 3.3630 3.3911 3.3911 5.7495 5.7495 6.5197 6.5197 6.5895 6.5895 6.7512 6.7512 6.8103 6.8103 k = 0.4310 0.2489-0.0000 ( 25620 PWs) bands (ev): -17.8483 -17.8483 -17.8066 -17.8066 -17.0167 -17.0167 -17.0143 -17.0143 -6.6914 -6.6914 -6.5741 -6.5741 -6.2784 -6.2784 -6.2618 -6.2618 -5.7574 -5.7574 -5.6941 -5.6941 -5.2984 -5.2984 -5.1237 -5.1237 -4.9939 -4.9939 -4.9824 -4.9824 -4.3477 -4.3477 -4.2667 -4.2667 -4.2428 -4.2428 -4.1892 -4.1892 2.9249 2.9249 3.2013 3.2013 3.2586 3.2586 3.3088 3.3088 3.3634 3.3634 3.3877 3.3877 5.7389 5.7389 6.5558 6.5558 6.6222 6.6222 6.7327 6.7327 6.8088 6.8088 k = 0.4483 0.2588-0.0000 ( 25624 PWs) bands (ev): -17.8482 -17.8482 -17.8066 -17.8066 -17.0169 -17.0169 -17.0143 -17.0143 -6.6916 -6.6916 -6.5747 -6.5747 -6.2806 -6.2806 -6.2644 -6.2644 -5.7566 -5.7566 -5.6943 -5.6943 -5.2990 -5.2990 -5.1238 -5.1238 -4.9915 -4.9915 -4.9806 -4.9806 -4.3482 -4.3482 -4.2676 -4.2676 -4.2417 -4.2417 -4.1862 -4.1862 2.9215 2.9215 3.2055 3.2055 3.2632 3.2632 3.3154 3.3154 3.3636 3.3636 3.3847 3.3847 5.7295 5.7295 6.5839 6.5839 6.6498 6.6498 6.7187 6.7187 6.8078 6.8078 k = 0.4655 0.2688-0.0000 ( 25628 PWs) bands (ev): -17.8481 -17.8481 -17.8066 -17.8066 -17.0169 -17.0169 -17.0143 -17.0143 -6.6918 -6.6918 -6.5753 -6.5753 -6.2821 -6.2821 -6.2663 -6.2663 -5.7560 -5.7560 -5.6945 -5.6945 -5.2995 -5.2995 -5.1240 -5.1240 -4.9897 -4.9897 -4.9792 -4.9792 -4.3487 -4.3487 -4.2684 -4.2684 -4.2409 -4.2409 -4.1841 -4.1841 2.9190 2.9190 3.2086 3.2086 3.2664 3.2664 3.3209 3.3209 3.3637 3.3637 3.3823 3.3823 5.7220 5.7220 6.6036 6.6036 6.6691 6.6691 6.7109 6.7109 6.8072 6.8072 k = 0.4828 0.2787-0.0000 ( 25630 PWs) bands (ev): -17.8481 -17.8481 -17.8066 -17.8066 -17.0170 -17.0170 -17.0143 -17.0143 -6.6919 -6.6919 -6.5756 -6.5756 -6.2830 -6.2830 -6.2674 -6.2674 -5.7556 -5.7556 -5.6946 -5.6946 -5.2997 -5.2997 -5.1241 -5.1241 -4.9887 -4.9887 -4.9783 -4.9783 -4.3489 -4.3489 -4.2689 -4.2689 -4.2404 -4.2404 -4.1827 -4.1827 2.9176 2.9176 3.2105 3.2105 3.2682 3.2682 3.3245 3.3245 3.3637 3.3637 3.3806 3.3806 5.7173 5.7173 6.6153 6.6153 6.6774 6.6774 6.7102 6.7102 6.8069 6.8069 k = 0.5000 0.2887-0.0000 ( 25632 PWs) bands (ev): -17.8480 -17.8480 -17.8066 -17.8066 -17.0170 -17.0170 -17.0143 -17.0143 -6.6920 -6.6920 -6.5757 -6.5757 -6.2833 -6.2833 -6.2678 -6.2678 -5.7555 -5.7555 -5.6946 -5.6946 -5.2998 -5.2998 -5.1241 -5.1241 -4.9883 -4.9883 -4.9780 -4.9780 -4.3490 -4.3490 -4.2690 -4.2690 -4.2403 -4.2403 -4.1823 -4.1823 2.9171 2.9171 3.2112 3.2112 3.2688 3.2688 3.3258 3.3258 3.3637 3.3637 3.3800 3.3800 5.7157 5.7157 6.6192 6.6192 6.6788 6.6788 6.7114 6.7114 6.8068 6.8068 k = 0.5000 0.2887-0.0000 ( 25632 PWs) bands (ev): -17.8480 -17.8480 -17.8066 -17.8066 -17.0170 -17.0170 -17.0143 -17.0143 -6.6920 -6.6920 -6.5757 -6.5757 -6.2833 -6.2833 -6.2678 -6.2678 -5.7555 -5.7555 -5.6946 -5.6946 -5.2998 -5.2998 -5.1241 -5.1241 -4.9883 -4.9883 -4.9780 -4.9780 -4.3490 -4.3490 -4.2690 -4.2690 -4.2403 -4.2403 -4.1823 -4.1823 2.9171 2.9171 3.2112 3.2112 3.2688 3.2688 3.3258 3.3258 3.3637 3.3637 3.3800 3.3800 5.7157 5.7157 6.6192 6.6192 6.6788 6.6788 6.7114 6.7114 6.8068 6.8068 k = 0.4902 0.3057-0.0000 ( 25626 PWs) bands (ev): -17.8480 -17.8480 -17.8066 -17.8066 -17.0170 -17.0170 -17.0143 -17.0143 -6.6919 -6.6919 -6.5759 -6.5759 -6.2883 -6.2883 -6.2626 -6.2626 -5.7577 -5.7577 -5.6930 -5.6930 -5.2994 -5.2994 -5.1240 -5.1240 -4.9884 -4.9884 -4.9780 -4.9780 -4.3487 -4.3487 -4.2704 -4.2704 -4.2395 -4.2395 -4.1820 -4.1820 2.9181 2.9181 3.2064 3.2064 3.2723 3.2723 3.3276 3.3276 3.3633 3.3633 3.3794 3.3794 5.7155 5.7155 6.6180 6.6180 6.6759 6.6759 6.7098 6.7098 6.8072 6.8072 k = 0.4804 0.3226-0.0000 ( 25624 PWs) bands (ev): -17.8480 -17.8480 -17.8066 -17.8066 -17.0170 -17.0170 -17.0143 -17.0143 -6.6916 -6.6916 -6.5764 -6.5764 -6.2970 -6.2970 -6.2533 -6.2533 -5.7635 -5.7635 -5.6885 -5.6885 -5.2983 -5.2983 -5.1236 -5.1236 -4.9887 -4.9887 -4.9782 -4.9782 -4.3478 -4.3478 -4.2739 -4.2739 -4.2375 -4.2375 -4.1813 -4.1813 2.9210 2.9210 3.1950 3.1950 3.2800 3.2800 3.3331 3.3331 3.3622 3.3622 3.3778 3.3778 5.7151 5.7151 6.6148 6.6148 6.6623 6.6623 6.7110 6.7110 6.8082 6.8082 k = 0.4706 0.3396-0.0000 ( 25660 PWs) bands (ev): -17.8480 -17.8480 -17.8066 -17.8066 -17.0169 -17.0169 -17.0143 -17.0143 -6.6911 -6.6911 -6.5774 -6.5774 -6.3062 -6.3062 -6.2433 -6.2433 -5.7718 -5.7718 -5.6826 -5.6826 -5.2965 -5.2965 -5.1230 -5.1230 -4.9891 -4.9891 -4.9784 -4.9784 -4.3463 -4.3463 -4.2787 -4.2787 -4.2352 -4.2352 -4.1801 -4.1801 2.9259 2.9259 3.1808 3.1808 3.2878 3.2878 3.3419 3.3419 3.3602 3.3602 3.3757 3.3757 5.7144 5.7144 6.6096 6.6096 6.6359 6.6359 6.7199 6.7199 6.8094 6.8094 k = 0.4608 0.3566-0.0000 ( 25644 PWs) bands (ev): -17.8479 -17.8479 -17.8066 -17.8066 -17.0169 -17.0169 -17.0144 -17.0144 -6.6904 -6.6904 -6.5786 -6.5786 -6.3152 -6.3152 -6.2331 -6.2331 -5.7815 -5.7815 -5.6760 -5.6760 -5.2940 -5.2940 -5.1221 -5.1221 -4.9897 -4.9897 -4.9787 -4.9787 -4.3443 -4.3443 -4.2841 -4.2841 -4.2331 -4.2331 -4.1785 -4.1785 2.9326 2.9326 3.1658 3.1658 3.2946 3.2946 3.3502 3.3502 3.3592 3.3592 3.3745 3.3745 5.7132 5.7132 6.5992 6.5992 6.6051 6.6051 6.7351 6.7351 6.8099 6.8099 k = 0.4510 0.3736-0.0000 ( 25642 PWs) bands (ev): -17.8479 -17.8479 -17.8066 -17.8066 -17.0169 -17.0169 -17.0145 -17.0145 -6.6896 -6.6896 -6.5802 -6.5802 -6.3239 -6.3239 -6.2229 -6.2229 -5.7919 -5.7919 -5.6694 -5.6694 -5.2910 -5.2910 -5.1211 -5.1211 -4.9904 -4.9904 -4.9790 -4.9790 -4.3421 -4.3421 -4.2897 -4.2897 -4.2315 -4.2315 -4.1766 -4.1766 2.9410 2.9410 3.1508 3.1508 3.3003 3.3003 3.3478 3.3478 3.3636 3.3636 3.3790 3.3790 5.7114 5.7114 6.5613 6.5613 6.5968 6.5968 6.7551 6.7551 6.8087 6.8087 k = 0.4412 0.3906-0.0000 ( 25648 PWs) bands (ev): -17.8478 -17.8478 -17.8066 -17.8066 -17.0168 -17.0168 -17.0146 -17.0146 -6.6886 -6.6886 -6.5820 -6.5820 -6.3322 -6.3322 -6.2129 -6.2129 -5.8028 -5.8028 -5.6630 -5.6630 -5.2875 -5.2875 -5.1199 -5.1199 -4.9912 -4.9912 -4.9794 -4.9794 -4.3399 -4.3399 -4.2949 -4.2949 -4.2303 -4.2303 -4.1745 -4.1745 2.9510 2.9510 3.1365 3.1365 3.3055 3.3055 3.3404 3.3404 3.3638 3.3638 3.3919 3.3919 5.7090 5.7090 6.5205 6.5205 6.5898 6.5898 6.7782 6.7782 6.8055 6.8055 k = 0.4314 0.4075-0.0000 ( 25666 PWs) bands (ev): -17.8478 -17.8478 -17.8065 -17.8065 -17.0168 -17.0168 -17.0147 -17.0147 -6.6876 -6.6876 -6.5840 -6.5840 -6.3400 -6.3400 -6.2033 -6.2033 -5.8136 -5.8136 -5.6571 -5.6571 -5.2837 -5.2837 -5.1186 -5.1186 -4.9920 -4.9920 -4.9798 -4.9798 -4.3382 -4.3382 -4.2993 -4.2993 -4.2296 -4.2296 -4.1722 -4.1722 2.9624 2.9624 3.1230 3.1230 3.3103 3.3103 3.3310 3.3310 3.3624 3.3624 3.4072 3.4072 5.7059 5.7059 6.4797 6.4797 6.5837 6.5837 6.7895 6.7895 6.8137 6.8137 k = 0.4216 0.4245-0.0000 ( 25656 PWs) bands (ev): -17.8477 -17.8477 -17.8065 -17.8065 -17.0167 -17.0167 -17.0148 -17.0148 -6.6864 -6.6864 -6.5861 -6.5861 -6.3472 -6.3472 -6.1940 -6.1940 -5.8243 -5.8243 -5.6517 -5.6517 -5.2797 -5.2797 -5.1173 -5.1173 -4.9928 -4.9928 -4.9802 -4.9802 -4.3374 -4.3374 -4.3024 -4.3024 -4.2292 -4.2292 -4.1700 -4.1700 2.9749 2.9749 3.1106 3.1106 3.3151 3.3151 3.3202 3.3202 3.3607 3.3607 3.4228 3.4228 5.7020 5.7020 6.4404 6.4404 6.5790 6.5790 6.7785 6.7785 6.8432 6.8432 k = 0.4118 0.4415-0.0000 ( 25664 PWs) bands (ev): -17.8476 -17.8476 -17.8065 -17.8065 -17.0166 -17.0166 -17.0149 -17.0149 -6.6852 -6.6852 -6.5882 -6.5882 -6.3538 -6.3538 -6.1853 -6.1853 -5.8345 -5.8345 -5.6470 -5.6470 -5.2757 -5.2757 -5.1159 -5.1159 -4.9935 -4.9935 -4.9806 -4.9806 -4.3379 -4.3379 -4.3038 -4.3038 -4.2291 -4.2291 -4.1678 -4.1678 2.9882 2.9882 3.0996 3.0996 3.3084 3.3084 3.3196 3.3196 3.3590 3.3590 3.4378 3.4378 5.6973 5.6973 6.4034 6.4034 6.5761 6.5761 6.7616 6.7616 6.8775 6.8775 k = 0.4020 0.4585-0.0000 ( 25634 PWs) bands (ev): -17.8476 -17.8476 -17.8065 -17.8065 -17.0166 -17.0166 -17.0151 -17.0151 -6.6841 -6.6841 -6.5903 -6.5903 -6.3598 -6.3598 -6.1772 -6.1772 -5.8440 -5.8440 -5.6428 -5.6428 -5.2718 -5.2718 -5.1146 -5.1146 -4.9942 -4.9942 -4.9809 -4.9809 -4.3397 -4.3397 -4.3035 -4.3035 -4.2290 -4.2290 -4.1659 -4.1659 3.0018 3.0018 3.0900 3.0900 3.2960 3.2960 3.3239 3.3239 3.3573 3.3573 3.4518 3.4518 5.6920 5.6920 6.3696 6.3696 6.5755 6.5755 6.7418 6.7418 6.9143 6.9143 k = 0.3922 0.4755-0.0000 ( 25624 PWs) bands (ev): -17.8475 -17.8475 -17.8065 -17.8065 -17.0165 -17.0165 -17.0152 -17.0152 -6.6829 -6.6829 -6.5924 -6.5924 -6.3651 -6.3651 -6.1699 -6.1699 -5.8528 -5.8528 -5.6393 -5.6393 -5.2681 -5.2681 -5.1134 -5.1134 -4.9947 -4.9947 -4.9812 -4.9812 -4.3423 -4.3423 -4.3023 -4.3023 -4.2289 -4.2289 -4.1643 -4.1643 3.0154 3.0154 3.0821 3.0821 3.2833 3.2833 3.3279 3.3279 3.3559 3.3559 3.4645 3.4645 5.6864 5.6864 6.3393 6.3393 6.5772 6.5772 6.7205 6.7205 6.9526 6.9526 k = 0.3824 0.4924-0.0000 ( 25616 PWs) bands (ev): -17.8474 -17.8474 -17.8065 -17.8065 -17.0164 -17.0164 -17.0153 -17.0153 -6.6819 -6.6819 -6.5942 -6.5942 -6.3697 -6.3697 -6.1636 -6.1636 -5.8605 -5.8605 -5.6363 -5.6363 -5.2648 -5.2648 -5.1123 -5.1123 -4.9950 -4.9950 -4.9814 -4.9814 -4.3453 -4.3453 -4.3005 -4.3005 -4.2287 -4.2287 -4.1630 -4.1630 3.0281 3.0281 3.0762 3.0762 3.2708 3.2708 3.3312 3.3312 3.3547 3.3547 3.4757 3.4757 5.6806 5.6806 6.3131 6.3131 6.5811 6.5811 6.6992 6.6992 6.9914 6.9914 k = 0.3725 0.5094-0.0000 ( 25613 PWs) bands (ev): -17.8474 -17.8474 -17.8065 -17.8065 -17.0163 -17.0163 -17.0155 -17.0155 -6.6810 -6.6810 -6.5959 -6.5959 -6.3735 -6.3735 -6.1582 -6.1582 -5.8670 -5.8670 -5.6339 -5.6339 -5.2620 -5.2620 -5.1114 -5.1114 -4.9952 -4.9952 -4.9816 -4.9816 -4.3480 -4.3480 -4.2988 -4.2988 -4.2284 -4.2284 -4.1620 -4.1620 3.0388 3.0388 3.0726 3.0726 3.2592 3.2592 3.3339 3.3339 3.3540 3.3540 3.4851 3.4851 5.6750 5.6750 6.2913 6.2913 6.5870 6.5870 6.6788 6.6788 7.0298 7.0298 k = 0.3627 0.5264-0.0000 ( 25601 PWs) bands (ev): -17.8473 -17.8473 -17.8065 -17.8065 -17.0162 -17.0162 -17.0156 -17.0156 -6.6802 -6.6802 -6.5972 -6.5972 -6.3765 -6.3765 -6.1540 -6.1540 -5.8722 -5.8722 -5.6322 -5.6322 -5.2598 -5.2598 -5.1107 -5.1107 -4.9953 -4.9953 -4.9818 -4.9818 -4.3504 -4.3504 -4.2974 -4.2974 -4.2279 -4.2279 -4.1613 -4.1613 3.0463 3.0463 3.0721 3.0721 3.2490 3.2490 3.3358 3.3358 3.3537 3.3537 3.4926 3.4926 5.6700 5.6700 6.2741 6.2741 6.5945 6.5945 6.6603 6.6603 7.0664 7.0664 k = 0.3529 0.5434-0.0000 ( 25619 PWs) bands (ev): -17.8473 -17.8473 -17.8065 -17.8065 -17.0161 -17.0161 -17.0157 -17.0157 -6.6797 -6.6797 -6.5982 -6.5982 -6.3787 -6.3787 -6.1510 -6.1510 -5.8759 -5.8759 -5.6309 -5.6309 -5.2583 -5.2583 -5.1101 -5.1101 -4.9953 -4.9953 -4.9818 -4.9818 -4.3522 -4.3522 -4.2963 -4.2963 -4.2274 -4.2274 -4.1608 -4.1608 3.0501 3.0501 3.0740 3.0740 3.2411 3.2411 3.3369 3.3369 3.3538 3.3538 3.4981 3.4981 5.6660 5.6660 6.2618 6.2618 6.6031 6.6031 6.6442 6.6442 7.0999 7.0999 k = 0.3431 0.5604-0.0000 ( 25611 PWs) bands (ev): -17.8473 -17.8473 -17.8065 -17.8065 -17.0160 -17.0160 -17.0158 -17.0158 -6.6793 -6.6793 -6.5988 -6.5988 -6.3800 -6.3800 -6.1492 -6.1492 -5.8782 -5.8782 -5.6302 -5.6302 -5.2573 -5.2573 -5.1098 -5.1098 -4.9952 -4.9952 -4.9819 -4.9819 -4.3533 -4.3533 -4.2958 -4.2958 -4.2269 -4.2269 -4.1606 -4.1606 3.0517 3.0517 3.0761 3.0761 3.2362 3.2362 3.3374 3.3374 3.3540 3.3540 3.5014 3.5014 5.6634 5.6634 6.2543 6.2543 6.6118 6.6118 6.6313 6.6313 7.1283 7.1283 k = 0.3333 0.5774-0.0000 ( 25611 PWs) bands (ev): -17.8473 -17.8473 -17.8065 -17.8065 -17.0159 -17.0159 -17.0159 -17.0159 -6.6792 -6.6792 -6.5990 -6.5990 -6.3805 -6.3805 -6.1487 -6.1487 -5.8789 -5.8789 -5.6299 -5.6299 -5.2570 -5.2570 -5.1097 -5.1097 -4.9951 -4.9951 -4.9819 -4.9819 -4.3537 -4.3537 -4.2956 -4.2956 -4.2267 -4.2267 -4.1605 -4.1605 3.0522 3.0522 3.0769 3.0769 3.2346 3.2346 3.3375 3.3375 3.3541 3.3541 3.5025 3.5025 5.6625 5.6625 6.2518 6.2518 6.6180 6.6180 6.6239 6.6239 7.1445 7.1446 k = 0.3333 0.5774-0.0000 ( 25611 PWs) bands (ev): -17.8473 -17.8473 -17.8065 -17.8065 -17.0159 -17.0159 -17.0159 -17.0159 -6.6792 -6.6792 -6.5990 -6.5990 -6.3805 -6.3805 -6.1487 -6.1487 -5.8789 -5.8789 -5.6299 -5.6299 -5.2570 -5.2570 -5.1097 -5.1097 -4.9951 -4.9951 -4.9819 -4.9819 -4.3537 -4.3537 -4.2956 -4.2956 -4.2267 -4.2267 -4.1605 -4.1605 3.0522 3.0522 3.0769 3.0769 3.2346 3.2346 3.3375 3.3375 3.3541 3.3541 3.5025 3.5025 5.6625 5.6625 6.2518 6.2518 6.6180 6.6180 6.6239 6.6239 7.1445 7.1445 k = 0.3232 0.5599-0.0000 ( 25623 PWs) bands (ev): -17.8473 -17.8473 -17.8065 -17.8065 -17.0160 -17.0160 -17.0158 -17.0158 -6.6793 -6.6793 -6.5988 -6.5988 -6.3800 -6.3800 -6.1492 -6.1492 -5.8781 -5.8781 -5.6302 -5.6302 -5.2573 -5.2573 -5.1098 -5.1098 -4.9952 -4.9952 -4.9819 -4.9819 -4.3533 -4.3533 -4.2957 -4.2957 -4.2270 -4.2270 -4.1606 -4.1606 3.0512 3.0512 3.0767 3.0767 3.2361 3.2361 3.3374 3.3374 3.3540 3.3540 3.5013 3.5013 5.6636 5.6636 6.2544 6.2544 6.6137 6.6137 6.6292 6.6292 7.1258 7.1258 k = 0.3131 0.5424-0.0000 ( 25639 PWs) bands (ev): -17.8473 -17.8473 -17.8065 -17.8065 -17.0161 -17.0161 -17.0158 -17.0158 -6.6797 -6.6797 -6.5982 -6.5982 -6.3786 -6.3786 -6.1509 -6.1509 -5.8760 -5.8760 -5.6309 -5.6309 -5.2582 -5.2582 -5.1101 -5.1101 -4.9955 -4.9955 -4.9819 -4.9819 -4.3521 -4.3521 -4.2961 -4.2961 -4.2279 -4.2279 -4.1608 -4.1608 3.0472 3.0472 3.0778 3.0778 3.2399 3.2399 3.3370 3.3370 3.3536 3.3536 3.4978 3.4978 5.6669 5.6669 6.2622 6.2622 6.6108 6.6108 6.6344 6.6344 7.0904 7.0904 k = 0.3030 0.5249-0.0000 ( 25623 PWs) bands (ev): -17.8474 -17.8474 -17.8065 -17.8065 -17.0161 -17.0161 -17.0157 -17.0157 -6.6802 -6.6802 -6.5971 -6.5971 -6.3762 -6.3762 -6.1534 -6.1534 -5.8725 -5.8725 -5.6321 -5.6321 -5.2595 -5.2595 -5.1107 -5.1107 -4.9961 -4.9961 -4.9820 -4.9820 -4.3502 -4.3502 -4.2965 -4.2965 -4.2295 -4.2295 -4.1611 -4.1611 3.0397 3.0397 3.0815 3.0815 3.2449 3.2449 3.3361 3.3361 3.3532 3.3532 3.4921 3.4921 5.6726 5.6726 6.2750 6.2750 6.6109 6.6109 6.6365 6.6365 7.0469 7.0469 k = 0.2929 0.5074-0.0000 ( 25611 PWs) bands (ev): -17.8474 -17.8474 -17.8065 -17.8065 -17.0162 -17.0162 -17.0156 -17.0156 -6.6808 -6.6808 -6.5956 -6.5956 -6.3728 -6.3728 -6.1565 -6.1565 -5.8680 -5.8680 -5.6337 -5.6337 -5.2613 -5.2613 -5.1114 -5.1114 -4.9969 -4.9969 -4.9822 -4.9822 -4.3477 -4.3477 -4.2968 -4.2968 -4.2318 -4.2318 -4.1617 -4.1617 3.0299 3.0299 3.0875 3.0875 3.2500 3.2500 3.3344 3.3344 3.3533 3.3533 3.4844 3.4844 5.6806 5.6806 6.2926 6.2926 6.6132 6.6132 6.6344 6.6344 6.9992 6.9992 k = 0.2828 0.4899-0.0000 ( 25591 PWs) bands (ev): -17.8475 -17.8475 -17.8065 -17.8065 -17.0162 -17.0162 -17.0155 -17.0155 -6.6815 -6.6815 -6.5939 -6.5939 -6.3686 -6.3686 -6.1602 -6.1602 -5.8627 -5.8627 -5.6357 -5.6357 -5.2633 -5.2633 -5.1122 -5.1122 -4.9981 -4.9981 -4.9827 -4.9827 -4.3446 -4.3446 -4.2970 -4.2970 -4.2350 -4.2350 -4.1626 -4.1626 3.0191 3.0191 3.0951 3.0951 3.2545 3.2545 3.3314 3.3314 3.3541 3.3541 3.4747 3.4747 5.6907 5.6907 6.3146 6.3146 6.6159 6.6159 6.6272 6.6272 6.9516 6.9516 k = 0.2727 0.4724-0.0000 ( 25609 PWs) bands (ev): -17.8477 -17.8477 -17.8065 -17.8065 -17.0161 -17.0161 -17.0154 -17.0154 -6.6823 -6.6823 -6.5918 -6.5918 -6.3634 -6.3634 -6.1641 -6.1641 -5.8566 -5.8566 -5.6381 -5.6381 -5.2655 -5.2655 -5.1131 -5.1131 -4.9996 -4.9996 -4.9835 -4.9835 -4.3412 -4.3412 -4.2969 -4.2969 -4.2388 -4.2388 -4.1639 -4.1639 3.0082 3.0082 3.1038 3.1038 3.2578 3.2578 3.3272 3.3272 3.3558 3.3558 3.4635 3.4635 5.7025 5.7025 6.3406 6.3406 6.6126 6.6126 6.6176 6.6176 6.9092 6.9092 k = 0.2626 0.4549-0.0000 ( 25605 PWs) bands (ev): -17.8478 -17.8478 -17.8065 -17.8065 -17.0161 -17.0161 -17.0153 -17.0153 -6.6831 -6.6831 -6.5895 -6.5895 -6.3573 -6.3573 -6.1681 -6.1681 -5.8501 -5.8501 -5.6408 -5.6408 -5.2678 -5.2678 -5.1142 -5.1142 -5.0013 -5.0013 -4.9846 -4.9846 -4.3376 -4.3376 -4.2964 -4.2964 -4.2431 -4.2431 -4.1657 -4.1657 2.9977 2.9977 3.1132 3.1132 3.2597 3.2597 3.3218 3.3218 3.3583 3.3583 3.4511 3.4511 5.7157 5.7157 6.3700 6.3700 6.5931 6.5931 6.6109 6.6109 6.8782 6.8782 k = 0.2525 0.4374-0.0000 ( 25619 PWs) bands (ev): -17.8480 -17.8480 -17.8066 -17.8066 -17.0160 -17.0160 -17.0153 -17.0153 -6.6839 -6.6839 -6.5871 -6.5871 -6.3503 -6.3503 -6.1719 -6.1719 -5.8434 -5.8434 -5.6439 -5.6439 -5.2701 -5.2701 -5.1153 -5.1153 -5.0033 -5.0033 -4.9862 -4.9862 -4.3340 -4.3340 -4.2955 -4.2955 -4.2480 -4.2480 -4.1680 -4.1680 2.9881 2.9881 3.1230 3.1230 3.2597 3.2597 3.3154 3.3154 3.3612 3.3612 3.4379 3.4379 5.7294 5.7294 6.4023 6.4023 6.5660 6.5660 6.5939 6.5939 6.8638 6.8638 k = 0.2424 0.4199-0.0000 ( 25633 PWs) bands (ev): -17.8482 -17.8482 -17.8066 -17.8066 -17.0159 -17.0159 -17.0152 -17.0152 -6.6846 -6.6846 -6.5845 -6.5845 -6.3426 -6.3426 -6.1755 -6.1755 -5.8365 -5.8365 -5.6473 -5.6473 -5.2723 -5.2723 -5.1164 -5.1164 -5.0056 -5.0056 -4.9881 -4.9881 -4.3307 -4.3307 -4.2942 -4.2942 -4.2530 -4.2530 -4.1708 -4.1708 2.9798 2.9798 3.1326 3.1326 3.2580 3.2580 3.3082 3.3082 3.3642 3.3642 3.4249 3.4249 5.7430 5.7430 6.4365 6.4365 6.5319 6.5319 6.5660 6.5660 6.8674 6.8674 k = 0.2323 0.4024-0.0000 ( 25647 PWs) bands (ev): -17.8484 -17.8484 -17.8066 -17.8066 -17.0158 -17.0158 -17.0152 -17.0152 -6.6851 -6.6851 -6.5819 -6.5819 -6.3341 -6.3341 -6.1788 -6.1788 -5.8297 -5.8297 -5.6510 -5.6510 -5.2743 -5.2743 -5.1176 -5.1176 -5.0080 -5.0080 -4.9904 -4.9904 -4.3278 -4.3278 -4.2926 -4.2926 -4.2580 -4.2580 -4.1743 -4.1743 2.9731 2.9731 3.1417 3.1417 3.2544 3.2544 3.3004 3.3004 3.3659 3.3659 3.4134 3.4134 5.7553 5.7553 6.4716 6.4716 6.4914 6.4914 6.5312 6.5312 6.8858 6.8858 k = 0.2222 0.3849-0.0000 ( 25659 PWs) bands (ev): -17.8487 -17.8487 -17.8066 -17.8066 -17.0156 -17.0156 -17.0151 -17.0151 -6.6856 -6.6856 -6.5793 -6.5793 -6.3248 -6.3248 -6.1815 -6.1815 -5.8231 -5.8231 -5.6549 -5.6549 -5.2761 -5.2761 -5.1189 -5.1189 -5.0106 -5.0106 -4.9931 -4.9931 -4.3255 -4.3255 -4.2911 -4.2911 -4.2625 -4.2625 -4.1784 -4.1784 2.9681 2.9681 3.1496 3.1496 3.2491 3.2491 3.2920 3.2920 3.3642 3.3642 3.4062 3.4062 5.7653 5.7653 6.4452 6.4452 6.4935 6.4935 6.5071 6.5071 6.9148 6.9148 k = 0.2121 0.3674-0.0000 ( 25687 PWs) bands (ev): -17.8489 -17.8489 -17.8067 -17.8067 -17.0154 -17.0154 -17.0151 -17.0151 -6.6859 -6.6859 -6.5768 -6.5768 -6.3149 -6.3149 -6.1835 -6.1835 -5.8168 -5.8168 -5.6590 -5.6590 -5.2777 -5.2777 -5.1202 -5.1202 -5.0133 -5.0133 -4.9959 -4.9959 -4.3238 -4.3238 -4.2906 -4.2906 -4.2657 -4.2657 -4.1829 -4.1829 2.9650 2.9650 3.1559 3.1559 3.2422 3.2422 3.2832 3.2832 3.3575 3.3575 3.4053 3.4053 5.7715 5.7715 6.3953 6.3953 6.4579 6.4579 6.5397 6.5397 6.9506 6.9506 k = 0.2020 0.3499-0.0000 ( 25671 PWs) bands (ev): -17.8492 -17.8492 -17.8067 -17.8067 -17.0152 -17.0152 -17.0150 -17.0150 -6.6861 -6.6861 -6.5744 -6.5744 -6.3044 -6.3044 -6.1849 -6.1849 -5.8111 -5.8111 -5.6633 -5.6633 -5.2789 -5.2789 -5.1217 -5.1217 -5.0162 -5.0162 -4.9990 -4.9990 -4.3228 -4.3228 -4.2918 -4.2918 -4.2668 -4.2668 -4.1879 -4.1879 2.9640 2.9640 3.1598 3.1598 3.2339 3.2339 3.2741 3.2741 3.3477 3.3477 3.4092 3.4092 5.7724 5.7724 6.3430 6.3430 6.4253 6.4253 6.5690 6.5690 6.9405 6.9405 k = 0.1919 0.3324-0.0000 ( 25659 PWs) bands (ev): -17.8495 -17.8495 -17.8067 -17.8067 -17.0150 -17.0150 -17.0150 -17.0150 -6.6861 -6.6861 -6.5721 -6.5721 -6.2933 -6.2933 -6.1855 -6.1855 -5.8059 -5.8059 -5.6677 -5.6677 -5.2797 -5.2797 -5.1235 -5.1235 -5.0190 -5.0190 -5.0020 -5.0020 -4.3227 -4.3227 -4.2947 -4.2947 -4.2659 -4.2659 -4.1932 -4.1932 2.9652 2.9652 3.1608 3.1608 3.2246 3.2246 3.2649 3.2649 3.3374 3.3374 3.4159 3.4159 5.7664 5.7664 6.2905 6.2905 6.3976 6.3976 6.5926 6.5926 6.9218 6.9218 k = 0.1818 0.3149-0.0000 ( 25673 PWs) bands (ev): -17.8498 -17.8498 -17.8068 -17.8068 -17.0150 -17.0150 -17.0148 -17.0148 -6.6860 -6.6860 -6.5701 -6.5701 -6.2818 -6.2818 -6.1854 -6.1854 -5.8014 -5.8014 -5.6721 -5.6721 -5.2802 -5.2802 -5.1255 -5.1255 -5.0218 -5.0218 -5.0051 -5.0051 -4.3238 -4.3238 -4.2982 -4.2982 -4.2640 -4.2640 -4.1986 -4.1986 2.9685 2.9685 3.1584 3.1584 3.2143 3.2143 3.2558 3.2558 3.3282 3.3282 3.4242 3.4242 5.7520 5.7520 6.2397 6.2397 6.3756 6.3756 6.6089 6.6089 6.9051 6.9051 k = 0.1717 0.2974-0.0000 ( 25675 PWs) bands (ev): -17.8502 -17.8502 -17.8068 -17.8068 -17.0150 -17.0150 -17.0145 -17.0145 -6.6858 -6.6858 -6.5683 -6.5683 -6.2698 -6.2698 -6.1844 -6.1844 -5.7976 -5.7976 -5.6766 -5.6766 -5.2803 -5.2803 -5.1278 -5.1278 -5.0245 -5.0245 -5.0080 -5.0080 -4.3262 -4.3262 -4.3014 -4.3014 -4.2618 -4.2618 -4.2038 -4.2038 2.9741 2.9741 3.1526 3.1526 3.2033 3.2033 3.2467 3.2467 3.3208 3.3208 3.4334 3.4334 5.7277 5.7277 6.1924 6.1924 6.3601 6.3601 6.6166 6.6166 6.8906 6.8906 k = 0.1616 0.2799-0.0000 ( 25661 PWs) bands (ev): -17.8505 -17.8505 -17.8068 -17.8068 -17.0149 -17.0149 -17.0142 -17.0142 -6.6854 -6.6854 -6.5668 -6.5668 -6.2576 -6.2576 -6.1826 -6.1826 -5.7947 -5.7947 -5.6809 -5.6809 -5.2801 -5.2801 -5.1306 -5.1306 -5.0269 -5.0269 -5.0107 -5.0107 -4.3301 -4.3301 -4.3041 -4.3041 -4.2599 -4.2599 -4.2086 -4.2086 2.9817 2.9817 3.1438 3.1438 3.1918 3.1918 3.2378 3.2378 3.3151 3.3151 3.4433 3.4433 5.6930 5.6930 6.1502 6.1502 6.3513 6.3513 6.6155 6.6155 6.8780 6.8780 k = 0.1515 0.2624-0.0000 ( 25675 PWs) bands (ev): -17.8508 -17.8508 -17.8069 -17.8069 -17.0149 -17.0149 -17.0140 -17.0140 -6.6849 -6.6849 -6.5655 -6.5655 -6.2451 -6.2451 -6.1800 -6.1800 -5.7927 -5.7927 -5.6852 -5.6852 -5.2796 -5.2796 -5.1338 -5.1338 -5.0289 -5.0289 -5.0132 -5.0132 -4.3350 -4.3350 -4.3065 -4.3065 -4.2586 -4.2586 -4.2127 -4.2127 2.9911 2.9911 3.1328 3.1328 3.1800 3.1800 3.2292 3.2292 3.3109 3.3109 3.4538 3.4538 5.6482 5.6482 6.1133 6.1133 6.3495 6.3495 6.6063 6.6063 6.8674 6.8674 k = 0.1414 0.2449-0.0000 ( 25671 PWs) bands (ev): -17.8512 -17.8512 -17.8069 -17.8069 -17.0149 -17.0149 -17.0137 -17.0137 -6.6843 -6.6843 -6.5645 -6.5645 -6.2326 -6.2326 -6.1766 -6.1766 -5.7915 -5.7915 -5.6894 -5.6894 -5.2787 -5.2787 -5.1374 -5.1374 -5.0305 -5.0305 -5.0155 -5.0155 -4.3407 -4.3407 -4.3090 -4.3090 -4.2579 -4.2579 -4.2158 -4.2158 3.0020 3.0020 3.1203 3.1203 3.1683 3.1683 3.2207 3.2207 3.3075 3.3075 3.4647 3.4647 5.5948 5.5948 6.0815 6.0815 6.3549 6.3549 6.5907 6.5907 6.8587 6.8587 k = 0.1313 0.2274-0.0000 ( 25681 PWs) bands (ev): -17.8515 -17.8515 -17.8069 -17.8069 -17.0149 -17.0149 -17.0134 -17.0134 -6.6837 -6.6837 -6.5637 -6.5637 -6.2201 -6.2201 -6.1725 -6.1725 -5.7912 -5.7912 -5.6935 -5.6935 -5.2776 -5.2776 -5.1415 -5.1415 -5.0316 -5.0316 -5.0176 -5.0176 -4.3467 -4.3467 -4.3120 -4.3120 -4.2577 -4.2577 -4.2179 -4.2179 3.0138 3.0138 3.1073 3.1073 3.1574 3.1574 3.2126 3.2126 3.3046 3.3046 3.4758 3.4758 5.5349 5.5349 6.0539 6.0539 6.3672 6.3672 6.5705 6.5705 6.8422 6.8422 k = 0.1212 0.2099-0.0000 ( 25647 PWs) bands (ev): -17.8519 -17.8519 -17.8070 -17.8070 -17.0149 -17.0149 -17.0131 -17.0131 -6.6830 -6.6830 -6.5631 -6.5631 -6.2078 -6.2078 -6.1678 -6.1678 -5.7916 -5.7916 -5.6973 -5.6973 -5.2764 -5.2764 -5.1459 -5.1459 -5.0322 -5.0322 -5.0194 -5.0194 -4.3528 -4.3528 -4.3157 -4.3157 -4.2579 -4.2579 -4.2192 -4.2192 3.0250 3.0250 3.0945 3.0945 3.1481 3.1481 3.2049 3.2049 3.3019 3.3019 3.4869 3.4869 5.4705 5.4705 6.0294 6.0294 6.3864 6.3864 6.5473 6.5473 6.7746 6.7746 k = 0.1111 0.1925-0.0000 ( 25647 PWs) bands (ev): -17.8522 -17.8522 -17.8070 -17.8070 -17.0149 -17.0149 -17.0128 -17.0128 -6.6822 -6.6822 -6.5628 -6.5628 -6.1958 -6.1958 -6.1624 -6.1624 -5.7927 -5.7927 -5.7011 -5.7011 -5.2750 -5.2750 -5.1506 -5.1506 -5.0323 -5.0323 -5.0211 -5.0211 -4.3588 -4.3588 -4.3201 -4.3201 -4.2580 -4.2580 -4.2198 -4.2198 3.0336 3.0336 3.0833 3.0833 3.1419 3.1419 3.1977 3.1977 3.2991 3.2991 3.4981 3.4981 5.4038 5.4038 6.0073 6.0073 6.4119 6.4119 6.5225 6.5225 6.7111 6.7111 k = 0.1010 0.1750-0.0000 ( 25653 PWs) bands (ev): -17.8525 -17.8525 -17.8070 -17.8070 -17.0149 -17.0149 -17.0126 -17.0126 -6.6815 -6.6815 -6.5626 -6.5626 -6.1844 -6.1844 -6.1566 -6.1566 -5.7945 -5.7945 -5.7046 -5.7046 -5.2736 -5.2736 -5.1553 -5.1553 -5.0320 -5.0320 -5.0225 -5.0225 -4.3647 -4.3647 -4.3250 -4.3250 -4.2580 -4.2580 -4.2201 -4.2201 3.0363 3.0363 3.0747 3.0747 3.1409 3.1409 3.1909 3.1909 3.2962 3.2962 3.5090 3.5090 5.3365 5.3365 5.9873 5.9873 6.4434 6.4434 6.4974 6.4974 6.6521 6.6521 k = 0.0909 0.1575-0.0000 ( 25661 PWs) bands (ev): -17.8528 -17.8528 -17.8071 -17.8071 -17.0150 -17.0150 -17.0123 -17.0123 -6.6807 -6.6807 -6.5625 -6.5625 -6.1737 -6.1737 -6.1503 -6.1503 -5.7966 -5.7966 -5.7080 -5.7080 -5.2723 -5.2723 -5.1600 -5.1600 -5.0314 -5.0314 -5.0236 -5.0236 -4.3704 -4.3704 -4.3303 -4.3303 -4.2577 -4.2577 -4.2202 -4.2202 3.0322 3.0322 3.0685 3.0685 3.1465 3.1465 3.1847 3.1847 3.2934 3.2934 3.5196 3.5196 5.2701 5.2701 5.9689 5.9689 6.4728 6.4728 6.4803 6.4803 6.5978 6.5978 k = 0.0808 0.1400-0.0000 ( 25665 PWs) bands (ev): -17.8531 -17.8531 -17.8071 -17.8071 -17.0150 -17.0150 -17.0121 -17.0121 -6.6800 -6.6800 -6.5626 -6.5626 -6.1640 -6.1640 -6.1436 -6.1436 -5.7991 -5.7991 -5.7113 -5.7113 -5.2710 -5.2710 -5.1646 -5.1646 -5.0306 -5.0306 -5.0246 -5.0246 -4.3758 -4.3758 -4.3357 -4.3357 -4.2573 -4.2573 -4.2202 -4.2202 3.0241 3.0241 3.0625 3.0625 3.1576 3.1576 3.1793 3.1793 3.2908 3.2908 3.5297 3.5297 5.2062 5.2062 5.9522 5.9522 6.4495 6.4495 6.5215 6.5215 6.5485 6.5485 k = 0.0707 0.1225-0.0000 ( 25667 PWs) bands (ev): -17.8533 -17.8533 -17.8071 -17.8071 -17.0150 -17.0150 -17.0119 -17.0119 -6.6793 -6.6793 -6.5627 -6.5627 -6.1554 -6.1554 -6.1368 -6.1368 -5.8017 -5.8017 -5.7144 -5.7144 -5.2699 -5.2699 -5.1687 -5.1687 -5.0296 -5.0296 -5.0254 -5.0254 -4.3808 -4.3808 -4.3409 -4.3409 -4.2567 -4.2567 -4.2202 -4.2202 3.0149 3.0149 3.0559 3.0559 3.1701 3.1701 3.1761 3.1761 3.2888 3.2888 3.5390 3.5390 5.1459 5.1459 5.9372 5.9372 6.4280 6.4280 6.5043 6.5043 6.5663 6.5663 k = 0.0606 0.1050-0.0000 ( 25659 PWs) bands (ev): -17.8535 -17.8535 -17.8071 -17.8071 -17.0150 -17.0150 -17.0117 -17.0117 -6.6787 -6.6787 -6.5629 -6.5629 -6.1479 -6.1479 -6.1300 -6.1300 -5.8043 -5.8043 -5.7172 -5.7172 -5.2690 -5.2690 -5.1725 -5.1725 -5.0288 -5.0288 -5.0257 -5.0257 -4.3854 -4.3854 -4.3457 -4.3457 -4.2561 -4.2561 -4.2202 -4.2202 3.0059 3.0059 3.0492 3.0492 3.1690 3.1690 3.1878 3.1878 3.2876 3.2876 3.5476 3.5476 5.0905 5.0905 5.9239 5.9239 6.4085 6.4085 6.4656 6.4656 6.6130 6.6130 k = 0.0505 0.0875-0.0000 ( 25671 PWs) bands (ev): -17.8537 -17.8537 -17.8072 -17.8072 -17.0150 -17.0150 -17.0115 -17.0115 -6.6781 -6.6781 -6.5631 -6.5631 -6.1416 -6.1416 -6.1237 -6.1237 -5.8067 -5.8067 -5.7198 -5.7198 -5.2683 -5.2683 -5.1757 -5.1757 -5.0284 -5.0284 -5.0256 -5.0256 -4.3896 -4.3896 -4.3499 -4.3499 -4.2555 -4.2555 -4.2202 -4.2202 2.9977 2.9977 3.0430 3.0430 3.1654 3.1654 3.2014 3.2014 3.2879 3.2879 3.5551 3.5551 5.0411 5.0411 5.9125 5.9125 6.3914 6.3914 6.4327 6.4327 6.6596 6.6596 k = 0.0404 0.0700-0.0000 ( 25683 PWs) bands (ev): -17.8539 -17.8539 -17.8072 -17.8072 -17.0150 -17.0150 -17.0114 -17.0114 -6.6777 -6.6777 -6.5633 -6.5633 -6.1363 -6.1363 -6.1180 -6.1180 -5.8089 -5.8089 -5.7221 -5.7221 -5.2678 -5.2678 -5.1784 -5.1784 -5.0284 -5.0284 -5.0249 -5.0249 -4.3931 -4.3931 -4.3535 -4.3535 -4.2550 -4.2550 -4.2203 -4.2203 2.9908 2.9908 3.0375 3.0375 3.1624 3.1624 3.2126 3.2126 3.2897 3.2897 3.5615 3.5615 4.9988 4.9988 5.9029 5.9029 6.3769 6.3769 6.4058 6.4058 6.7033 6.7033 k = 0.0303 0.0525-0.0000 ( 25677 PWs) bands (ev): -17.8540 -17.8540 -17.8072 -17.8072 -17.0150 -17.0150 -17.0113 -17.0113 -6.6773 -6.6773 -6.5635 -6.5635 -6.1322 -6.1322 -6.1134 -6.1134 -5.8107 -5.8107 -5.7239 -5.7239 -5.2675 -5.2675 -5.1804 -5.1804 -5.0286 -5.0286 -5.0242 -5.0242 -4.3960 -4.3960 -4.3563 -4.3563 -4.2545 -4.2545 -4.2203 -4.2203 2.9852 2.9852 3.0331 3.0331 3.1600 3.1600 3.2205 3.2205 3.2929 3.2929 3.5667 3.5667 4.9646 4.9646 5.8954 5.8954 6.3648 6.3648 6.3853 6.3853 6.7400 6.7400 k = 0.0202 0.0350-0.0000 ( 25683 PWs) bands (ev): -17.8541 -17.8541 -17.8072 -17.8072 -17.0150 -17.0150 -17.0112 -17.0112 -6.6770 -6.6770 -6.5636 -6.5636 -6.1292 -6.1292 -6.1099 -6.1099 -5.8121 -5.8121 -5.7253 -5.7253 -5.2673 -5.2673 -5.1819 -5.1819 -5.0287 -5.0287 -5.0236 -5.0236 -4.3981 -4.3981 -4.3583 -4.3583 -4.2542 -4.2542 -4.2204 -4.2204 2.9812 2.9812 3.0298 3.0298 3.1583 3.1583 3.2254 3.2254 3.2966 3.2966 3.5704 3.5704 4.9395 4.9395 5.8900 5.8900 6.3552 6.3552 6.3714 6.3714 6.7656 6.7656 k = 0.0101 0.0175-0.0000 ( 25685 PWs) bands (ev): -17.8541 -17.8541 -17.8072 -17.8072 -17.0150 -17.0150 -17.0111 -17.0111 -6.6768 -6.6768 -6.5637 -6.5637 -6.1274 -6.1274 -6.1078 -6.1078 -5.8129 -5.8129 -5.7262 -5.7262 -5.2672 -5.2672 -5.1828 -5.1828 -5.0289 -5.0289 -5.0232 -5.0232 -4.3994 -4.3994 -4.3595 -4.3595 -4.2540 -4.2540 -4.2204 -4.2204 2.9787 2.9787 3.0278 3.0278 3.1572 3.1572 3.2279 3.2279 3.2995 3.2995 3.5727 3.5727 4.9242 4.9242 5.8867 5.8867 6.3488 6.3488 6.3636 6.3636 6.7793 6.7793 k = 0.0000 0.0000 0.0000 ( 25715 PWs) bands (ev): -17.8542 -17.8542 -17.8072 -17.8072 -17.0150 -17.0150 -17.0111 -17.0111 -6.6768 -6.6768 -6.5637 -6.5637 -6.1268 -6.1268 -6.1071 -6.1071 -5.8132 -5.8132 -5.7264 -5.7264 -5.2672 -5.2672 -5.1831 -5.1831 -5.0289 -5.0289 -5.0231 -5.0231 -4.3998 -4.3998 -4.3599 -4.3599 -4.2539 -4.2539 -4.2204 -4.2204 2.9779 2.9779 3.0272 3.0272 3.1569 3.1569 3.2286 3.2286 3.3006 3.3006 3.5735 3.5735 4.9190 4.9190 5.8856 5.8856 6.3465 6.3465 6.3612 6.3612 6.7834 6.7834 k = 0.0000 0.0000 0.0000 ( 25715 PWs) bands (ev): -17.8542 -17.8542 -17.8072 -17.8072 -17.0150 -17.0150 -17.0111 -17.0111 -6.6768 -6.6768 -6.5637 -6.5637 -6.1268 -6.1268 -6.1071 -6.1071 -5.8132 -5.8132 -5.7264 -5.7264 -5.2672 -5.2672 -5.1831 -5.1831 -5.0289 -5.0289 -5.0231 -5.0231 -4.3998 -4.3998 -4.3599 -4.3599 -4.2539 -4.2539 -4.2204 -4.2204 2.9779 2.9779 3.0272 3.0272 3.1569 3.1569 3.2286 3.2286 3.3006 3.3006 3.5735 3.5735 4.9190 4.9190 5.8856 5.8856 6.3465 6.3465 6.3612 6.3612 6.7834 6.7834 k = 0.0000 0.0000 0.0201 ( 25679 PWs) bands (ev): -17.8541 -17.8541 -17.8073 -17.8073 -17.0150 -17.0150 -17.0111 -17.0111 -6.6765 -6.6765 -6.5638 -6.5638 -6.1269 -6.1269 -6.1073 -6.1073 -5.8129 -5.8129 -5.7265 -5.7265 -5.2669 -5.2669 -5.1828 -5.1828 -5.0295 -5.0295 -5.0234 -5.0234 -4.3995 -4.3995 -4.3596 -4.3596 -4.2542 -4.2542 -4.2206 -4.2206 2.9783 2.9783 3.0277 3.0277 3.1566 3.1566 3.2281 3.2281 3.3000 3.3000 3.5705 3.5705 4.9239 4.9239 5.8907 5.8907 6.3485 6.3485 6.3632 6.3632 6.7844 6.7844 k = 0.0000 0.0000 0.0403 ( 25655 PWs) bands (ev): -17.8538 -17.8538 -17.8076 -17.8076 -17.0150 -17.0150 -17.0111 -17.0111 -6.6755 -6.6755 -6.5641 -6.5641 -6.1272 -6.1272 -6.1080 -6.1080 -5.8120 -5.8120 -5.7267 -5.7267 -5.2660 -5.2660 -5.1820 -5.1820 -5.0313 -5.0313 -5.0245 -5.0245 -4.3985 -4.3985 -4.3587 -4.3587 -4.2548 -4.2548 -4.2213 -4.2213 2.9796 2.9796 3.0291 3.0291 3.1556 3.1556 3.2264 3.2264 3.2982 3.2982 3.5617 3.5617 4.9386 4.9386 5.9059 5.9059 6.3548 6.3548 6.3693 6.3693 6.7874 6.7874 k = 0.0000 0.0000 0.0604 ( 25607 PWs) bands (ev): -17.8534 -17.8534 -17.8080 -17.8080 -17.0149 -17.0149 -17.0112 -17.0112 -6.6739 -6.6739 -6.5647 -6.5647 -6.1277 -6.1277 -6.1091 -6.1091 -5.8105 -5.8105 -5.7270 -5.7270 -5.2645 -5.2645 -5.1807 -5.1807 -5.0343 -5.0343 -5.0263 -5.0263 -4.3968 -4.3968 -4.3571 -4.3571 -4.2560 -4.2560 -4.2224 -4.2224 2.9818 2.9818 3.0315 3.0315 3.1541 3.1541 3.2236 3.2236 3.2953 3.2953 3.5475 3.5475 4.9627 4.9627 5.9310 5.9310 6.3652 6.3652 6.3793 6.3793 6.7923 6.7923 k = 0.0000 0.0000 0.0806 ( 25613 PWs) bands (ev): -17.8528 -17.8528 -17.8086 -17.8086 -17.0149 -17.0149 -17.0112 -17.0112 -6.6717 -6.6717 -6.5654 -6.5654 -6.1285 -6.1285 -6.1106 -6.1106 -5.8084 -5.8084 -5.7275 -5.7275 -5.2624 -5.2624 -5.1789 -5.1789 -5.0384 -5.0384 -5.0288 -5.0288 -4.3945 -4.3945 -4.3549 -4.3549 -4.2576 -4.2576 -4.2240 -4.2240 2.9848 2.9848 3.0348 3.0348 3.1522 3.1522 3.2198 3.2198 3.2913 3.2913 3.5286 3.5286 4.9955 4.9955 5.9656 5.9656 6.3796 6.3796 6.3932 6.3932 6.7991 6.7991 k = 0.0000 0.0000 0.1007 ( 25643 PWs) bands (ev): -17.8520 -17.8520 -17.8094 -17.8094 -17.0148 -17.0148 -17.0113 -17.0113 -6.6689 -6.6689 -6.5664 -6.5664 -6.1293 -6.1293 -6.1125 -6.1125 -5.8058 -5.8058 -5.7282 -5.7282 -5.2596 -5.2596 -5.1765 -5.1765 -5.0435 -5.0435 -5.0319 -5.0319 -4.3915 -4.3915 -4.3521 -4.3521 -4.2596 -4.2596 -4.2260 -4.2260 2.9887 2.9887 3.0391 3.0391 3.1500 3.1500 3.2150 3.2150 3.2863 3.2863 3.5060 3.5060 5.0366 5.0366 6.0095 6.0095 6.3979 6.3979 6.4109 6.4109 6.8075 6.8075 k = 0.0000 0.0000 0.1209 ( 25637 PWs) bands (ev): -17.8511 -17.8511 -17.8104 -17.8104 -17.0147 -17.0147 -17.0113 -17.0113 -6.6656 -6.6656 -6.5677 -6.5677 -6.1303 -6.1303 -6.1146 -6.1146 -5.8028 -5.8028 -5.7290 -5.7290 -5.2563 -5.2563 -5.1737 -5.1737 -5.0497 -5.0497 -5.0357 -5.0357 -4.3880 -4.3880 -4.3488 -4.3488 -4.2621 -4.2621 -4.2285 -4.2285 2.9933 2.9933 3.0442 3.0442 3.1476 3.1476 3.2092 3.2092 3.2802 3.2802 3.4806 3.4806 5.0851 5.0851 6.0619 6.0619 6.4200 6.4200 6.4322 6.4322 6.8175 6.8175 k = 0.0000 0.0000 0.1410 ( 25625 PWs) bands (ev): -17.8500 -17.8500 -17.8115 -17.8115 -17.0146 -17.0146 -17.0114 -17.0114 -6.6618 -6.6618 -6.5692 -6.5692 -6.1314 -6.1314 -6.1170 -6.1170 -5.7994 -5.7994 -5.7299 -5.7299 -5.2523 -5.2523 -5.1704 -5.1704 -5.0569 -5.0569 -5.0400 -5.0400 -4.3840 -4.3840 -4.3450 -4.3450 -4.2650 -4.2650 -4.2313 -4.2313 2.9987 2.9987 3.0502 3.0502 3.1453 3.1453 3.2025 3.2025 3.2732 3.2732 3.4531 3.4531 5.1405 5.1405 6.1225 6.1225 6.4457 6.4457 6.4570 6.4570 6.8286 6.8286 k = 0.0000 0.0000 0.1611 ( 25650 PWs) bands (ev): -17.8488 -17.8488 -17.8128 -17.8128 -17.0145 -17.0145 -17.0115 -17.0115 -6.6576 -6.6576 -6.5710 -6.5710 -6.1326 -6.1326 -6.1195 -6.1195 -5.7956 -5.7956 -5.7311 -5.7311 -5.2476 -5.2476 -5.1667 -5.1667 -5.0649 -5.0649 -5.0448 -5.0448 -4.3794 -4.3794 -4.3408 -4.3408 -4.2683 -4.2683 -4.2346 -4.2346 3.0048 3.0048 3.0569 3.0569 3.1432 3.1432 3.1950 3.1950 3.2653 3.2653 3.4245 3.4245 5.2021 5.2021 6.1905 6.1905 6.4748 6.4748 6.4850 6.4850 6.8404 6.8404 k = 0.0000 0.0000 0.1813 ( 25668 PWs) bands (ev): -17.8474 -17.8474 -17.8142 -17.8142 -17.0144 -17.0144 -17.0116 -17.0116 -6.6530 -6.6530 -6.5731 -6.5731 -6.1338 -6.1338 -6.1220 -6.1220 -5.7917 -5.7917 -5.7325 -5.7325 -5.2424 -5.2424 -5.1625 -5.1625 -5.0736 -5.0736 -5.0502 -5.0502 -4.3744 -4.3744 -4.3361 -4.3361 -4.2719 -4.2719 -4.2382 -4.2382 3.0116 3.0116 3.0645 3.0645 3.1418 3.1418 3.1868 3.1868 3.2566 3.2566 3.3955 3.3955 5.2694 5.2694 6.2652 6.2652 6.5070 6.5070 6.5158 6.5158 6.8520 6.8520 k = 0.0000 0.0000 0.2014 ( 25656 PWs) bands (ev): -17.8459 -17.8459 -17.8157 -17.8157 -17.0142 -17.0142 -17.0117 -17.0117 -6.6481 -6.6481 -6.5754 -6.5754 -6.1350 -6.1350 -6.1245 -6.1245 -5.7876 -5.7876 -5.7340 -5.7340 -5.2364 -5.2364 -5.1578 -5.1578 -5.0830 -5.0830 -5.0559 -5.0559 -4.3691 -4.3691 -4.3311 -4.3311 -4.2760 -4.2760 -4.2422 -4.2422 3.0190 3.0190 3.0728 3.0728 3.1410 3.1410 3.1779 3.1779 3.2473 3.2473 3.3667 3.3667 5.3420 5.3420 6.3461 6.3461 6.5420 6.5420 6.5493 6.5493 6.8489 6.8489 k = 0.0000 0.0000 0.2216 ( 25650 PWs) bands (ev): -17.8443 -17.8443 -17.8174 -17.8174 -17.0141 -17.0141 -17.0119 -17.0119 -6.6429 -6.6429 -6.5781 -6.5781 -6.1360 -6.1360 -6.1270 -6.1270 -5.7834 -5.7834 -5.7358 -5.7358 -5.2299 -5.2299 -5.1528 -5.1528 -5.0929 -5.0929 -5.0619 -5.0619 -4.3634 -4.3634 -4.3257 -4.3257 -4.2804 -4.2804 -4.2466 -4.2466 3.0271 3.0271 3.0817 3.0817 3.1413 3.1413 3.1684 3.1684 3.2372 3.2372 3.3387 3.3387 5.4193 5.4193 6.4323 6.4323 6.5795 6.5795 6.5851 6.5851 6.7630 6.7630 k = 0.0000 0.0000 0.2417 ( 25626 PWs) bands (ev): -17.8426 -17.8426 -17.8191 -17.8191 -17.0139 -17.0139 -17.0120 -17.0120 -6.6376 -6.6376 -6.5811 -6.5811 -6.1370 -6.1370 -6.1293 -6.1293 -5.7791 -5.7791 -5.7379 -5.7379 -5.2227 -5.2227 -5.1475 -5.1475 -5.1033 -5.1033 -5.0683 -5.0683 -4.3574 -4.3574 -4.3202 -4.3202 -4.2852 -4.2852 -4.2512 -4.2512 3.0356 3.0356 3.0912 3.0912 3.1429 3.1429 3.1584 3.1584 3.2267 3.2267 3.3118 3.3118 5.5010 5.5010 6.5229 6.5229 6.6191 6.6191 6.6228 6.6228 6.6653 6.6653 k = 0.0000 0.0000 0.2618 ( 25620 PWs) bands (ev): -17.8408 -17.8408 -17.8210 -17.8210 -17.0138 -17.0138 -17.0121 -17.0121 -6.6322 -6.6322 -6.5844 -6.5844 -6.1378 -6.1378 -6.1315 -6.1315 -5.7748 -5.7748 -5.7401 -5.7401 -5.2149 -5.2149 -5.1417 -5.1417 -5.1139 -5.1139 -5.0749 -5.0749 -4.3513 -4.3513 -4.3144 -4.3144 -4.2903 -4.2903 -4.2562 -4.2562 3.0446 3.0446 3.1013 3.1013 3.1459 3.1459 3.1481 3.1481 3.2157 3.2157 3.2865 3.2865 5.5866 5.5866 6.5655 6.5655 6.6162 6.6162 6.6602 6.6602 6.6631 6.6631 k = 0.0000 0.0000 0.2820 ( 25608 PWs) bands (ev): -17.8389 -17.8389 -17.8229 -17.8229 -17.0136 -17.0136 -17.0123 -17.0123 -6.6267 -6.6267 -6.5880 -6.5880 -6.1385 -6.1385 -6.1334 -6.1334 -5.7706 -5.7706 -5.7426 -5.7426 -5.2065 -5.2065 -5.1357 -5.1357 -5.1248 -5.1248 -5.0817 -5.0817 -4.3450 -4.3450 -4.3085 -4.3085 -4.2956 -4.2956 -4.2614 -4.2614 3.0540 3.0540 3.1119 3.1119 3.1376 3.1376 3.1506 3.1506 3.2044 3.2044 3.2629 3.2629 5.6758 5.6758 6.4645 6.4645 6.6921 6.6921 6.7023 6.7023 6.7245 6.7245 k = 0.0000 0.0000 0.3021 ( 25614 PWs) bands (ev): -17.8370 -17.8370 -17.8248 -17.8248 -17.0134 -17.0134 -17.0124 -17.0124 -6.6213 -6.6213 -6.5920 -6.5920 -6.1388 -6.1388 -6.1351 -6.1351 -5.7665 -5.7665 -5.7454 -5.7454 -5.1975 -5.1975 -5.1357 -5.1357 -5.1295 -5.1295 -5.0886 -5.0886 -4.3386 -4.3386 -4.3024 -4.3024 -4.3013 -4.3013 -4.2669 -4.2669 3.0637 3.0637 3.1228 3.1228 3.1268 3.1268 3.1572 3.1572 3.1928 3.1928 3.2413 3.2413 5.7681 5.7681 6.3629 6.3629 6.7343 6.7343 6.7445 6.7445 6.8219 6.8219 k = 0.0000 0.0000 0.3223 ( 25596 PWs) bands (ev): -17.8350 -17.8350 -17.8268 -17.8268 -17.0133 -17.0133 -17.0126 -17.0126 -6.6159 -6.6159 -6.5963 -6.5963 -6.1390 -6.1390 -6.1365 -6.1365 -5.7625 -5.7625 -5.7484 -5.7484 -5.1881 -5.1881 -5.1466 -5.1466 -5.1229 -5.1229 -5.0955 -5.0955 -4.3322 -4.3322 -4.3071 -4.3071 -4.2964 -4.2964 -4.2725 -4.2725 3.0738 3.0738 3.1160 3.1160 3.1341 3.1341 3.1658 3.1658 3.1811 3.1811 3.2218 3.2218 5.8631 5.8631 6.2611 6.2611 6.7717 6.7717 6.7861 6.7861 6.8783 6.8783 k = 0.0000 0.0000 0.3424 ( 25584 PWs) bands (ev): -17.8330 -17.8330 -17.8289 -17.8289 -17.0131 -17.0131 -17.0128 -17.0128 -6.6107 -6.6107 -6.6008 -6.6008 -6.1388 -6.1388 -6.1376 -6.1376 -5.7587 -5.7587 -5.7516 -5.7516 -5.1782 -5.1782 -5.1574 -5.1574 -5.1163 -5.1163 -5.1025 -5.1025 -4.3258 -4.3258 -4.3132 -4.3132 -4.2903 -4.2903 -4.2783 -4.2783 3.0841 3.0841 3.1053 3.1053 3.1457 3.1457 3.1692 3.1692 3.1765 3.1765 3.2045 3.2045 5.9603 5.9603 6.1598 6.1598 6.8058 6.8058 6.8259 6.8259 6.8602 6.8602 k = 0.0000 0.0000 0.3626 ( 25620 PWs) bands (ev): -17.8309 -17.8309 -17.8309 -17.8309 -17.0129 -17.0129 -17.0129 -17.0129 -6.6056 -6.6056 -6.6056 -6.6056 -6.1383 -6.1383 -6.1383 -6.1383 -5.7550 -5.7550 -5.7550 -5.7550 -5.1680 -5.1680 -5.1680 -5.1680 -5.1094 -5.1094 -5.1094 -5.1094 -4.3194 -4.3194 -4.3194 -4.3194 -4.2843 -4.2843 -4.2843 -4.2843 3.0946 3.0946 3.0946 3.0946 3.1574 3.1574 3.1574 3.1574 3.1894 3.1894 3.1894 3.1894 6.0594 6.0594 6.0594 6.0594 6.8357 6.8357 6.8357 6.8357 6.8627 6.8627 k = 0.0000 0.0000 0.3626 ( 25620 PWs) bands (ev): -17.8309 -17.8309 -17.8309 -17.8309 -17.0129 -17.0129 -17.0129 -17.0129 -6.6056 -6.6056 -6.6056 -6.6056 -6.1383 -6.1383 -6.1383 -6.1383 -5.7550 -5.7550 -5.7550 -5.7550 -5.1680 -5.1680 -5.1680 -5.1680 -5.1094 -5.1094 -5.1094 -5.1094 -4.3194 -4.3194 -4.3194 -4.3194 -4.2843 -4.2843 -4.2843 -4.2843 3.0946 3.0946 3.0946 3.0946 3.1574 3.1574 3.1574 3.1574 3.1894 3.1894 3.1894 3.1894 6.0594 6.0594 6.0594 6.0594 6.8357 6.8357 6.8357 6.8357 6.8627 6.8627 k = 0.0172 0.0100 0.3626 ( 25612 PWs) bands (ev): -17.8309 -17.8309 -17.8309 -17.8309 -17.0129 -17.0129 -17.0129 -17.0129 -6.6056 -6.6056 -6.6056 -6.6056 -6.1389 -6.1389 -6.1389 -6.1389 -5.7548 -5.7548 -5.7548 -5.7548 -5.1682 -5.1682 -5.1682 -5.1682 -5.1091 -5.1091 -5.1091 -5.1091 -4.3195 -4.3195 -4.3195 -4.3195 -4.2839 -4.2839 -4.2839 -4.2839 3.0933 3.0933 3.0933 3.0933 3.1538 3.1538 3.1538 3.1538 3.1947 3.1947 3.1947 3.1947 6.0610 6.0610 6.0610 6.0610 6.8362 6.8362 6.8362 6.8362 6.8634 6.8634 k = 0.0345 0.0199 0.3626 ( 25616 PWs) bands (ev): -17.8309 -17.8309 -17.8309 -17.8309 -17.0130 -17.0130 -17.0130 -17.0130 -6.6057 -6.6057 -6.6057 -6.6057 -6.1407 -6.1407 -6.1407 -6.1407 -5.7541 -5.7541 -5.7541 -5.7541 -5.1688 -5.1688 -5.1688 -5.1688 -5.1081 -5.1081 -5.1081 -5.1081 -4.3198 -4.3198 -4.3198 -4.3198 -4.2827 -4.2827 -4.2827 -4.2827 3.0893 3.0893 3.0893 3.0893 3.1478 3.1478 3.1478 3.1478 3.2062 3.2062 3.2062 3.2062 6.0659 6.0659 6.0659 6.0659 6.8378 6.8378 6.8378 6.8378 6.8654 6.8654 k = 0.0517 0.0299 0.3626 ( 25624 PWs) bands (ev): -17.8308 -17.8308 -17.8308 -17.8308 -17.0130 -17.0130 -17.0130 -17.0130 -6.6058 -6.6058 -6.6058 -6.6058 -6.1436 -6.1436 -6.1436 -6.1436 -5.7530 -5.7530 -5.7530 -5.7530 -5.1697 -5.1697 -5.1697 -5.1697 -5.1065 -5.1065 -5.1065 -5.1065 -4.3201 -4.3201 -4.3201 -4.3201 -4.2807 -4.2807 -4.2807 -4.2807 3.0823 3.0823 3.0823 3.0823 3.1438 3.1438 3.1438 3.1438 3.2197 3.2197 3.2197 3.2197 6.0741 6.0741 6.0741 6.0741 6.8404 6.8404 6.8404 6.8404 6.8688 6.8688 k = 0.0690 0.0398 0.3626 ( 25626 PWs) bands (ev): -17.8308 -17.8308 -17.8308 -17.8308 -17.0130 -17.0130 -17.0130 -17.0130 -6.6059 -6.6059 -6.6059 -6.6059 -6.1476 -6.1476 -6.1476 -6.1476 -5.7515 -5.7515 -5.7515 -5.7515 -5.1709 -5.1709 -5.1709 -5.1709 -5.1043 -5.1043 -5.1043 -5.1043 -4.3205 -4.3205 -4.3205 -4.3205 -4.2782 -4.2782 -4.2782 -4.2782 3.0726 3.0726 3.0726 3.0726 3.1430 3.1430 3.1430 3.1430 3.2335 3.2335 3.2335 3.2335 6.0854 6.0854 6.0854 6.0854 6.8438 6.8438 6.8438 6.8438 6.8734 6.8734 k = 0.0862 0.0498 0.3626 ( 25638 PWs) bands (ev): -17.8307 -17.8307 -17.8307 -17.8307 -17.0131 -17.0131 -17.0131 -17.0131 -6.6060 -6.6060 -6.6060 -6.6060 -6.1525 -6.1525 -6.1525 -6.1525 -5.7496 -5.7496 -5.7496 -5.7496 -5.1722 -5.1722 -5.1722 -5.1722 -5.1017 -5.1017 -5.1017 -5.1017 -4.3208 -4.3208 -4.3208 -4.3208 -4.2751 -4.2751 -4.2751 -4.2751 3.0613 3.0613 3.0613 3.0613 3.1449 3.1449 3.1449 3.1449 3.2471 3.2471 3.2471 3.2471 6.0998 6.0998 6.0998 6.0998 6.8480 6.8480 6.8480 6.8480 6.8791 6.8791 k = 0.1034 0.0597 0.3626 ( 25656 PWs) bands (ev): -17.8306 -17.8306 -17.8306 -17.8306 -17.0132 -17.0132 -17.0132 -17.0132 -6.6062 -6.6062 -6.6062 -6.6062 -6.1583 -6.1583 -6.1583 -6.1583 -5.7475 -5.7475 -5.7475 -5.7475 -5.1737 -5.1737 -5.1737 -5.1737 -5.0988 -5.0988 -5.0988 -5.0988 -4.3211 -4.3211 -4.3211 -4.3211 -4.2716 -4.2716 -4.2716 -4.2716 3.0494 3.0494 3.0494 3.0494 3.1490 3.1490 3.1490 3.1490 3.2602 3.2602 3.2602 3.2602 6.1172 6.1172 6.1172 6.1172 6.8529 6.8529 6.8529 6.8529 6.8855 6.8855 k = 0.1207 0.0697 0.3626 ( 25654 PWs) bands (ev): -17.8304 -17.8304 -17.8304 -17.8304 -17.0133 -17.0133 -17.0133 -17.0133 -6.6065 -6.6065 -6.6065 -6.6065 -6.1648 -6.1648 -6.1648 -6.1648 -5.7451 -5.7451 -5.7451 -5.7451 -5.1753 -5.1753 -5.1753 -5.1753 -5.0955 -5.0955 -5.0955 -5.0955 -4.3212 -4.3212 -4.3212 -4.3212 -4.2678 -4.2678 -4.2678 -4.2678 3.0375 3.0375 3.0375 3.0375 3.1546 3.1546 3.1546 3.1546 3.2724 3.2724 3.2724 3.2724 6.1375 6.1375 6.1375 6.1375 6.8583 6.8583 6.8583 6.8583 6.8925 6.8925 k = 0.1379 0.0796 0.3626 ( 25646 PWs) bands (ev): -17.8303 -17.8303 -17.8303 -17.8303 -17.0134 -17.0134 -17.0134 -17.0134 -6.6068 -6.6068 -6.6068 -6.6068 -6.1720 -6.1720 -6.1720 -6.1720 -5.7426 -5.7426 -5.7426 -5.7426 -5.1769 -5.1769 -5.1769 -5.1769 -5.0919 -5.0919 -5.0919 -5.0919 -4.3211 -4.3211 -4.3211 -4.3211 -4.2638 -4.2638 -4.2638 -4.2638 3.0262 3.0262 3.0262 3.0262 3.1614 3.1614 3.1614 3.1614 3.2835 3.2835 3.2835 3.2835 6.1607 6.1607 6.1607 6.1607 6.8640 6.8640 6.8640 6.8640 6.8997 6.8997 k = 0.1552 0.0896 0.3626 ( 25628 PWs) bands (ev): -17.8301 -17.8301 -17.8301 -17.8301 -17.0135 -17.0135 -17.0135 -17.0135 -6.6071 -6.6071 -6.6071 -6.6071 -6.1796 -6.1796 -6.1796 -6.1796 -5.7400 -5.7400 -5.7400 -5.7400 -5.1784 -5.1784 -5.1784 -5.1784 -5.0882 -5.0882 -5.0882 -5.0882 -4.3208 -4.3208 -4.3208 -4.3208 -4.2596 -4.2596 -4.2596 -4.2596 3.0156 3.0156 3.0156 3.0156 3.1693 3.1693 3.1693 3.1693 3.2935 3.2935 3.2935 3.2935 6.1867 6.1867 6.1867 6.1867 6.8698 6.8698 6.8698 6.8698 6.9069 6.9069 k = 0.1724 0.0995 0.3626 ( 25634 PWs) bands (ev): -17.8300 -17.8300 -17.8300 -17.8300 -17.0136 -17.0136 -17.0136 -17.0136 -6.6075 -6.6075 -6.6075 -6.6075 -6.1877 -6.1877 -6.1877 -6.1877 -5.7374 -5.7374 -5.7374 -5.7374 -5.1799 -5.1799 -5.1799 -5.1799 -5.0844 -5.0844 -5.0844 -5.0844 -4.3203 -4.3203 -4.3203 -4.3203 -4.2553 -4.2553 -4.2553 -4.2553 3.0061 3.0061 3.0061 3.0061 3.1780 3.1780 3.1780 3.1780 3.3022 3.3022 3.3022 3.3022 6.2154 6.2154 6.2154 6.2154 6.8755 6.8755 6.8755 6.8755 6.9140 6.9140 k = 0.1897 0.1095 0.3626 ( 25634 PWs) bands (ev): -17.8298 -17.8298 -17.8298 -17.8298 -17.0138 -17.0138 -17.0138 -17.0138 -6.6080 -6.6080 -6.6080 -6.6080 -6.1959 -6.1959 -6.1959 -6.1959 -5.7348 -5.7348 -5.7348 -5.7348 -5.1813 -5.1813 -5.1813 -5.1813 -5.0805 -5.0805 -5.0805 -5.0805 -4.3196 -4.3196 -4.3196 -4.3196 -4.2511 -4.2511 -4.2511 -4.2511 2.9978 2.9978 2.9978 2.9978 3.1874 3.1874 3.1874 3.1874 3.3096 3.3096 3.3096 3.3096 6.2468 6.2468 6.2468 6.2468 6.8806 6.8806 6.8806 6.8806 6.9210 6.9210 k = 0.2069 0.1195 0.3626 ( 25630 PWs) bands (ev): -17.8296 -17.8296 -17.8296 -17.8296 -17.0139 -17.0139 -17.0139 -17.0139 -6.6086 -6.6086 -6.6086 -6.6086 -6.2043 -6.2043 -6.2043 -6.2043 -5.7323 -5.7323 -5.7323 -5.7323 -5.1826 -5.1826 -5.1826 -5.1826 -5.0765 -5.0765 -5.0765 -5.0765 -4.3186 -4.3186 -4.3186 -4.3186 -4.2469 -4.2469 -4.2469 -4.2469 2.9907 2.9907 2.9907 2.9907 3.1974 3.1974 3.1974 3.1974 3.3156 3.3156 3.3156 3.3156 6.2808 6.2808 6.2808 6.2808 6.8845 6.8845 6.8845 6.8845 6.9281 6.9281 k = 0.2241 0.1294 0.3626 ( 25642 PWs) bands (ev): -17.8295 -17.8295 -17.8295 -17.8295 -17.0140 -17.0140 -17.0140 -17.0140 -6.6092 -6.6092 -6.6092 -6.6092 -6.2127 -6.2127 -6.2127 -6.2127 -5.7298 -5.7298 -5.7298 -5.7298 -5.1838 -5.1838 -5.1838 -5.1838 -5.0725 -5.0725 -5.0725 -5.0725 -4.3174 -4.3174 -4.3174 -4.3174 -4.2429 -4.2429 -4.2429 -4.2429 2.9849 2.9849 2.9849 2.9849 3.2077 3.2077 3.2077 3.2077 3.3204 3.3204 3.3204 3.3204 6.3174 6.3174 6.3174 6.3174 6.8866 6.8866 6.8866 6.8866 6.9355 6.9355 k = 0.2414 0.1394 0.3626 ( 25660 PWs) bands (ev): -17.8293 -17.8293 -17.8293 -17.8293 -17.0142 -17.0142 -17.0142 -17.0142 -6.6099 -6.6099 -6.6099 -6.6099 -6.2210 -6.2210 -6.2210 -6.2210 -5.7275 -5.7275 -5.7275 -5.7275 -5.1849 -5.1849 -5.1849 -5.1849 -5.0686 -5.0686 -5.0686 -5.0686 -4.3160 -4.3160 -4.3160 -4.3160 -4.2391 -4.2391 -4.2391 -4.2391 2.9804 2.9804 2.9804 2.9804 3.2183 3.2183 3.2183 3.2183 3.3238 3.3238 3.3238 3.3238 6.3565 6.3565 6.3565 6.3565 6.8864 6.8864 6.8864 6.8864 6.9435 6.9435 k = 0.2586 0.1493 0.3626 ( 25650 PWs) bands (ev): -17.8291 -17.8291 -17.8291 -17.8291 -17.0143 -17.0143 -17.0143 -17.0143 -6.6106 -6.6106 -6.6106 -6.6106 -6.2291 -6.2291 -6.2291 -6.2291 -5.7254 -5.7254 -5.7254 -5.7254 -5.1859 -5.1859 -5.1859 -5.1859 -5.0648 -5.0648 -5.0648 -5.0648 -4.3144 -4.3144 -4.3144 -4.3144 -4.2356 -4.2356 -4.2356 -4.2356 2.9772 2.9772 2.9772 2.9772 3.2290 3.2290 3.2290 3.2290 3.3260 3.3260 3.3260 3.3260 6.3980 6.3980 6.3980 6.3980 6.8836 6.8836 6.8836 6.8836 6.9520 6.9520 k = 0.2759 0.1593 0.3626 ( 25654 PWs) bands (ev): -17.8289 -17.8289 -17.8289 -17.8289 -17.0145 -17.0145 -17.0145 -17.0145 -6.6114 -6.6114 -6.6114 -6.6114 -6.2369 -6.2369 -6.2369 -6.2369 -5.7234 -5.7234 -5.7234 -5.7234 -5.1868 -5.1868 -5.1868 -5.1868 -5.0610 -5.0610 -5.0610 -5.0610 -4.3125 -4.3125 -4.3125 -4.3125 -4.2324 -4.2324 -4.2324 -4.2324 2.9752 2.9752 2.9752 2.9752 3.2396 3.2396 3.2396 3.2396 3.3272 3.3272 3.3272 3.3272 6.4419 6.4419 6.4419 6.4419 6.8780 6.8780 6.8780 6.8780 6.9611 6.9611 k = 0.2931 0.1692 0.3626 ( 25676 PWs) bands (ev): -17.8287 -17.8287 -17.8287 -17.8287 -17.0146 -17.0146 -17.0146 -17.0146 -6.6123 -6.6123 -6.6123 -6.6123 -6.2444 -6.2444 -6.2444 -6.2444 -5.7216 -5.7216 -5.7216 -5.7216 -5.1876 -5.1876 -5.1876 -5.1876 -5.0574 -5.0574 -5.0574 -5.0574 -4.3105 -4.3105 -4.3105 -4.3105 -4.2295 -4.2295 -4.2295 -4.2295 2.9744 2.9744 2.9744 2.9744 3.2499 3.2499 3.2499 3.2499 3.3275 3.3275 3.3275 3.3275 6.4879 6.4879 6.4879 6.4879 6.8697 6.8697 6.8697 6.8697 6.9705 6.9705 k = 0.3103 0.1792 0.3626 ( 25670 PWs) bands (ev): -17.8285 -17.8285 -17.8285 -17.8285 -17.0148 -17.0148 -17.0148 -17.0148 -6.6132 -6.6132 -6.6132 -6.6132 -6.2514 -6.2514 -6.2514 -6.2514 -5.7199 -5.7199 -5.7199 -5.7199 -5.1883 -5.1883 -5.1883 -5.1883 -5.0539 -5.0539 -5.0539 -5.0539 -4.3083 -4.3083 -4.3083 -4.3083 -4.2269 -4.2269 -4.2269 -4.2269 2.9747 2.9747 2.9747 2.9747 3.2596 3.2596 3.2596 3.2596 3.3272 3.3272 3.3272 3.3272 6.5358 6.5358 6.5358 6.5358 6.8591 6.8591 6.8591 6.8591 6.9800 6.9800 k = 0.3276 0.1891 0.3626 ( 25672 PWs) bands (ev): -17.8284 -17.8284 -17.8284 -17.8284 -17.0149 -17.0149 -17.0149 -17.0149 -6.6141 -6.6141 -6.6141 -6.6141 -6.2579 -6.2579 -6.2579 -6.2579 -5.7184 -5.7184 -5.7184 -5.7184 -5.1888 -5.1888 -5.1888 -5.1888 -5.0506 -5.0506 -5.0506 -5.0506 -4.3060 -4.3060 -4.3060 -4.3060 -4.2248 -4.2248 -4.2248 -4.2248 2.9758 2.9758 2.9758 2.9758 3.2685 3.2685 3.2685 3.2685 3.3265 3.3265 3.3265 3.3265 6.5851 6.5851 6.5851 6.5851 6.8466 6.8466 6.8466 6.8466 6.9895 6.9895 k = 0.3448 0.1991 0.3626 ( 25678 PWs) bands (ev): -17.8282 -17.8282 -17.8282 -17.8282 -17.0150 -17.0150 -17.0150 -17.0150 -6.6150 -6.6150 -6.6150 -6.6150 -6.2639 -6.2639 -6.2639 -6.2639 -5.7171 -5.7171 -5.7171 -5.7171 -5.1894 -5.1894 -5.1894 -5.1894 -5.0476 -5.0476 -5.0476 -5.0476 -4.3036 -4.3036 -4.3036 -4.3036 -4.2230 -4.2230 -4.2230 -4.2230 2.9778 2.9778 2.9778 2.9778 3.2762 3.2762 3.2762 3.2762 3.3259 3.3259 3.3259 3.3259 6.6351 6.6351 6.6351 6.6351 6.8332 6.8332 6.8332 6.8332 6.9987 6.9987 k = 0.3621 0.2090 0.3626 ( 25682 PWs) bands (ev): -17.8280 -17.8280 -17.8280 -17.8280 -17.0151 -17.0151 -17.0151 -17.0151 -6.6159 -6.6159 -6.6159 -6.6159 -6.2694 -6.2694 -6.2694 -6.2694 -5.7160 -5.7160 -5.7160 -5.7160 -5.1898 -5.1898 -5.1898 -5.1898 -5.0448 -5.0448 -5.0448 -5.0448 -4.3012 -4.3012 -4.3012 -4.3012 -4.2216 -4.2216 -4.2216 -4.2216 2.9803 2.9803 2.9803 2.9803 3.2823 3.2823 3.2823 3.2823 3.3259 3.3259 3.3259 3.3259 6.6843 6.6843 6.6843 6.6843 6.8208 6.8208 6.8208 6.8208 7.0074 7.0074 k = 0.3793 0.2190 0.3626 ( 25676 PWs) bands (ev): -17.8279 -17.8279 -17.8279 -17.8279 -17.0152 -17.0152 -17.0152 -17.0152 -6.6168 -6.6168 -6.6168 -6.6168 -6.2742 -6.2742 -6.2742 -6.2742 -5.7150 -5.7150 -5.7150 -5.7150 -5.1902 -5.1902 -5.1902 -5.1902 -5.0422 -5.0422 -5.0422 -5.0422 -4.2988 -4.2988 -4.2988 -4.2988 -4.2205 -4.2205 -4.2205 -4.2205 2.9833 2.9833 2.9833 2.9833 3.2862 3.2862 3.2862 3.2862 3.3270 3.3270 3.3270 3.3270 6.7272 6.7272 6.7272 6.7272 6.8149 6.8149 6.8149 6.8149 7.0156 7.0156 k = 0.3966 0.2289 0.3626 ( 25684 PWs) bands (ev): -17.8278 -17.8278 -17.8278 -17.8278 -17.0153 -17.0153 -17.0153 -17.0153 -6.6176 -6.6176 -6.6176 -6.6176 -6.2784 -6.2784 -6.2784 -6.2784 -5.7142 -5.7142 -5.7142 -5.7142 -5.1905 -5.1905 -5.1905 -5.1905 -5.0400 -5.0400 -5.0400 -5.0400 -4.2965 -4.2965 -4.2965 -4.2965 -4.2197 -4.2197 -4.2197 -4.2197 2.9864 2.9864 2.9864 2.9864 3.2880 3.2880 3.2880 3.2880 3.3293 3.3293 3.3293 3.3293 6.7489 6.7489 6.7489 6.7489 6.8307 6.8307 6.8307 6.8307 7.0230 7.0230 k = 0.4138 0.2389 0.3626 ( 25686 PWs) bands (ev): -17.8277 -17.8277 -17.8277 -17.8277 -17.0154 -17.0154 -17.0154 -17.0154 -6.6183 -6.6183 -6.6183 -6.6183 -6.2820 -6.2820 -6.2820 -6.2820 -5.7136 -5.7136 -5.7136 -5.7136 -5.1907 -5.1907 -5.1907 -5.1907 -5.0380 -5.0380 -5.0380 -5.0380 -4.2944 -4.2944 -4.2944 -4.2944 -4.2192 -4.2192 -4.2192 -4.2192 2.9896 2.9896 2.9896 2.9896 3.2881 3.2881 3.2881 3.2881 3.3323 3.3323 3.3323 3.3323 6.7471 6.7471 6.7471 6.7471 6.8704 6.8704 6.8704 6.8704 7.0296 7.0296 k = 0.4310 0.2489 0.3626 ( 25698 PWs) bands (ev): -17.8276 -17.8276 -17.8276 -17.8276 -17.0155 -17.0155 -17.0155 -17.0155 -6.6190 -6.6190 -6.6190 -6.6190 -6.2850 -6.2850 -6.2850 -6.2850 -5.7130 -5.7130 -5.7130 -5.7130 -5.1909 -5.1909 -5.1909 -5.1909 -5.0364 -5.0364 -5.0364 -5.0364 -4.2926 -4.2926 -4.2926 -4.2926 -4.2189 -4.2189 -4.2189 -4.2189 2.9925 2.9925 2.9925 2.9925 3.2872 3.2872 3.2872 3.2872 3.3356 3.3356 3.3356 3.3356 6.7383 6.7383 6.7383 6.7383 6.9169 6.9169 6.9169 6.9169 7.0352 7.0352 k = 0.4483 0.2588 0.3626 ( 25700 PWs) bands (ev): -17.8275 -17.8275 -17.8275 -17.8275 -17.0155 -17.0155 -17.0155 -17.0155 -6.6195 -6.6195 -6.6195 -6.6195 -6.2873 -6.2873 -6.2873 -6.2873 -5.7126 -5.7126 -5.7126 -5.7126 -5.1911 -5.1911 -5.1911 -5.1911 -5.0351 -5.0351 -5.0351 -5.0351 -4.2910 -4.2910 -4.2910 -4.2910 -4.2187 -4.2187 -4.2187 -4.2187 2.9950 2.9950 2.9950 2.9950 3.2860 3.2860 3.2860 3.2860 3.3386 3.3386 3.3386 3.3386 6.7293 6.7293 6.7293 6.7293 6.9623 6.9623 6.9623 6.9623 7.0399 7.0399 k = 0.4655 0.2688 0.3626 ( 25690 PWs) bands (ev): -17.8275 -17.8275 -17.8275 -17.8275 -17.0156 -17.0156 -17.0156 -17.0156 -6.6199 -6.6199 -6.6199 -6.6199 -6.2889 -6.2889 -6.2889 -6.2889 -5.7123 -5.7123 -5.7123 -5.7123 -5.1912 -5.1912 -5.1912 -5.1912 -5.0342 -5.0342 -5.0342 -5.0342 -4.2899 -4.2899 -4.2899 -4.2899 -4.2186 -4.2186 -4.2186 -4.2186 2.9969 2.9969 2.9969 2.9969 3.2848 3.2848 3.2848 3.2848 3.3410 3.3410 3.3410 3.3410 6.7221 6.7221 6.7221 6.7221 7.0020 7.0020 7.0020 7.0020 7.0439 7.0439 k = 0.4828 0.2787 0.3626 ( 25712 PWs) bands (ev): -17.8274 -17.8274 -17.8274 -17.8274 -17.0156 -17.0156 -17.0156 -17.0156 -6.6201 -6.6201 -6.6201 -6.6201 -6.2899 -6.2899 -6.2899 -6.2899 -5.7121 -5.7121 -5.7121 -5.7121 -5.1912 -5.1912 -5.1912 -5.1912 -5.0337 -5.0337 -5.0337 -5.0337 -4.2892 -4.2892 -4.2892 -4.2892 -4.2186 -4.2186 -4.2186 -4.2186 2.9982 2.9982 2.9982 2.9982 3.2840 3.2840 3.2840 3.2840 3.3425 3.3425 3.3425 3.3425 6.7175 6.7175 6.7175 6.7175 7.0290 7.0290 7.0290 7.0290 7.0490 7.0490 k = 0.5000 0.2887 0.3626 ( 25712 PWs) bands (ev): -17.8274 -17.8274 -17.8274 -17.8274 -17.0156 -17.0156 -17.0156 -17.0156 -6.6202 -6.6202 -6.6202 -6.6202 -6.2903 -6.2903 -6.2903 -6.2903 -5.7121 -5.7121 -5.7121 -5.7121 -5.1912 -5.1912 -5.1912 -5.1912 -5.0335 -5.0335 -5.0335 -5.0335 -4.2889 -4.2889 -4.2889 -4.2889 -4.2186 -4.2186 -4.2186 -4.2186 2.9986 2.9986 2.9986 2.9986 3.2837 3.2837 3.2837 3.2837 3.3430 3.3430 3.3430 3.3430 6.7160 6.7160 6.7160 6.7160 7.0364 7.0364 7.0364 7.0364 7.0538 7.0538 k = 0.5000 0.2887 0.3626 ( 25712 PWs) bands (ev): -17.8274 -17.8274 -17.8274 -17.8274 -17.0156 -17.0156 -17.0156 -17.0156 -6.6202 -6.6202 -6.6202 -6.6202 -6.2903 -6.2903 -6.2903 -6.2903 -5.7121 -5.7121 -5.7121 -5.7121 -5.1912 -5.1912 -5.1912 -5.1912 -5.0335 -5.0335 -5.0335 -5.0335 -4.2889 -4.2889 -4.2889 -4.2889 -4.2186 -4.2186 -4.2186 -4.2186 2.9986 2.9986 2.9986 2.9986 3.2837 3.2837 3.2837 3.2837 3.3430 3.3430 3.3430 3.3430 6.7160 6.7160 6.7160 6.7160 7.0364 7.0364 7.0364 7.0364 7.0538 7.0538 k = 0.4902 0.3057 0.3626 ( 25720 PWs) bands (ev): -17.8274 -17.8274 -17.8274 -17.8274 -17.0156 -17.0156 -17.0156 -17.0156 -6.6234 -6.6234 -6.6169 -6.6169 -6.2995 -6.2995 -6.2810 -6.2810 -5.7228 -5.7228 -5.7016 -5.7016 -5.1956 -5.1956 -5.1863 -5.1863 -5.0346 -5.0346 -5.0326 -5.0326 -4.2921 -4.2921 -4.2862 -4.2862 -4.2226 -4.2226 -4.2141 -4.2141 2.9989 2.9989 2.9993 2.9993 3.2807 3.2807 3.2845 3.2845 3.3428 3.3428 3.3450 3.3450 6.7151 6.7151 6.7154 6.7154 7.0326 7.0326 7.0413 7.0413 7.0513 7.0513 k = 0.4804 0.3226 0.3626 ( 25700 PWs) bands (ev): -17.8274 -17.8274 -17.8274 -17.8274 -17.0156 -17.0156 -17.0156 -17.0156 -6.6267 -6.6267 -6.6138 -6.6138 -6.3086 -6.3086 -6.2718 -6.2718 -5.7337 -5.7337 -5.6914 -5.6914 -5.1994 -5.1994 -5.1809 -5.1809 -5.0361 -5.0361 -5.0320 -5.0320 -4.2958 -4.2958 -4.2842 -4.2842 -4.2258 -4.2258 -4.2092 -4.2092 3.0002 3.0002 3.0009 3.0009 3.2761 3.2761 3.2828 3.2828 3.3445 3.3445 3.3483 3.3483 6.7128 6.7128 6.7134 6.7134 7.0292 7.0292 7.0426 7.0426 7.0548 7.0548 k = 0.4706 0.3396 0.3626 ( 25690 PWs) bands (ev): -17.8274 -17.8274 -17.8274 -17.8274 -17.0156 -17.0156 -17.0156 -17.0156 -6.6300 -6.6300 -6.6107 -6.6107 -6.3176 -6.3176 -6.2626 -6.2626 -5.7446 -5.7446 -5.6816 -5.6816 -5.2027 -5.2027 -5.1751 -5.1751 -5.0378 -5.0378 -5.0316 -5.0316 -4.2997 -4.2997 -4.2830 -4.2830 -4.2282 -4.2282 -4.2041 -4.2041 3.0024 3.0024 3.0036 3.0036 3.2705 3.2705 3.2792 3.2792 3.3478 3.3478 3.3522 3.3522 6.7092 6.7092 6.7101 6.7101 7.0252 7.0252 7.0382 7.0382 7.0659 7.0660 k = 0.4608 0.3566 0.3626 ( 25694 PWs) bands (ev): -17.8274 -17.8274 -17.8274 -17.8274 -17.0156 -17.0156 -17.0156 -17.0156 -6.6332 -6.6332 -6.6077 -6.6077 -6.3264 -6.3264 -6.2537 -6.2537 -5.7554 -5.7554 -5.6723 -5.6723 -5.2054 -5.2054 -5.1688 -5.1688 -5.0398 -5.0398 -5.0315 -5.0315 -4.3037 -4.3037 -4.2827 -4.2827 -4.2297 -4.2297 -4.1988 -4.1988 3.0055 3.0055 3.0071 3.0071 3.2645 3.2645 3.2743 3.2743 3.3519 3.3519 3.3562 3.3562 6.7043 6.7043 6.7056 6.7056 7.0201 7.0201 7.0320 7.0320 7.0805 7.0806 k = 0.4510 0.3736 0.3626 ( 25668 PWs) bands (ev): -17.8274 -17.8274 -17.8273 -17.8273 -17.0157 -17.0157 -17.0157 -17.0157 -6.6363 -6.6363 -6.6048 -6.6048 -6.3348 -6.3348 -6.2450 -6.2450 -5.7660 -5.7660 -5.6636 -5.6636 -5.2076 -5.2076 -5.1623 -5.1623 -5.0421 -5.0421 -5.0316 -5.0316 -4.3078 -4.3078 -4.2832 -4.2832 -4.2303 -4.2303 -4.1936 -4.1936 3.0092 3.0092 3.0114 3.0114 3.2586 3.2586 3.2688 3.2688 3.3563 3.3563 3.3599 3.3599 6.6983 6.6983 6.7001 6.7001 7.0143 7.0143 7.0251 7.0251 7.0975 7.0976 k = 0.4412 0.3906 0.3626 ( 25656 PWs) bands (ev): -17.8273 -17.8273 -17.8273 -17.8273 -17.0157 -17.0157 -17.0157 -17.0157 -6.6394 -6.6394 -6.6021 -6.6021 -6.3429 -6.3429 -6.2367 -6.2367 -5.7763 -5.7763 -5.6555 -5.6555 -5.2093 -5.2093 -5.1554 -5.1554 -5.0446 -5.0446 -5.0318 -5.0318 -4.3118 -4.3118 -4.2844 -4.2844 -4.2301 -4.2301 -4.1885 -4.1885 3.0135 3.0135 3.0164 3.0164 3.2531 3.2531 3.2632 3.2632 3.3605 3.3605 3.3630 3.3630 6.6912 6.6912 6.6935 6.6935 7.0085 7.0085 7.0183 7.0183 7.1156 7.1157 k = 0.4314 0.4075 0.3626 ( 25656 PWs) bands (ev): -17.8273 -17.8273 -17.8273 -17.8273 -17.0157 -17.0157 -17.0157 -17.0157 -6.6423 -6.6423 -6.5996 -6.5996 -6.3506 -6.3506 -6.2287 -6.2287 -5.7862 -5.7862 -5.6480 -5.6480 -5.2105 -5.2105 -5.1484 -5.1484 -5.0473 -5.0473 -5.0321 -5.0321 -4.3158 -4.3158 -4.2861 -4.2861 -4.2293 -4.2293 -4.1836 -4.1836 3.0182 3.0182 3.0219 3.0219 3.2483 3.2483 3.2577 3.2577 3.3643 3.3643 3.3654 3.3654 6.6832 6.6832 6.6860 6.6860 7.0035 7.0035 7.0124 7.0124 7.1331 7.1337 k = 0.4216 0.4245 0.3626 ( 25650 PWs) bands (ev): -17.8272 -17.8272 -17.8272 -17.8272 -17.0157 -17.0157 -17.0157 -17.0157 -6.6450 -6.6450 -6.5972 -6.5972 -6.3578 -6.3578 -6.2213 -6.2213 -5.7956 -5.7956 -5.6412 -5.6412 -5.2113 -5.2113 -5.1414 -5.1414 -5.0503 -5.0503 -5.0325 -5.0325 -4.3195 -4.3195 -4.2880 -4.2880 -4.2282 -4.2282 -4.1789 -4.1789 3.0229 3.0229 3.0276 3.0276 3.2444 3.2444 3.2527 3.2527 3.3670 3.3670 3.3675 3.3675 6.6743 6.6743 6.6776 6.6776 7.0002 7.0002 7.0082 7.0082 7.1506 7.1516 k = 0.4118 0.4415 0.3626 ( 25648 PWs) bands (ev): -17.8272 -17.8272 -17.8272 -17.8272 -17.0158 -17.0158 -17.0158 -17.0158 -6.6475 -6.6475 -6.5951 -6.5951 -6.3644 -6.3644 -6.2144 -6.2144 -5.8043 -5.8043 -5.6351 -5.6351 -5.2118 -5.2118 -5.1343 -5.1343 -5.0535 -5.0535 -5.0330 -5.0330 -4.3230 -4.3230 -4.2900 -4.2900 -4.2269 -4.2269 -4.1746 -4.1746 3.0277 3.0277 3.0334 3.0334 3.2415 3.2415 3.2483 3.2483 3.3678 3.3678 3.3701 3.3701 6.6646 6.6646 6.6684 6.6684 6.9992 6.9992 7.0065 7.0065 7.1669 7.1673 k = 0.4020 0.4585 0.3626 ( 25648 PWs) bands (ev): -17.8272 -17.8272 -17.8272 -17.8272 -17.0158 -17.0158 -17.0158 -17.0158 -6.6499 -6.6499 -6.5931 -6.5931 -6.3705 -6.3705 -6.2082 -6.2082 -5.8123 -5.8123 -5.6298 -5.6298 -5.2120 -5.2120 -5.1273 -5.1273 -5.0568 -5.0568 -5.0336 -5.0336 -4.3263 -4.3263 -4.2918 -4.2918 -4.2256 -4.2256 -4.1706 -4.1706 3.0322 3.0322 3.0391 3.0391 3.2398 3.2398 3.2446 3.2446 3.3678 3.3678 3.3719 3.3719 6.6545 6.6545 6.6586 6.6586 7.0009 7.0009 7.0077 7.0077 7.1815 7.1819 k = 0.3922 0.4755 0.3626 ( 25662 PWs) bands (ev): -17.8271 -17.8271 -17.8271 -17.8271 -17.0158 -17.0158 -17.0158 -17.0158 -6.6519 -6.6519 -6.5915 -6.5915 -6.3758 -6.3758 -6.2027 -6.2027 -5.8194 -5.8194 -5.6252 -5.6252 -5.2120 -5.2120 -5.1206 -5.1206 -5.0602 -5.0602 -5.0341 -5.0341 -4.3291 -4.3291 -4.2935 -4.2935 -4.2243 -4.2243 -4.1671 -4.1671 3.0362 3.0362 3.0444 3.0444 3.2392 3.2392 3.2418 3.2418 3.3670 3.3670 3.3731 3.3731 6.6443 6.6443 6.6487 6.6487 7.0053 7.0053 7.0120 7.0120 7.1936 7.1938 k = 0.3824 0.4924 0.3626 ( 25664 PWs) bands (ev): -17.8271 -17.8271 -17.8271 -17.8271 -17.0159 -17.0159 -17.0159 -17.0159 -6.6537 -6.6537 -6.5900 -6.5900 -6.3805 -6.3805 -6.1980 -6.1980 -5.8255 -5.8255 -5.6214 -5.6214 -5.2118 -5.2118 -5.1142 -5.1142 -5.0636 -5.0636 -5.0345 -5.0345 -4.3316 -4.3316 -4.2949 -4.2949 -4.2232 -4.2232 -4.1641 -4.1641 3.0398 3.0398 3.0492 3.0492 3.2396 3.2396 3.2399 3.2399 3.3657 3.3657 3.3737 3.3737 6.6344 6.6344 6.6390 6.6390 7.0125 7.0125 7.0193 7.0193 7.2026 7.2026 k = 0.3725 0.5094 0.3626 ( 25658 PWs) bands (ev): -17.8271 -17.8271 -17.8271 -17.8271 -17.0159 -17.0159 -17.0159 -17.0159 -6.6552 -6.6552 -6.5889 -6.5889 -6.3844 -6.3844 -6.1942 -6.1942 -5.8306 -5.8306 -5.6183 -5.6183 -5.2116 -5.2116 -5.1082 -5.1082 -5.0671 -5.0671 -5.0349 -5.0349 -4.3337 -4.3337 -4.2961 -4.2961 -4.2223 -4.2223 -4.1615 -4.1615 3.0427 3.0427 3.0533 3.0533 3.2387 3.2387 3.2407 3.2407 3.3639 3.3639 3.3738 3.3738 6.6254 6.6254 6.6301 6.6301 7.0219 7.0219 7.0291 7.0291 7.2087 7.2087 k = 0.3627 0.5264 0.3626 ( 25656 PWs) bands (ev): -17.8270 -17.8270 -17.8270 -17.8270 -17.0159 -17.0159 -17.0159 -17.0159 -6.6564 -6.6564 -6.5880 -6.5880 -6.3874 -6.3874 -6.1912 -6.1912 -5.8346 -5.8346 -5.6159 -5.6159 -5.2114 -5.2114 -5.1029 -5.1029 -5.0704 -5.0704 -5.0352 -5.0352 -4.3353 -4.3353 -4.2969 -4.2969 -4.2216 -4.2216 -4.1595 -4.1595 3.0449 3.0449 3.0565 3.0565 3.2381 3.2381 3.2423 3.2423 3.3620 3.3620 3.3737 3.3737 6.6177 6.6177 6.6225 6.6225 7.0327 7.0327 7.0406 7.0406 7.2116 7.2116 k = 0.3529 0.5434 0.3626 ( 25668 PWs) bands (ev): -17.8270 -17.8270 -17.8270 -17.8270 -17.0159 -17.0159 -17.0159 -17.0159 -6.6573 -6.6573 -6.5873 -6.5873 -6.3896 -6.3896 -6.1891 -6.1891 -5.8374 -5.8374 -5.6143 -5.6143 -5.2112 -5.2112 -5.0985 -5.0985 -5.0734 -5.0734 -5.0354 -5.0354 -4.3365 -4.3365 -4.2974 -4.2974 -4.2211 -4.2211 -4.1580 -4.1580 3.0465 3.0465 3.0589 3.0589 3.2379 3.2379 3.2439 3.2439 3.3603 3.3603 3.3734 3.3734 6.6118 6.6118 6.6166 6.6166 7.0435 7.0435 7.0524 7.0524 7.2109 7.2109 k = 0.3431 0.5604 0.3626 ( 25676 PWs) bands (ev): -17.8270 -17.8270 -17.8270 -17.8270 -17.0159 -17.0159 -17.0159 -17.0159 -6.6578 -6.6578 -6.5869 -6.5869 -6.3910 -6.3910 -6.1879 -6.1879 -5.8391 -5.8391 -5.6133 -5.6133 -5.2110 -5.2110 -5.0954 -5.0954 -5.0755 -5.0755 -5.0356 -5.0356 -4.3372 -4.3372 -4.2977 -4.2977 -4.2208 -4.2208 -4.1572 -4.1572 3.0475 3.0475 3.0604 3.0604 3.2380 3.2380 3.2452 3.2452 3.3591 3.3591 3.3731 3.3731 6.6080 6.6080 6.6128 6.6128 7.0523 7.0523 7.0623 7.0623 7.2079 7.2079 k = 0.3333 0.5774 0.3626 ( 25674 PWs) bands (ev): -17.8270 -17.8270 -17.8270 -17.8270 -17.0159 -17.0159 -17.0159 -17.0159 -6.6580 -6.6580 -6.5868 -6.5868 -6.3914 -6.3914 -6.1875 -6.1875 -5.8396 -5.8396 -5.6130 -5.6130 -5.2110 -5.2110 -5.0943 -5.0943 -5.0763 -5.0763 -5.0356 -5.0356 -4.3374 -4.3374 -4.2978 -4.2978 -4.2207 -4.2207 -4.1569 -4.1569 3.0478 3.0478 3.0608 3.0608 3.2380 3.2380 3.2456 3.2456 3.3586 3.3586 3.3730 3.3730 6.6067 6.6067 6.6115 6.6115 7.0560 7.0560 7.0666 7.0666 7.2059 7.2059 k = 0.3333 0.5774 0.3626 ( 25674 PWs) bands (ev): -17.8270 -17.8270 -17.8270 -17.8270 -17.0159 -17.0159 -17.0159 -17.0159 -6.6580 -6.6580 -6.5868 -6.5868 -6.3914 -6.3914 -6.1875 -6.1875 -5.8396 -5.8396 -5.6130 -5.6130 -5.2110 -5.2110 -5.0943 -5.0943 -5.0763 -5.0763 -5.0356 -5.0356 -4.3374 -4.3374 -4.2978 -4.2978 -4.2207 -4.2207 -4.1569 -4.1569 3.0478 3.0478 3.0608 3.0608 3.2380 3.2380 3.2456 3.2456 3.3586 3.3586 3.3730 3.3730 6.6067 6.6067 6.6115 6.6115 7.0560 7.0560 7.0666 7.0666 7.2059 7.2059 k = 0.3232 0.5599 0.3626 ( 25670 PWs) bands (ev): -17.8270 -17.8270 -17.8270 -17.8270 -17.0159 -17.0159 -17.0159 -17.0159 -6.6578 -6.6578 -6.5869 -6.5869 -6.3910 -6.3910 -6.1879 -6.1879 -5.8391 -5.8391 -5.6133 -5.6133 -5.2110 -5.2110 -5.0954 -5.0954 -5.0756 -5.0756 -5.0356 -5.0356 -4.3372 -4.3372 -4.2977 -4.2977 -4.2208 -4.2208 -4.1572 -4.1572 3.0474 3.0474 3.0603 3.0603 3.2379 3.2379 3.2451 3.2451 3.3591 3.3591 3.3731 3.3731 6.6081 6.6081 6.6129 6.6129 7.0510 7.0510 7.0608 7.0608 7.2094 7.2094 k = 0.3131 0.5424 0.3626 ( 25658 PWs) bands (ev): -17.8270 -17.8270 -17.8270 -17.8270 -17.0159 -17.0159 -17.0159 -17.0159 -6.6573 -6.6573 -6.5873 -6.5873 -6.3895 -6.3895 -6.1890 -6.1890 -5.8374 -5.8374 -5.6143 -5.6143 -5.2112 -5.2112 -5.0979 -5.0979 -5.0740 -5.0740 -5.0355 -5.0355 -4.3365 -4.3365 -4.2976 -4.2976 -4.2210 -4.2210 -4.1581 -4.1581 3.0464 3.0464 3.0588 3.0588 3.2377 3.2377 3.2435 3.2435 3.3606 3.3606 3.3735 3.3735 6.6127 6.6127 6.6175 6.6175 7.0353 7.0353 7.0434 7.0434 7.2205 7.2205 k = 0.3030 0.5249 0.3626 ( 25670 PWs) bands (ev): -17.8270 -17.8270 -17.8270 -17.8270 -17.0159 -17.0159 -17.0159 -17.0159 -6.6563 -6.6563 -6.5879 -6.5879 -6.3871 -6.3871 -6.1906 -6.1906 -5.8348 -5.8348 -5.6159 -5.6159 -5.2115 -5.2115 -5.1012 -5.1012 -5.0723 -5.0723 -5.0353 -5.0353 -4.3354 -4.3354 -4.2975 -4.2975 -4.2213 -4.2213 -4.1596 -4.1596 3.0446 3.0446 3.0562 3.0562 3.2374 3.2374 3.2411 3.2411 3.3627 3.3627 3.3740 3.3740 6.6203 6.6203 6.6251 6.6251 7.0101 7.0101 7.0163 7.0163 7.2371 7.2371 k = 0.2929 0.5074 0.3626 ( 25652 PWs) bands (ev): -17.8271 -17.8271 -17.8271 -17.8271 -17.0159 -17.0159 -17.0159 -17.0159 -6.6550 -6.6550 -6.5886 -6.5886 -6.3837 -6.3837 -6.1927 -6.1927 -5.8314 -5.8314 -5.6181 -5.6181 -5.2118 -5.2118 -5.1049 -5.1049 -5.0708 -5.0708 -5.0352 -5.0352 -4.3340 -4.3340 -4.2976 -4.2976 -4.2216 -4.2216 -4.1617 -4.1617 3.0420 3.0420 3.0525 3.0525 3.2371 3.2371 3.2382 3.2382 3.3653 3.3653 3.3745 3.3745 6.6310 6.6310 6.6358 6.6358 6.9780 6.9780 6.9828 6.9828 7.2559 7.2559 k = 0.2828 0.4899 0.3626 ( 25656 PWs) bands (ev): -17.8271 -17.8271 -17.8271 -17.8271 -17.0158 -17.0158 -17.0158 -17.0158 -6.6534 -6.6534 -6.5895 -6.5895 -6.3795 -6.3795 -6.1951 -6.1951 -5.8272 -5.8272 -5.6208 -5.6208 -5.2121 -5.2121 -5.1088 -5.1088 -5.0697 -5.0697 -5.0351 -5.0351 -4.3323 -4.3323 -4.2978 -4.2978 -4.2219 -4.2219 -4.1644 -4.1644 3.0386 3.0386 3.0479 3.0479 3.2352 3.2352 3.2370 3.2370 3.3680 3.3680 3.3747 3.3747 6.6447 6.6447 6.6495 6.6495 6.9410 6.9410 6.9450 6.9450 7.2520 7.2520 k = 0.2727 0.4724 0.3626 ( 25656 PWs) bands (ev): -17.8272 -17.8272 -17.8272 -17.8272 -17.0158 -17.0158 -17.0158 -17.0158 -6.6515 -6.6515 -6.5905 -6.5905 -6.3743 -6.3743 -6.1977 -6.1977 -5.8225 -5.8225 -5.6241 -5.6241 -5.2125 -5.2125 -5.1128 -5.1128 -5.0691 -5.0691 -5.0351 -5.0351 -4.3304 -4.3304 -4.2983 -4.2983 -4.2222 -4.2222 -4.1676 -4.1676 3.0344 3.0344 3.0424 3.0424 3.2324 3.2324 3.2372 3.2372 3.3704 3.3704 3.3746 3.3746 6.6612 6.6612 6.6659 6.6659 6.9010 6.9010 6.9044 6.9044 7.2369 7.2370 k = 0.2626 0.4549 0.3626 ( 25650 PWs) bands (ev): -17.8273 -17.8273 -17.8273 -17.8273 -17.0157 -17.0157 -17.0157 -17.0157 -6.6493 -6.6493 -6.5915 -6.5915 -6.3682 -6.3682 -6.2003 -6.2003 -5.8173 -5.8173 -5.6279 -5.6279 -5.2128 -5.2128 -5.1167 -5.1167 -5.0688 -5.0688 -5.0352 -5.0352 -4.3283 -4.3283 -4.2992 -4.2992 -4.2224 -4.2224 -4.1713 -4.1713 3.0294 3.0294 3.0361 3.0361 3.2300 3.2300 3.2378 3.2378 3.3723 3.3723 3.3739 3.3739 6.6799 6.6799 6.6846 6.6846 6.8589 6.8589 6.8621 6.8621 7.2182 7.2182 k = 0.2525 0.4374 0.3626 ( 25666 PWs) bands (ev): -17.8274 -17.8274 -17.8274 -17.8274 -17.0156 -17.0156 -17.0156 -17.0156 -6.6469 -6.6469 -6.5927 -6.5927 -6.3613 -6.3613 -6.2027 -6.2027 -5.8118 -5.8118 -5.6321 -5.6321 -5.2131 -5.2131 -5.1207 -5.1207 -5.0690 -5.0690 -5.0355 -5.0355 -4.3262 -4.3262 -4.3004 -4.3004 -4.2226 -4.2226 -4.1754 -4.1754 3.0238 3.0238 3.0293 3.0293 3.2280 3.2280 3.2387 3.2387 3.3725 3.3725 3.3735 3.3735 6.7005 6.7005 6.7051 6.7051 6.8159 6.8159 6.8189 6.8189 7.1973 7.1973 k = 0.2424 0.4199 0.3626 ( 25662 PWs) bands (ev): -17.8275 -17.8275 -17.8275 -17.8275 -17.0155 -17.0155 -17.0155 -17.0155 -6.6442 -6.6442 -6.5938 -6.5938 -6.3537 -6.3537 -6.2050 -6.2050 -5.8061 -5.8061 -5.6368 -5.6368 -5.2132 -5.2132 -5.1247 -5.1247 -5.0696 -5.0696 -5.0359 -5.0359 -4.3241 -4.3241 -4.3018 -4.3018 -4.2228 -4.2228 -4.1799 -4.1799 3.0178 3.0178 3.0221 3.0221 3.2265 3.2265 3.2399 3.2399 3.3703 3.3703 3.3740 3.3740 6.7211 6.7211 6.7252 6.7252 6.7737 6.7737 6.7770 6.7770 7.1752 7.1752 k = 0.2323 0.4024 0.3626 ( 25658 PWs) bands (ev): -17.8276 -17.8276 -17.8276 -17.8276 -17.0154 -17.0154 -17.0154 -17.0154 -6.6414 -6.6414 -6.5950 -6.5950 -6.3452 -6.3452 -6.2068 -6.2068 -5.8002 -5.8002 -5.6419 -5.6419 -5.2132 -5.2132 -5.1287 -5.1287 -5.0704 -5.0704 -5.0366 -5.0366 -4.3221 -4.3221 -4.3036 -4.3036 -4.2231 -4.2231 -4.1848 -4.1848 3.0115 3.0115 3.0148 3.0148 3.2253 3.2253 3.2411 3.2411 3.3674 3.3674 3.3736 3.3736 6.7198 6.7198 6.7214 6.7214 6.7538 6.7538 6.7596 6.7596 7.1526 7.1526 k = 0.2222 0.3849 0.3626 ( 25646 PWs) bands (ev): -17.8278 -17.8278 -17.8278 -17.8278 -17.0153 -17.0153 -17.0153 -17.0153 -6.6385 -6.6385 -6.5961 -6.5961 -6.3361 -6.3361 -6.2083 -6.2083 -5.7944 -5.7944 -5.6474 -5.6474 -5.2130 -5.2130 -5.1326 -5.1326 -5.0716 -5.0716 -5.0376 -5.0376 -4.3202 -4.3202 -4.3056 -4.3056 -4.2235 -4.2235 -4.1899 -4.1899 3.0053 3.0053 3.0078 3.0078 3.2242 3.2242 3.2423 3.2423 3.3638 3.3638 3.3725 3.3725 6.6795 6.6795 6.6812 6.6812 6.7730 6.7730 6.7788 6.7788 7.1300 7.1300 k = 0.2121 0.3674 0.3626 ( 25642 PWs) bands (ev): -17.8279 -17.8279 -17.8279 -17.8279 -17.0152 -17.0152 -17.0152 -17.0152 -6.6355 -6.6355 -6.5973 -6.5973 -6.3264 -6.3264 -6.2092 -6.2092 -5.7886 -5.7886 -5.6531 -5.6531 -5.2125 -5.2125 -5.1364 -5.1364 -5.0729 -5.0729 -5.0389 -5.0389 -4.3185 -4.3185 -4.3078 -4.3078 -4.2241 -4.2241 -4.1953 -4.1953 2.9994 2.9994 3.0011 3.0011 3.2230 3.2230 3.2430 3.2430 3.3596 3.3596 3.3706 3.3706 6.6361 6.6361 6.6377 6.6377 6.7948 6.7948 6.8009 6.8009 7.1077 7.1077 k = 0.2020 0.3499 0.3626 ( 25638 PWs) bands (ev): -17.8281 -17.8281 -17.8281 -17.8281 -17.0151 -17.0151 -17.0151 -17.0151 -6.6325 -6.6325 -6.5983 -6.5983 -6.3160 -6.3160 -6.2095 -6.2095 -5.7831 -5.7831 -5.6592 -5.6592 -5.2118 -5.2118 -5.1402 -5.1402 -5.0744 -5.0744 -5.0406 -5.0406 -4.3170 -4.3170 -4.3100 -4.3100 -4.2249 -4.2249 -4.2008 -4.2008 2.9941 2.9941 2.9951 2.9951 3.2215 3.2215 3.2430 3.2430 3.3551 3.3551 3.3680 3.3680 6.5928 6.5928 6.5943 6.5943 6.8155 6.8155 6.8221 6.8221 7.0850 7.0850 k = 0.1919 0.3324 0.3626 ( 25626 PWs) bands (ev): -17.8283 -17.8283 -17.8283 -17.8283 -17.0150 -17.0150 -17.0149 -17.0149 -6.6296 -6.6296 -6.5994 -6.5994 -6.3052 -6.3052 -6.2092 -6.2092 -5.7778 -5.7778 -5.6655 -5.6655 -5.2109 -5.2109 -5.1438 -5.1438 -5.0761 -5.0761 -5.0426 -5.0426 -4.3159 -4.3159 -4.3122 -4.3122 -4.2261 -4.2261 -4.2065 -4.2065 2.9896 2.9896 2.9901 2.9901 3.2195 3.2195 3.2421 3.2421 3.3503 3.3503 3.3648 3.3648 6.5501 6.5501 6.5514 6.5514 6.8339 6.8339 6.8413 6.8413 7.0624 7.0624 k = 0.1818 0.3149 0.3626 ( 25646 PWs) bands (ev): -17.8285 -17.8285 -17.8285 -17.8285 -17.0148 -17.0148 -17.0148 -17.0148 -6.6267 -6.6267 -6.6003 -6.6003 -6.2939 -6.2939 -6.2082 -6.2082 -5.7728 -5.7728 -5.6720 -5.6720 -5.2096 -5.2096 -5.1474 -5.1474 -5.0778 -5.0778 -5.0450 -5.0450 -4.3150 -4.3150 -4.3144 -4.3144 -4.2276 -4.2276 -4.2123 -4.2123 2.9860 2.9860 2.9861 2.9861 3.2167 3.2167 3.2399 3.2399 3.3454 3.3454 3.3612 3.3612 6.5081 6.5081 6.5093 6.5093 6.8493 6.8493 6.8579 6.8579 7.0406 7.0406 k = 0.1717 0.2974 0.3626 ( 25652 PWs) bands (ev): -17.8286 -17.8286 -17.8286 -17.8286 -17.0147 -17.0147 -17.0147 -17.0147 -6.6240 -6.6240 -6.6012 -6.6012 -6.2822 -6.2822 -6.2066 -6.2066 -5.7682 -5.7682 -5.6787 -5.6787 -5.2080 -5.2080 -5.1507 -5.1507 -5.0797 -5.0797 -5.0478 -5.0478 -4.3165 -4.3165 -4.3144 -4.3144 -4.2295 -4.2295 -4.2181 -4.2181 2.9832 2.9832 2.9838 2.9838 3.2131 3.2131 3.2364 3.2364 3.3406 3.3406 3.3570 3.3570 6.4670 6.4670 6.4681 6.4681 6.8612 6.8612 6.8715 6.8715 7.0197 7.0197 k = 0.1616 0.2799 0.3626 ( 25632 PWs) bands (ev): -17.8288 -17.8288 -17.8288 -17.8288 -17.0145 -17.0145 -17.0145 -17.0145 -6.6214 -6.6214 -6.6020 -6.6020 -6.2703 -6.2703 -6.2042 -6.2042 -5.7641 -5.7641 -5.6854 -5.6854 -5.2062 -5.2062 -5.1539 -5.1539 -5.0815 -5.0815 -5.0510 -5.0510 -4.3184 -4.3184 -4.3141 -4.3141 -4.2318 -4.2318 -4.2238 -4.2238 2.9818 2.9818 2.9828 2.9828 3.2086 3.2086 3.2316 3.2316 3.3358 3.3358 3.3524 3.3524 6.4270 6.4270 6.4279 6.4279 6.8696 6.8696 6.8819 6.8819 6.9999 6.9999 k = 0.1515 0.2624 0.3626 ( 25632 PWs) bands (ev): -17.8290 -17.8290 -17.8290 -17.8290 -17.0144 -17.0144 -17.0144 -17.0144 -6.6190 -6.6190 -6.6027 -6.6027 -6.2582 -6.2582 -6.2012 -6.2012 -5.7604 -5.7604 -5.6922 -5.6922 -5.2041 -5.2041 -5.1569 -5.1569 -5.0835 -5.0835 -5.0546 -5.0546 -4.3200 -4.3200 -4.3141 -4.3141 -4.2345 -4.2345 -4.2295 -4.2295 2.9818 2.9818 2.9832 2.9832 3.2033 3.2033 3.2254 3.2254 3.3310 3.3310 3.3472 3.3472 6.3882 6.3882 6.3890 6.3890 6.8745 6.8745 6.8893 6.8893 6.9812 6.9812 k = 0.1414 0.2449 0.3626 ( 25640 PWs) bands (ev): -17.8292 -17.8292 -17.8292 -17.8292 -17.0142 -17.0142 -17.0142 -17.0142 -6.6168 -6.6168 -6.6034 -6.6034 -6.2461 -6.2461 -6.1976 -6.1976 -5.7573 -5.7573 -5.6989 -5.6989 -5.2017 -5.2017 -5.1596 -5.1596 -5.0854 -5.0854 -5.0585 -5.0585 -4.3214 -4.3214 -4.3144 -4.3144 -4.2376 -4.2376 -4.2351 -4.2351 2.9833 2.9833 2.9851 2.9851 3.1973 3.1973 3.2181 3.2181 3.3261 3.3261 3.3414 3.3414 6.3508 6.3508 6.3514 6.3514 6.8764 6.8764 6.8938 6.8938 6.9636 6.9636 k = 0.1313 0.2274 0.3626 ( 25620 PWs) bands (ev): -17.8294 -17.8294 -17.8294 -17.8294 -17.0141 -17.0141 -17.0141 -17.0141 -6.6148 -6.6148 -6.6039 -6.6039 -6.2340 -6.2340 -6.1934 -6.1934 -5.7546 -5.7546 -5.7056 -5.7056 -5.1990 -5.1990 -5.1621 -5.1621 -5.0874 -5.0874 -5.0628 -5.0628 -4.3225 -4.3225 -4.3149 -4.3149 -4.2411 -4.2411 -4.2405 -4.2405 2.9864 2.9864 2.9885 2.9885 3.1906 3.1906 3.2100 3.2100 3.3207 3.3207 3.3350 3.3350 6.3148 6.3148 6.3152 6.3152 6.8759 6.8759 6.8960 6.8960 6.9472 6.9472 k = 0.1212 0.2099 0.3626 ( 25632 PWs) bands (ev): -17.8296 -17.8296 -17.8296 -17.8296 -17.0139 -17.0139 -17.0139 -17.0139 -6.6130 -6.6130 -6.6044 -6.6044 -6.2220 -6.2220 -6.1887 -6.1887 -5.7526 -5.7526 -5.7121 -5.7121 -5.1961 -5.1961 -5.1642 -5.1642 -5.0894 -5.0894 -5.0673 -5.0673 -4.3233 -4.3233 -4.3155 -4.3155 -4.2458 -4.2458 -4.2448 -4.2448 2.9910 2.9910 2.9934 2.9934 3.1836 3.1836 3.2012 3.2012 3.3147 3.3147 3.3277 3.3277 6.2804 6.2804 6.2808 6.2808 6.8736 6.8736 6.8961 6.8961 6.9322 6.9322 k = 0.1111 0.1925 0.3626 ( 25632 PWs) bands (ev): -17.8298 -17.8298 -17.8298 -17.8298 -17.0138 -17.0138 -17.0138 -17.0138 -6.6115 -6.6115 -6.6048 -6.6048 -6.2104 -6.2104 -6.1836 -6.1836 -5.7510 -5.7510 -5.7184 -5.7184 -5.1931 -5.1931 -5.1661 -5.1661 -5.0914 -5.0914 -5.0720 -5.0720 -4.3238 -4.3238 -4.3163 -4.3163 -4.2508 -4.2508 -4.2489 -4.2489 2.9972 2.9972 2.9998 2.9998 3.1763 3.1763 3.1923 3.1923 3.3080 3.3080 3.3195 3.3195 6.2478 6.2478 6.2481 6.2481 6.8701 6.8701 6.8942 6.8942 6.9186 6.9186 k = 0.1010 0.1750 0.3626 ( 25640 PWs) bands (ev): -17.8300 -17.8300 -17.8300 -17.8300 -17.0137 -17.0137 -17.0137 -17.0137 -6.6101 -6.6101 -6.6051 -6.6051 -6.1992 -6.1992 -6.1782 -6.1782 -5.7500 -5.7500 -5.7244 -5.7244 -5.1899 -5.1899 -5.1676 -5.1676 -5.0934 -5.0934 -5.0769 -5.0769 -4.3240 -4.3240 -4.3171 -4.3171 -4.2556 -4.2556 -4.2532 -4.2532 3.0048 3.0048 3.0076 3.0076 3.1691 3.1691 3.1833 3.1833 3.3003 3.3003 3.3104 3.3104 6.2173 6.2173 6.2175 6.2175 6.8660 6.8660 6.8903 6.8903 6.9070 6.9070 k = 0.0909 0.1575 0.3626 ( 25636 PWs) bands (ev): -17.8301 -17.8301 -17.8301 -17.8301 -17.0135 -17.0135 -17.0135 -17.0135 -6.6090 -6.6090 -6.6053 -6.6053 -6.1885 -6.1885 -6.1726 -6.1726 -5.7495 -5.7495 -5.7301 -5.7301 -5.1866 -5.1866 -5.1688 -5.1688 -5.0954 -5.0954 -5.0818 -5.0818 -4.3240 -4.3240 -4.3179 -4.3179 -4.2602 -4.2602 -4.2575 -4.2575 3.0138 3.0138 3.0167 3.0167 3.1621 3.1621 3.1746 3.1746 3.2916 3.2916 3.3002 3.3002 6.1889 6.1889 6.1890 6.1890 6.8616 6.8616 6.8838 6.8838 6.8981 6.8981 k = 0.0808 0.1400 0.3626 ( 25636 PWs) bands (ev): -17.8303 -17.8303 -17.8303 -17.8303 -17.0134 -17.0134 -17.0134 -17.0134 -6.6081 -6.6081 -6.6055 -6.6055 -6.1786 -6.1786 -6.1670 -6.1670 -5.7495 -5.7495 -5.7353 -5.7353 -5.1834 -5.1834 -5.1696 -5.1696 -5.0974 -5.0974 -5.0867 -5.0867 -4.3237 -4.3237 -4.3186 -4.3186 -4.2645 -4.2645 -4.2619 -4.2619 3.0240 3.0240 3.0270 3.0270 3.1556 3.1556 3.1664 3.1664 3.2818 3.2818 3.2890 3.2890 6.1629 6.1629 6.1630 6.1630 6.8572 6.8572 6.8754 6.8754 6.8916 6.8916 k = 0.0707 0.1225 0.3626 ( 25656 PWs) bands (ev): -17.8304 -17.8304 -17.8304 -17.8304 -17.0133 -17.0133 -17.0133 -17.0133 -6.6074 -6.6074 -6.6056 -6.6056 -6.1695 -6.1695 -6.1615 -6.1615 -5.7498 -5.7498 -5.7400 -5.7400 -5.1802 -5.1802 -5.1701 -5.1701 -5.0995 -5.0995 -5.0914 -5.0914 -4.3232 -4.3232 -4.3192 -4.3192 -4.2685 -4.2685 -4.2663 -4.2663 3.0352 3.0352 3.0382 3.0382 3.1499 3.1499 3.1591 3.1591 3.2710 3.2710 3.2768 3.2768 6.1394 6.1394 6.1395 6.1395 6.8530 6.8530 6.8668 6.8668 6.8861 6.8861 k = 0.0606 0.1050 0.3626 ( 25666 PWs) bands (ev): -17.8305 -17.8305 -17.8305 -17.8305 -17.0132 -17.0132 -17.0132 -17.0132 -6.6068 -6.6068 -6.6057 -6.6057 -6.1614 -6.1614 -6.1562 -6.1562 -5.7505 -5.7505 -5.7441 -5.7441 -5.1772 -5.1772 -5.1702 -5.1702 -5.1015 -5.1015 -5.0958 -5.0958 -4.3225 -4.3225 -4.3196 -4.3196 -4.2722 -4.2722 -4.2704 -4.2704 3.0472 3.0472 3.0499 3.0499 3.1453 3.1453 3.1528 3.1528 3.2592 3.2592 3.2637 3.2637 6.1187 6.1187 6.1187 6.1187 6.8491 6.8491 6.8587 6.8587 6.8811 6.8811 k = 0.0505 0.0875 0.3626 ( 25672 PWs) bands (ev): -17.8307 -17.8307 -17.8307 -17.8307 -17.0131 -17.0131 -17.0131 -17.0131 -6.6064 -6.6064 -6.6057 -6.6057 -6.1544 -6.1544 -6.1513 -6.1513 -5.7514 -5.7514 -5.7475 -5.7475 -5.1745 -5.1745 -5.1701 -5.1701 -5.1034 -5.1034 -5.0998 -5.0998 -4.3218 -4.3218 -4.3199 -4.3199 -4.2755 -4.2755 -4.2743 -4.2743 3.0594 3.0594 3.0618 3.0618 3.1421 3.1421 3.1480 3.1480 3.2465 3.2465 3.2498 3.2498 6.1009 6.1009 6.1009 6.1009 6.8456 6.8456 6.8517 6.8517 6.8763 6.8763 k = 0.0404 0.0700 0.3626 ( 25652 PWs) bands (ev): -17.8307 -17.8307 -17.8307 -17.8307 -17.0131 -17.0131 -17.0131 -17.0131 -6.6061 -6.6061 -6.6057 -6.6057 -6.1486 -6.1486 -6.1470 -6.1470 -5.7524 -5.7524 -5.7503 -5.7503 -5.1721 -5.1721 -5.1697 -5.1697 -5.1053 -5.1053 -5.1032 -5.1032 -4.3211 -4.3211 -4.3199 -4.3199 -4.2784 -4.2784 -4.2776 -4.2776 3.0711 3.0711 3.0730 3.0730 3.1409 3.1409 3.1451 3.1451 3.2332 3.2332 3.2355 3.2355 6.0861 6.0861 6.0861 6.0861 6.8425 6.8425 6.8458 6.8458 6.8720 6.8720 k = 0.0303 0.0525 0.3626 ( 25624 PWs) bands (ev): -17.8308 -17.8308 -17.8308 -17.8308 -17.0130 -17.0130 -17.0130 -17.0130 -6.6058 -6.6058 -6.6057 -6.6057 -6.1441 -6.1441 -6.1434 -6.1434 -5.7533 -5.7533 -5.7525 -5.7525 -5.1703 -5.1703 -5.1692 -5.1692 -5.1069 -5.1069 -5.1059 -5.1059 -4.3204 -4.3204 -4.3199 -4.3199 -4.2808 -4.2808 -4.2805 -4.2805 3.0814 3.0814 3.0825 3.0825 3.1424 3.1424 3.1450 3.1450 3.2196 3.2196 3.2209 3.2209 6.0745 6.0745 6.0745 6.0745 6.8398 6.8398 6.8413 6.8413 6.8682 6.8682 k = 0.0202 0.0350 0.3626 ( 25628 PWs) bands (ev): -17.8309 -17.8309 -17.8309 -17.8309 -17.0130 -17.0130 -17.0130 -17.0130 -6.6057 -6.6057 -6.6057 -6.6057 -6.1409 -6.1409 -6.1407 -6.1407 -5.7542 -5.7542 -5.7539 -5.7539 -5.1689 -5.1689 -5.1686 -5.1686 -5.1082 -5.1082 -5.1079 -5.1079 -4.3199 -4.3199 -4.3197 -4.3197 -4.2827 -4.2827 -4.2826 -4.2826 3.0890 3.0890 3.0894 3.0894 3.1471 3.1471 3.1482 3.1482 3.2063 3.2063 3.2069 3.2069 6.0661 6.0661 6.0661 6.0661 6.8376 6.8376 6.8381 6.8381 6.8653 6.8653 k = 0.0101 0.0175 0.3626 ( 25624 PWs) bands (ev): -17.8309 -17.8309 -17.8309 -17.8309 -17.0129 -17.0129 -17.0129 -17.0129 -6.6056 -6.6056 -6.6056 -6.6056 -6.1390 -6.1390 -6.1389 -6.1389 -5.7548 -5.7548 -5.7548 -5.7548 -5.1682 -5.1682 -5.1682 -5.1682 -5.1091 -5.1091 -5.1091 -5.1091 -4.3195 -4.3195 -4.3195 -4.3195 -4.2839 -4.2839 -4.2838 -4.2838 3.0933 3.0933 3.0933 3.0933 3.1536 3.1536 3.1538 3.1538 3.1948 3.1948 3.1949 3.1949 6.0611 6.0611 6.0611 6.0611 6.8362 6.8362 6.8363 6.8363 6.8634 6.8634 k = 0.0000 0.0000 0.3626 ( 25620 PWs) bands (ev): -17.8309 -17.8309 -17.8309 -17.8309 -17.0129 -17.0129 -17.0129 -17.0129 -6.6056 -6.6056 -6.6056 -6.6056 -6.1383 -6.1383 -6.1383 -6.1383 -5.7550 -5.7550 -5.7550 -5.7550 -5.1680 -5.1680 -5.1680 -5.1680 -5.1094 -5.1094 -5.1094 -5.1094 -4.3194 -4.3194 -4.3194 -4.3194 -4.2843 -4.2843 -4.2843 -4.2843 3.0946 3.0946 3.0946 3.0946 3.1574 3.1574 3.1574 3.1574 3.1894 3.1894 3.1894 3.1894 6.0594 6.0594 6.0594 6.0594 6.8357 6.8357 6.8357 6.8357 6.8627 6.8627 k = 0.5000 0.2887 0.3626 ( 25712 PWs) bands (ev): -17.8274 -17.8274 -17.8274 -17.8274 -17.0156 -17.0156 -17.0156 -17.0156 -6.6202 -6.6202 -6.6202 -6.6202 -6.2903 -6.2903 -6.2903 -6.2903 -5.7121 -5.7121 -5.7121 -5.7121 -5.1912 -5.1912 -5.1912 -5.1912 -5.0335 -5.0335 -5.0335 -5.0335 -4.2889 -4.2889 -4.2889 -4.2889 -4.2186 -4.2186 -4.2186 -4.2186 2.9986 2.9986 2.9986 2.9986 3.2837 3.2837 3.2837 3.2837 3.3430 3.3430 3.3430 3.3430 6.7160 6.7160 6.7160 6.7160 7.0364 7.0364 7.0364 7.0364 7.0538 7.0538 k = 0.5000 0.2887 0.3424 ( 25704 PWs) bands (ev): -17.8292 -17.8292 -17.8256 -17.8256 -17.0157 -17.0157 -17.0155 -17.0155 -6.6253 -6.6253 -6.6153 -6.6153 -6.2912 -6.2912 -6.2891 -6.2891 -5.7147 -5.7147 -5.7096 -5.7096 -5.2017 -5.2017 -5.1808 -5.1808 -5.0358 -5.0358 -5.0307 -5.0307 -4.2934 -4.2934 -4.2845 -4.2845 -4.2220 -4.2220 -4.2152 -4.2152 2.9905 2.9905 3.0074 3.0074 3.2835 3.2835 3.2845 3.2845 3.3407 3.3407 3.3455 3.3455 6.6280 6.6280 6.8007 6.8007 7.0082 7.0082 7.0370 7.0370 7.0520 7.0520 k = 0.5000 0.2887 0.3223 ( 25676 PWs) bands (ev): -17.8310 -17.8310 -17.8238 -17.8238 -17.0158 -17.0158 -17.0154 -17.0154 -6.6306 -6.6306 -6.6106 -6.6106 -6.2919 -6.2919 -6.2877 -6.2877 -5.7175 -5.7175 -5.7074 -5.7074 -5.2120 -5.2120 -5.1707 -5.1707 -5.0374 -5.0374 -5.0276 -5.0276 -4.2981 -4.2981 -4.2803 -4.2803 -4.2254 -4.2254 -4.2120 -4.2120 2.9832 2.9832 3.0171 3.0171 3.2840 3.2840 3.2857 3.2857 3.3386 3.3386 3.3481 3.3481 6.5396 6.5396 6.8738 6.8738 6.9775 6.9775 7.0349 7.0349 7.0510 7.0510 k = 0.5000 0.2887 0.3021 ( 25668 PWs) bands (ev): -17.8328 -17.8328 -17.8221 -17.8221 -17.0160 -17.0160 -17.0153 -17.0153 -6.6360 -6.6360 -6.6062 -6.6062 -6.2924 -6.2924 -6.2862 -6.2862 -5.7205 -5.7205 -5.7053 -5.7053 -5.2220 -5.2220 -5.1611 -5.1611 -5.0383 -5.0383 -5.0242 -5.0242 -4.3028 -4.3028 -4.2763 -4.2763 -4.2287 -4.2287 -4.2088 -4.2088 2.9764 2.9764 3.0277 3.0277 3.2853 3.2853 3.2870 3.2870 3.3370 3.3370 3.3509 3.3509 6.4524 6.4524 6.9131 6.9131 6.9495 6.9495 7.0386 7.0386 7.0645 7.0645 k = 0.5000 0.2887 0.2820 ( 25662 PWs) bands (ev): -17.8345 -17.8345 -17.8203 -17.8203 -17.0161 -17.0161 -17.0151 -17.0151 -6.6415 -6.6415 -6.6021 -6.6021 -6.2926 -6.2926 -6.2845 -6.2845 -5.7236 -5.7236 -5.7035 -5.7035 -5.2316 -5.2316 -5.1522 -5.1522 -5.0381 -5.0381 -5.0207 -5.0207 -4.3075 -4.3075 -4.2726 -4.2726 -4.2321 -4.2321 -4.2057 -4.2057 2.9701 2.9701 3.0392 3.0392 3.2873 3.2873 3.2886 3.2886 3.3358 3.3358 3.3536 3.3536 6.3674 6.3674 6.9102 6.9102 6.9258 6.9258 7.0205 7.0205 7.0326 7.0326 k = 0.5000 0.2887 0.2618 ( 25676 PWs) bands (ev): -17.8362 -17.8362 -17.8186 -17.8186 -17.0162 -17.0162 -17.0150 -17.0150 -6.6470 -6.6470 -6.5983 -6.5983 -6.2925 -6.2925 -6.2828 -6.2828 -5.7268 -5.7268 -5.7019 -5.7019 -5.2408 -5.2408 -5.1445 -5.1445 -5.0367 -5.0367 -5.0172 -5.0172 -4.3121 -4.3121 -4.2692 -4.2692 -4.2353 -4.2353 -4.2028 -4.2028 2.9641 2.9641 3.0517 3.0517 3.2886 3.2886 3.2916 3.2916 3.3351 3.3351 3.3563 3.3563 6.2854 6.2854 6.8902 6.8902 6.9040 6.9040 6.9825 6.9825 6.9980 6.9980 k = 0.5000 0.2887 0.2417 ( 25684 PWs) bands (ev): -17.8378 -17.8378 -17.8170 -17.8170 -17.0163 -17.0163 -17.0149 -17.0149 -6.6525 -6.6525 -6.5949 -6.5949 -6.2922 -6.2922 -6.2810 -6.2810 -5.7300 -5.7300 -5.7005 -5.7005 -5.2493 -5.2493 -5.1380 -5.1380 -5.0340 -5.0340 -5.0136 -5.0136 -4.3167 -4.3167 -4.2662 -4.2662 -4.2382 -4.2382 -4.2000 -4.2000 2.9585 2.9585 3.0650 3.0650 3.2891 3.2891 3.2960 3.2960 3.3349 3.3349 3.3590 3.3590 6.2072 6.2072 6.8673 6.8673 6.8822 6.8822 6.9382 6.9382 6.9667 6.9667 k = 0.5000 0.2887 0.2216 ( 25662 PWs) bands (ev): -17.8393 -17.8393 -17.8155 -17.8155 -17.0164 -17.0164 -17.0148 -17.0148 -6.6578 -6.6578 -6.5917 -6.5917 -6.2917 -6.2917 -6.2792 -6.2792 -5.7332 -5.7332 -5.6993 -5.6993 -5.2573 -5.2573 -5.1329 -5.1329 -5.0299 -5.0299 -5.0101 -5.0101 -4.3212 -4.3212 -4.2637 -4.2637 -4.2409 -4.2409 -4.1974 -4.1974 2.9530 2.9530 3.0790 3.0790 3.2890 3.2890 3.3013 3.3013 3.3351 3.3351 3.3616 3.3616 6.1333 6.1333 6.8432 6.8432 6.8624 6.8624 6.8964 6.8964 6.9325 6.9325 k = 0.5000 0.2887 0.2014 ( 25660 PWs) bands (ev): -17.8407 -17.8407 -17.8141 -17.8141 -17.0165 -17.0165 -17.0147 -17.0147 -6.6630 -6.6630 -6.5888 -6.5888 -6.2909 -6.2909 -6.2775 -6.2775 -5.7364 -5.7364 -5.6982 -5.6982 -5.2647 -5.2647 -5.1291 -5.1291 -5.0247 -5.0247 -5.0068 -5.0068 -4.3255 -4.3255 -4.2620 -4.2620 -4.2430 -4.2430 -4.1949 -4.1949 2.9478 2.9478 3.0937 3.0937 3.2883 3.2883 3.3074 3.3074 3.3357 3.3357 3.3640 3.3640 6.0642 6.0642 6.8181 6.8181 6.8449 6.8449 6.8582 6.8582 6.8974 6.8974 k = 0.5000 0.2887 0.1813 ( 25670 PWs) bands (ev): -17.8420 -17.8420 -17.8127 -17.8127 -17.0166 -17.0166 -17.0146 -17.0146 -6.6680 -6.6680 -6.5862 -6.5862 -6.2901 -6.2901 -6.2758 -6.2758 -5.7395 -5.7395 -5.6974 -5.6974 -5.2713 -5.2713 -5.1266 -5.1266 -5.0187 -5.0187 -5.0036 -5.0036 -4.3295 -4.3295 -4.2611 -4.2611 -4.2443 -4.2443 -4.1926 -4.1926 2.9428 2.9428 3.1088 3.1088 3.2872 3.2872 3.3137 3.3137 3.3367 3.3367 3.3663 3.3663 6.0005 6.0005 6.7928 6.7928 6.8182 6.8182 6.8346 6.8346 6.8635 6.8635 k = 0.5000 0.2887 0.1611 ( 25674 PWs) bands (ev): -17.8432 -17.8432 -17.8115 -17.8115 -17.0167 -17.0167 -17.0146 -17.0146 -6.6726 -6.6726 -6.5840 -6.5840 -6.2891 -6.2891 -6.2742 -6.2742 -5.7425 -5.7425 -5.6967 -5.6967 -5.2773 -5.2773 -5.1250 -5.1250 -5.0121 -5.0121 -5.0006 -5.0006 -4.3333 -4.3333 -4.2612 -4.2612 -4.2447 -4.2447 -4.1905 -4.1905 2.9380 2.9380 3.1241 3.1241 3.2858 3.2858 3.3198 3.3198 3.3382 3.3382 3.3685 3.3685 5.9424 5.9424 6.7671 6.7671 6.7862 6.7862 6.8201 6.8201 6.8350 6.8350 k = 0.5000 0.2887 0.1410 ( 25666 PWs) bands (ev): -17.8443 -17.8443 -17.8104 -17.8104 -17.0167 -17.0167 -17.0145 -17.0145 -6.6769 -6.6769 -6.5820 -6.5820 -6.2881 -6.2881 -6.2728 -6.2728 -5.7453 -5.7453 -5.6961 -5.6961 -5.2826 -5.2826 -5.1241 -5.1241 -5.0054 -5.0054 -4.9979 -4.9979 -4.3368 -4.3368 -4.2621 -4.2621 -4.2444 -4.2444 -4.1886 -4.1886 2.9336 2.9336 3.1394 3.1394 3.2840 3.2840 3.3246 3.3246 3.3407 3.3407 3.3705 3.3705 5.8904 5.8904 6.7399 6.7399 6.7589 6.7589 6.7981 6.7981 6.8207 6.8207 k = 0.5000 0.2887 0.1209 ( 25656 PWs) bands (ev): -17.8453 -17.8453 -17.8094 -17.8094 -17.0168 -17.0168 -17.0144 -17.0144 -6.6807 -6.6807 -6.5803 -6.5803 -6.2870 -6.2870 -6.2715 -6.2715 -5.7478 -5.7478 -5.6957 -5.6957 -5.2872 -5.2872 -5.1237 -5.1237 -4.9990 -4.9990 -4.9954 -4.9954 -4.3399 -4.3399 -4.2634 -4.2634 -4.2437 -4.2437 -4.1870 -4.1870 2.9295 2.9295 3.1543 3.1543 3.2819 3.2819 3.3274 3.3274 3.3447 3.3447 3.3724 3.3724 5.8448 5.8448 6.7119 6.7119 6.7371 6.7371 6.7748 6.7748 6.8142 6.8142 k = 0.5000 0.2887 0.1007 ( 25666 PWs) bands (ev): -17.8461 -17.8461 -17.8085 -17.8085 -17.0169 -17.0169 -17.0144 -17.0144 -6.6840 -6.6840 -6.5789 -6.5789 -6.2860 -6.2860 -6.2704 -6.2704 -5.7501 -5.7501 -5.6953 -5.6953 -5.2911 -5.2911 -5.1236 -5.1236 -4.9934 -4.9934 -4.9930 -4.9930 -4.3426 -4.3426 -4.2649 -4.2649 -4.2428 -4.2428 -4.1856 -4.1856 2.9259 2.9259 3.1685 3.1685 3.2795 3.2795 3.3284 3.3284 3.3496 3.3496 3.3742 3.3742 5.8058 5.8058 6.6856 6.6856 6.7193 6.7193 6.7549 6.7549 6.8104 6.8104 k = 0.5000 0.2887 0.0806 ( 25668 PWs) bands (ev): -17.8468 -17.8468 -17.8078 -17.8078 -17.0169 -17.0169 -17.0143 -17.0143 -6.6868 -6.6868 -6.5777 -6.5777 -6.2851 -6.2851 -6.2695 -6.2695 -5.7520 -5.7520 -5.6950 -5.6950 -5.2942 -5.2942 -5.1237 -5.1237 -4.9916 -4.9916 -4.9879 -4.9879 -4.3449 -4.3449 -4.2663 -4.2663 -4.2420 -4.2420 -4.1844 -4.1844 2.9228 2.9228 3.1817 3.1817 3.2770 3.2770 3.3282 3.3282 3.3544 3.3544 3.3759 3.3759 5.7736 5.7736 6.6627 6.6627 6.7048 6.7048 6.7389 6.7389 6.8082 6.8082 k = 0.5000 0.2887 0.0604 ( 25656 PWs) bands (ev): -17.8473 -17.8473 -17.8073 -17.8073 -17.0169 -17.0169 -17.0143 -17.0143 -6.6891 -6.6891 -6.5768 -6.5768 -6.2843 -6.2843 -6.2687 -6.2687 -5.7535 -5.7535 -5.6949 -5.6949 -5.2967 -5.2967 -5.1239 -5.1239 -4.9902 -4.9902 -4.9836 -4.9836 -4.3467 -4.3467 -4.2674 -4.2674 -4.2412 -4.2412 -4.1835 -4.1835 2.9204 2.9204 3.1933 3.1933 3.2742 3.2742 3.3275 3.3275 3.3585 3.3585 3.3774 3.3774 5.7483 5.7483 6.6441 6.6441 6.6935 6.6935 6.7267 6.7267 6.8072 6.8072 k = 0.5000 0.2887 0.0403 ( 25632 PWs) bands (ev): -17.8477 -17.8477 -17.8069 -17.8069 -17.0170 -17.0170 -17.0143 -17.0143 -6.6907 -6.6907 -6.5762 -6.5762 -6.2837 -6.2837 -6.2682 -6.2682 -5.7546 -5.7546 -5.6947 -5.6947 -5.2984 -5.2984 -5.1240 -5.1240 -4.9892 -4.9892 -4.9805 -4.9805 -4.3480 -4.3480 -4.2683 -4.2683 -4.2407 -4.2407 -4.1828 -4.1828 2.9185 2.9185 3.2027 3.2027 3.2716 3.2716 3.3266 3.3266 3.3614 3.3614 3.3788 3.3788 5.7302 5.7302 6.6304 6.6304 6.6854 6.6854 6.7181 6.7181 6.8068 6.8068 k = 0.5000 0.2887 0.0201 ( 25636 PWs) bands (ev): -17.8480 -17.8480 -17.8067 -17.8067 -17.0170 -17.0170 -17.0143 -17.0143 -6.6917 -6.6917 -6.5758 -6.5758 -6.2834 -6.2834 -6.2679 -6.2679 -5.7553 -5.7553 -5.6947 -5.6947 -5.2995 -5.2995 -5.1241 -5.1241 -4.9885 -4.9885 -4.9786 -4.9786 -4.3488 -4.3488 -4.2689 -4.2689 -4.2404 -4.2404 -4.1824 -4.1824 2.9174 2.9174 3.2089 3.2089 3.2696 3.2696 3.3260 3.3260 3.3631 3.3631 3.3797 3.3797 5.7193 5.7193 6.6220 6.6220 6.6804 6.6804 6.7130 6.7130 6.8068 6.8068 k = 0.5000 0.2887-0.0000 ( 25632 PWs) bands (ev): -17.8480 -17.8480 -17.8066 -17.8066 -17.0170 -17.0170 -17.0143 -17.0143 -6.6920 -6.6920 -6.5757 -6.5757 -6.2833 -6.2833 -6.2678 -6.2678 -5.7555 -5.7555 -5.6946 -5.6946 -5.2998 -5.2998 -5.1241 -5.1241 -4.9883 -4.9883 -4.9780 -4.9780 -4.3490 -4.3490 -4.2690 -4.2690 -4.2403 -4.2403 -4.1823 -4.1823 2.9171 2.9171 3.2112 3.2112 3.2688 3.2688 3.3258 3.3258 3.3637 3.3637 3.3800 3.3800 5.7157 5.7157 6.6192 6.6192 6.6788 6.6788 6.7114 6.7114 6.8068 6.8068 k = 0.3333 0.5774-0.0000 ( 25611 PWs) bands (ev): -17.8473 -17.8473 -17.8065 -17.8065 -17.0159 -17.0159 -17.0159 -17.0159 -6.6792 -6.6792 -6.5990 -6.5990 -6.3805 -6.3805 -6.1487 -6.1487 -5.8789 -5.8789 -5.6299 -5.6299 -5.2570 -5.2570 -5.1097 -5.1097 -4.9951 -4.9951 -4.9819 -4.9819 -4.3537 -4.3537 -4.2956 -4.2956 -4.2267 -4.2267 -4.1605 -4.1605 3.0522 3.0522 3.0769 3.0769 3.2346 3.2346 3.3375 3.3375 3.3541 3.3541 3.5025 3.5025 5.6625 5.6625 6.2518 6.2518 6.6180 6.6180 6.6239 6.6239 7.1445 7.1445 k = 0.3333 0.5774 0.0201 ( 25632 PWs) bands (ev): -17.8472 -17.8472 -17.8066 -17.8066 -17.0159 -17.0159 -17.0159 -17.0159 -6.6790 -6.6790 -6.5990 -6.5990 -6.3806 -6.3806 -6.1490 -6.1490 -5.8786 -5.8786 -5.6298 -5.6298 -5.2568 -5.2568 -5.1095 -5.1095 -4.9954 -4.9954 -4.9826 -4.9826 -4.3536 -4.3536 -4.2956 -4.2956 -4.2267 -4.2267 -4.1605 -4.1605 3.0522 3.0522 3.0768 3.0768 3.2352 3.2352 3.3367 3.3367 3.3532 3.3532 3.5019 3.5019 5.6660 5.6660 6.2542 6.2542 6.6208 6.6208 6.6268 6.6268 7.1465 7.1465 k = 0.3333 0.5774 0.0403 ( 25626 PWs) bands (ev): -17.8470 -17.8470 -17.8068 -17.8068 -17.0159 -17.0159 -17.0159 -17.0159 -6.6785 -6.6785 -6.5989 -6.5989 -6.3808 -6.3808 -6.1499 -6.1499 -5.8776 -5.8776 -5.6294 -5.6294 -5.2562 -5.2562 -5.1090 -5.1090 -4.9960 -4.9960 -4.9847 -4.9847 -4.3531 -4.3531 -4.2957 -4.2957 -4.2265 -4.2265 -4.1604 -4.1604 3.0522 3.0522 3.0766 3.0766 3.2367 3.2367 3.3342 3.3342 3.3505 3.3505 3.5002 3.5002 5.6765 5.6765 6.2614 6.2614 6.6293 6.6293 6.6355 6.6355 7.1522 7.1522 k = 0.3333 0.5774 0.0604 ( 25617 PWs) bands (ev): -17.8466 -17.8466 -17.8072 -17.8072 -17.0159 -17.0159 -17.0159 -17.0159 -6.6775 -6.6775 -6.5986 -6.5986 -6.3812 -6.3812 -6.1513 -6.1513 -5.8761 -5.8761 -5.6288 -5.6288 -5.2552 -5.2552 -5.1082 -5.1082 -4.9971 -4.9971 -4.9882 -4.9882 -4.3525 -4.3525 -4.2958 -4.2958 -4.2263 -4.2263 -4.1602 -4.1602 3.0522 3.0522 3.0763 3.0763 3.2393 3.2393 3.3301 3.3301 3.3461 3.3461 3.4973 3.4973 5.6940 5.6940 6.2734 6.2734 6.6432 6.6432 6.6498 6.6498 7.1617 7.1617 k = 0.3333 0.5774 0.0806 ( 25611 PWs) bands (ev): -17.8461 -17.8461 -17.8077 -17.8077 -17.0159 -17.0159 -17.0159 -17.0159 -6.6763 -6.6763 -6.5983 -6.5983 -6.3818 -6.3818 -6.1533 -6.1533 -5.8740 -5.8740 -5.6279 -5.6279 -5.2538 -5.2538 -5.1071 -5.1071 -4.9986 -4.9986 -4.9929 -4.9929 -4.3516 -4.3516 -4.2959 -4.2959 -4.2260 -4.2260 -4.1601 -4.1601 3.0521 3.0521 3.0758 3.0758 3.2428 3.2428 3.3246 3.3246 3.3402 3.3402 3.4933 3.4933 5.7183 5.7183 6.2900 6.2900 6.6624 6.6624 6.6695 6.6695 7.1751 7.1751 k = 0.3333 0.5774 0.1007 ( 25623 PWs) bands (ev): -17.8454 -17.8454 -17.8084 -17.8084 -17.0159 -17.0159 -17.0159 -17.0159 -6.6748 -6.6748 -6.5978 -6.5978 -6.3825 -6.3825 -6.1558 -6.1558 -5.8715 -5.8715 -5.6269 -5.6269 -5.2520 -5.2520 -5.1056 -5.1056 -5.0005 -5.0005 -4.9989 -4.9989 -4.3505 -4.3505 -4.2961 -4.2961 -4.2256 -4.2256 -4.1598 -4.1598 3.0520 3.0520 3.0752 3.0752 3.2473 3.2473 3.3180 3.3180 3.3330 3.3330 3.4883 3.4883 5.7495 5.7495 6.3111 6.3111 6.6863 6.6863 6.6941 6.6941 7.1922 7.1922 k = 0.3333 0.5774 0.1209 ( 25617 PWs) bands (ev): -17.8446 -17.8446 -17.8093 -17.8093 -17.0159 -17.0159 -17.0159 -17.0159 -6.6731 -6.6731 -6.5973 -6.5973 -6.3833 -6.3833 -6.1586 -6.1586 -5.8686 -5.8686 -5.6257 -5.6257 -5.2498 -5.2498 -5.1039 -5.1039 -5.0058 -5.0058 -5.0027 -5.0027 -4.3493 -4.3493 -4.2963 -4.2963 -4.2252 -4.2252 -4.1596 -4.1596 3.0519 3.0519 3.0744 3.0744 3.2525 3.2525 3.3106 3.3106 3.3247 3.3247 3.4824 3.4824 5.7873 5.7873 6.3365 6.3365 6.7146 6.7146 6.7232 6.7232 7.2130 7.2130 k = 0.3333 0.5774 0.1410 ( 25641 PWs) bands (ev): -17.8436 -17.8436 -17.8102 -17.8102 -17.0159 -17.0159 -17.0159 -17.0159 -6.6712 -6.6712 -6.5966 -6.5966 -6.3841 -6.3841 -6.1617 -6.1617 -5.8654 -5.8654 -5.6243 -5.6243 -5.2471 -5.2471 -5.1019 -5.1019 -5.0137 -5.0137 -5.0053 -5.0053 -4.3479 -4.3479 -4.2964 -4.2964 -4.2247 -4.2247 -4.1593 -4.1593 3.0517 3.0517 3.0735 3.0735 3.2585 3.2585 3.3026 3.3026 3.3158 3.3158 3.4756 3.4756 5.8315 5.8315 6.3661 6.3661 6.7469 6.7469 6.7563 6.7563 7.2374 7.2374 k = 0.3333 0.5774 0.1611 ( 25623 PWs) bands (ev): -17.8425 -17.8425 -17.8113 -17.8113 -17.0159 -17.0159 -17.0159 -17.0159 -6.6693 -6.6693 -6.5957 -6.5957 -6.3851 -6.3851 -6.1649 -6.1649 -5.8621 -5.8621 -5.6229 -5.6229 -5.2441 -5.2441 -5.0996 -5.0996 -5.0223 -5.0223 -5.0082 -5.0082 -4.3465 -4.3465 -4.2966 -4.2966 -4.2242 -4.2242 -4.1590 -4.1590 3.0515 3.0515 3.0724 3.0724 3.2647 3.2647 3.2947 3.2947 3.3064 3.3064 3.4679 3.4679 5.8821 5.8821 6.3995 6.3995 6.7826 6.7826 6.7929 6.7929 7.2651 7.2651 k = 0.3333 0.5774 0.1813 ( 25632 PWs) bands (ev): -17.8414 -17.8414 -17.8125 -17.8125 -17.0159 -17.0159 -17.0159 -17.0159 -6.6674 -6.6674 -6.5948 -6.5948 -6.3860 -6.3860 -6.1683 -6.1683 -5.8587 -5.8587 -5.6214 -5.6214 -5.2407 -5.2407 -5.0971 -5.0971 -5.0315 -5.0315 -5.0113 -5.0113 -4.3451 -4.3451 -4.2968 -4.2968 -4.2237 -4.2237 -4.1587 -4.1587 3.0512 3.0512 3.0711 3.0711 3.2702 3.2702 3.2884 3.2884 3.2968 3.2968 3.4596 3.4596 5.9386 5.9386 6.4364 6.4364 6.8212 6.8212 6.8324 6.8324 7.2957 7.2957 k = 0.3333 0.5774 0.2014 ( 25632 PWs) bands (ev): -17.8400 -17.8400 -17.8138 -17.8138 -17.0159 -17.0159 -17.0159 -17.0159 -6.6656 -6.6656 -6.5937 -6.5937 -6.3870 -6.3870 -6.1716 -6.1716 -5.8553 -5.8553 -5.6199 -5.6199 -5.2370 -5.2370 -5.0944 -5.0944 -5.0410 -5.0410 -5.0146 -5.0146 -4.3437 -4.3437 -4.2970 -4.2970 -4.2232 -4.2232 -4.1584 -4.1584 3.0508 3.0508 3.0697 3.0697 3.2704 3.2704 3.2875 3.2875 3.2881 3.2881 3.4506 3.4506 6.0007 6.0007 6.4763 6.4763 6.8623 6.8623 6.8745 6.8745 7.3283 7.3283 k = 0.3333 0.5774 0.2216 ( 25611 PWs) bands (ev): -17.8386 -17.8386 -17.8153 -17.8153 -17.0159 -17.0159 -17.0159 -17.0159 -6.6639 -6.6639 -6.5925 -6.5925 -6.3879 -6.3879 -6.1749 -6.1749 -5.8521 -5.8521 -5.6185 -5.6185 -5.2330 -5.2330 -5.0916 -5.0916 -5.0506 -5.0506 -5.0180 -5.0180 -4.3424 -4.3424 -4.2972 -4.2972 -4.2227 -4.2227 -4.1581 -4.1581 3.0504 3.0504 3.0682 3.0682 3.2650 3.2650 3.2786 3.2786 3.2944 3.2944 3.4411 3.4411 6.0681 6.0681 6.5185 6.5185 6.9056 6.9056 6.9186 6.9186 7.3617 7.3617 k = 0.3333 0.5774 0.2417 ( 25635 PWs) bands (ev): -17.8372 -17.8372 -17.8168 -17.8168 -17.0159 -17.0159 -17.0159 -17.0159 -6.6623 -6.6623 -6.5913 -6.5913 -6.3887 -6.3887 -6.1779 -6.1779 -5.8490 -5.8490 -5.6172 -5.6172 -5.2288 -5.2288 -5.0887 -5.0887 -5.0600 -5.0600 -5.0215 -5.0215 -4.3411 -4.3411 -4.2973 -4.2973 -4.2222 -4.2222 -4.1578 -4.1578 3.0499 3.0499 3.0667 3.0667 3.2586 3.2586 3.2704 3.2704 3.3029 3.3029 3.4312 3.4312 6.1402 6.1402 6.5621 6.5621 6.9505 6.9505 6.9643 6.9643 7.3218 7.3218 k = 0.3333 0.5774 0.2618 ( 25653 PWs) bands (ev): -17.8356 -17.8356 -17.8184 -17.8184 -17.0159 -17.0159 -17.0159 -17.0159 -6.6610 -6.6610 -6.5902 -6.5902 -6.3895 -6.3895 -6.1806 -6.1806 -5.8463 -5.8463 -5.6160 -5.6160 -5.2245 -5.2245 -5.0857 -5.0857 -5.0690 -5.0690 -5.0250 -5.0250 -4.3400 -4.3400 -4.2975 -4.2975 -4.2218 -4.2218 -4.1575 -4.1575 3.0494 3.0494 3.0652 3.0652 3.2526 3.2526 3.2632 3.2632 3.3124 3.3124 3.4209 3.4209 6.2164 6.2164 6.6053 6.6053 6.9967 6.9967 7.0113 7.0113 7.2416 7.2416 k = 0.3333 0.5774 0.2820 ( 25668 PWs) bands (ev): -17.8340 -17.8340 -17.8200 -17.8200 -17.0159 -17.0159 -17.0159 -17.0159 -6.6599 -6.6599 -6.5891 -6.5891 -6.3902 -6.3902 -6.1830 -6.1830 -5.8440 -5.8440 -5.6149 -5.6149 -5.2204 -5.2204 -5.0829 -5.0829 -5.0771 -5.0771 -5.0282 -5.0282 -4.3391 -4.3391 -4.2976 -4.2976 -4.2214 -4.2214 -4.1573 -4.1573 3.0489 3.0489 3.0638 3.0638 3.2475 3.2475 3.2570 3.2570 3.3223 3.3223 3.4104 3.4104 6.2959 6.2959 6.6449 6.6449 7.0440 7.0440 7.0593 7.0593 7.1647 7.1647 k = 0.3333 0.5774 0.3021 ( 25656 PWs) bands (ev): -17.8323 -17.8323 -17.8217 -17.8217 -17.0159 -17.0159 -17.0159 -17.0159 -6.6591 -6.6591 -6.5881 -6.5881 -6.3907 -6.3907 -6.1849 -6.1849 -5.8421 -5.8421 -5.6141 -5.6141 -5.2167 -5.2167 -5.0842 -5.0842 -5.0803 -5.0803 -5.0311 -5.0311 -4.3384 -4.3384 -4.2977 -4.2977 -4.2211 -4.2211 -4.1571 -4.1571 3.0484 3.0484 3.0626 3.0626 3.2434 3.2434 3.2521 3.2521 3.3325 3.3325 3.3997 3.3997 6.3774 6.3774 6.6750 6.6750 7.0917 7.0917 7.0977 7.0977 7.1078 7.1078 k = 0.3333 0.5774 0.3223 ( 25683 PWs) bands (ev): -17.8305 -17.8305 -17.8234 -17.8234 -17.0159 -17.0159 -17.0159 -17.0159 -6.6585 -6.6585 -6.5874 -6.5874 -6.3911 -6.3911 -6.1863 -6.1863 -5.8407 -5.8407 -5.6135 -5.6135 -5.2137 -5.2137 -5.0896 -5.0896 -5.0782 -5.0782 -5.0335 -5.0335 -4.3379 -4.3379 -4.2977 -4.2977 -4.2209 -4.2209 -4.1570 -4.1570 3.0481 3.0481 3.0616 3.0616 3.2404 3.2404 3.2485 3.2485 3.3428 3.3428 3.3891 3.3891 6.4591 6.4591 6.6844 6.6844 7.0525 7.0525 7.1390 7.1390 7.1534 7.1534 k = 0.3333 0.5774 0.3424 ( 25683 PWs) bands (ev): -17.8288 -17.8288 -17.8252 -17.8252 -17.0159 -17.0159 -17.0159 -17.0159 -6.6581 -6.6581 -6.5870 -6.5870 -6.3914 -6.3914 -6.1872 -6.1872 -5.8399 -5.8399 -5.6131 -5.6131 -5.2117 -5.2117 -5.0931 -5.0931 -5.0768 -5.0768 -5.0351 -5.0351 -4.3375 -4.3375 -4.2978 -4.2978 -4.2208 -4.2208 -4.1569 -4.1569 3.0479 3.0479 3.0610 3.0610 3.2386 3.2386 3.2464 3.2464 3.3527 3.3527 3.3790 3.3790 6.5382 6.5382 6.6619 6.6619 7.0405 7.0405 7.1025 7.1025 7.1825 7.1825 k = 0.3333 0.5774 0.3626 ( 25674 PWs) bands (ev): -17.8270 -17.8270 -17.8270 -17.8270 -17.0159 -17.0159 -17.0159 -17.0159 -6.6580 -6.6580 -6.5868 -6.5868 -6.3914 -6.3914 -6.1875 -6.1875 -5.8396 -5.8396 -5.6130 -5.6130 -5.2110 -5.2110 -5.0943 -5.0943 -5.0763 -5.0763 -5.0356 -5.0356 -4.3374 -4.3374 -4.2978 -4.2978 -4.2207 -4.2207 -4.1569 -4.1569 3.0478 3.0478 3.0608 3.0608 3.2380 3.2380 3.2456 3.2456 3.3586 3.3586 3.3730 3.3730 6.6067 6.6067 6.6115 6.6115 7.0560 7.0560 7.0666 7.0666 7.2059 7.2059 Writing output data file Cs2S.save init_run : 0.66s CPU 0.78s WALL ( 1 calls) electrons : 648.07s CPU 659.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 648.06s CPU 659.29s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.39s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.26s WALL ( 221 calls) cegterg : 609.62s CPU 614.05s WALL ( 613 calls) Called by sum_band: Called by *egterg: h_psi : 370.90s CPU 374.80s WALL ( 10984 calls) s_psi : 16.20s CPU 16.37s WALL ( 10984 calls) g_psi : 0.74s CPU 0.78s WALL ( 10150 calls) cdiaghg : 145.58s CPU 145.86s WALL ( 10371 calls) cegterg:over : 55.36s CPU 55.65s WALL ( 10150 calls) cegterg:upda : 23.71s CPU 23.87s WALL ( 10150 calls) cegterg:last : 11.76s CPU 11.72s WALL ( 1304 calls) cdiaghg:chol : 6.01s CPU 5.97s WALL ( 10371 calls) cdiaghg:inve : 3.33s CPU 3.27s WALL ( 10371 calls) cdiaghg:para : 8.55s CPU 8.55s WALL ( 20742 calls) Called by h_psi: h_psi:vloc : 310.26s CPU 314.03s WALL ( 10984 calls) h_psi:vnl : 59.82s CPU 59.90s WALL ( 10984 calls) add_vuspsi : 34.56s CPU 34.40s WALL ( 10984 calls) General routines calbec : 25.21s CPU 25.46s WALL ( 10984 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 297.83s CPU 301.84s WALL ( 863520 calls) davcio : 0.29s CPU 6.48s WALL ( 442 calls) Parallel routines fft_scatter : 158.02s CPU 160.38s WALL ( 863535 calls) PWSCF : 11m47.90s CPU 12m12.94s WALL This run was terminated on: 14:56:54 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=