Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiS.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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 23 7 1093 1093 173 Max 24 24 8 1106 1106 180 Sum 847 847 253 39627 39627 6277 bravais-lattice index = 14 lattice parameter (alat) = 6.2361 a.u. unit-cell volume = 409.8650 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 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)= 6.236096 celldm(2)= 1.000000 celldm(3)= 1.951515 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 1.951515 ) 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 0.512422 ) 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ti 12.00 47.86700 Ti( 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 ) ( -0.9757576 ) 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 ) ( 0.9757576 ) 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 ) ( -0.9757576 ) 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 ) ( -0.9757576 ) 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 ) ( 0.9757576 ) 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 ) ( 0.9757576 ) 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 ) ( 0.9757576 ) 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 ) ( -0.9757576 ) 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 ) ( 0.9757576 ) 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 ) ( 0.9757576 ) 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 ) ( -0.9757576 ) 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 ) ( -0.9757576 ) 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= 386 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0090909 0.0052486 -0.0000000), wk = 0.0025907 k( 3) = ( 0.0181818 0.0104973 -0.0000000), wk = 0.0025907 k( 4) = ( 0.0272727 0.0157459 -0.0000000), wk = 0.0025907 k( 5) = ( 0.0363636 0.0209946 -0.0000000), wk = 0.0025907 k( 6) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0025907 k( 7) = ( 0.0545455 0.0314918 -0.0000000), wk = 0.0025907 k( 8) = ( 0.0636364 0.0367405 -0.0000000), wk = 0.0025907 k( 9) = ( 0.0727273 0.0419891 -0.0000000), wk = 0.0025907 k( 10) = ( 0.0818182 0.0472377 -0.0000000), wk = 0.0025907 k( 11) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0025907 k( 12) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0025907 k( 13) = ( 0.1090909 0.0629837 -0.0000000), wk = 0.0025907 k( 14) = ( 0.1181818 0.0682323 -0.0000000), wk = 0.0025907 k( 15) = ( 0.1272727 0.0734809 -0.0000000), wk = 0.0025907 k( 16) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0025907 k( 17) = ( 0.1454545 0.0839782 -0.0000000), wk = 0.0025907 k( 18) = ( 0.1545455 0.0892269 -0.0000000), wk = 0.0025907 k( 19) = ( 0.1636364 0.0944755 -0.0000000), wk = 0.0025907 k( 20) = ( 0.1727273 0.0997241 -0.0000000), wk = 0.0025907 k( 21) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0025907 k( 22) = ( 0.1909091 0.1102214 -0.0000000), wk = 0.0025907 k( 23) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0025907 k( 24) = ( 0.2090909 0.1207187 -0.0000000), wk = 0.0025907 k( 25) = ( 0.2181818 0.1259673 -0.0000000), wk = 0.0025907 k( 26) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0025907 k( 27) = ( 0.2363636 0.1364646 -0.0000000), wk = 0.0025907 k( 28) = ( 0.2454545 0.1417133 -0.0000000), wk = 0.0025907 k( 29) = ( 0.2545455 0.1469619 -0.0000000), wk = 0.0025907 k( 30) = ( 0.2636364 0.1522105 -0.0000000), wk = 0.0025907 k( 31) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0025907 k( 32) = ( 0.2818182 0.1627078 -0.0000000), wk = 0.0025907 k( 33) = ( 0.2909091 0.1679564 -0.0000000), wk = 0.0025907 k( 34) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0025907 k( 35) = ( 0.3090909 0.1784537 -0.0000000), wk = 0.0025907 k( 36) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0025907 k( 37) = ( 0.3272727 0.1889510 -0.0000000), wk = 0.0025907 k( 38) = ( 0.3363636 0.1941996 -0.0000000), wk = 0.0025907 k( 39) = ( 0.3454546 0.1994483 -0.0000000), wk = 0.0025907 k( 40) = ( 0.3545454 0.2046969 -0.0000000), wk = 0.0025907 k( 41) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0025907 k( 42) = ( 0.3727273 0.2151942 -0.0000000), wk = 0.0025907 k( 43) = ( 0.3818182 0.2204428 -0.0000000), wk = 0.0025907 k( 44) = ( 0.3909091 0.2256915 -0.0000000), wk = 0.0025907 k( 45) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0025907 k( 46) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0025907 k( 47) = ( 0.4181818 0.2414374 -0.0000000), wk = 0.0025907 k( 48) = ( 0.4272727 0.2466860 -0.0000000), wk = 0.0025907 k( 49) = ( 0.4363636 0.2519347 -0.0000000), wk = 0.0025907 k( 50) = ( 0.4454546 0.2571833 -0.0000000), wk = 0.0025907 k( 51) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0025907 k( 52) = ( 0.4636364 0.2676806 -0.0000000), wk = 0.0025907 k( 53) = ( 0.4727273 0.2729292 -0.0000000), wk = 0.0025907 k( 54) = ( 0.4818182 0.2781779 -0.0000000), wk = 0.0025907 k( 55) = ( 0.4909091 0.2834265 -0.0000000), wk = 0.0025907 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025907 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025907 k( 58) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0025907 k( 59) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0025907 k( 60) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0025907 k( 61) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0025907 k( 62) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0025907 k( 63) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0025907 k( 64) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0025907 k( 65) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0025907 k( 66) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0025907 k( 67) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0025907 k( 68) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0025907 k( 69) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0025907 k( 70) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0025907 k( 71) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0025907 k( 72) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0025907 k( 73) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0025907 k( 74) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0025907 k( 75) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0025907 k( 76) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0025907 k( 77) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0025907 k( 78) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0025907 k( 79) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0025907 k( 80) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0025907 k( 81) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0025907 k( 82) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0025907 k( 83) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0025907 k( 84) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0025907 k( 85) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0025907 k( 86) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0025907 k( 87) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0025907 k( 88) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0025907 k( 89) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025907 k( 90) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025907 k( 91) = ( 0.3281250 0.5683292 -0.0000000), wk = 0.0025907 k( 92) = ( 0.3229167 0.5593081 -0.0000000), wk = 0.0025907 k( 93) = ( 0.3177083 0.5502870 -0.0000000), wk = 0.0025907 k( 94) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0025907 k( 95) = ( 0.3072917 0.5322448 -0.0000000), wk = 0.0025907 k( 96) = ( 0.3020833 0.5232237 -0.0000000), wk = 0.0025907 k( 97) = ( 0.2968750 0.5142026 -0.0000000), wk = 0.0025907 k( 98) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0025907 k( 99) = ( 0.2864583 0.4961604 -0.0000000), wk = 0.0025907 k( 100) = ( 0.2812500 0.4871393 -0.0000000), wk = 0.0025907 k( 101) = ( 0.2760417 0.4781182 -0.0000000), wk = 0.0025907 k( 102) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0025907 k( 103) = ( 0.2656250 0.4600760 -0.0000000), wk = 0.0025907 k( 104) = ( 0.2604167 0.4510549 -0.0000000), wk = 0.0025907 k( 105) = ( 0.2552083 0.4420338 -0.0000000), wk = 0.0025907 k( 106) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0025907 k( 107) = ( 0.2447917 0.4239916 -0.0000000), wk = 0.0025907 k( 108) = ( 0.2395833 0.4149705 -0.0000000), wk = 0.0025907 k( 109) = ( 0.2343750 0.4059494 -0.0000000), wk = 0.0025907 k( 110) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0025907 k( 111) = ( 0.2239583 0.3879072 -0.0000000), wk = 0.0025907 k( 112) = ( 0.2187500 0.3788861 -0.0000000), wk = 0.0025907 k( 113) = ( 0.2135417 0.3698650 -0.0000000), wk = 0.0025907 k( 114) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0025907 k( 115) = ( 0.2031250 0.3518228 -0.0000000), wk = 0.0025907 k( 116) = ( 0.1979167 0.3428017 -0.0000000), wk = 0.0025907 k( 117) = ( 0.1927083 0.3337806 -0.0000000), wk = 0.0025907 k( 118) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0025907 k( 119) = ( 0.1822917 0.3157384 -0.0000000), wk = 0.0025907 k( 120) = ( 0.1770833 0.3067173 -0.0000000), wk = 0.0025907 k( 121) = ( 0.1718750 0.2976962 -0.0000000), wk = 0.0025907 k( 122) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0025907 k( 123) = ( 0.1614583 0.2796540 -0.0000000), wk = 0.0025907 k( 124) = ( 0.1562500 0.2706329 -0.0000000), wk = 0.0025907 k( 125) = ( 0.1510417 0.2616118 -0.0000000), wk = 0.0025907 k( 126) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0025907 k( 127) = ( 0.1406250 0.2435696 -0.0000000), wk = 0.0025907 k( 128) = ( 0.1354167 0.2345486 -0.0000000), wk = 0.0025907 k( 129) = ( 0.1302083 0.2255274 -0.0000000), wk = 0.0025907 k( 130) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0025907 k( 131) = ( 0.1197917 0.2074853 -0.0000000), wk = 0.0025907 k( 132) = ( 0.1145833 0.1984641 -0.0000000), wk = 0.0025907 k( 133) = ( 0.1093750 0.1894431 -0.0000000), wk = 0.0025907 k( 134) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0025907 k( 135) = ( 0.0989583 0.1714009 -0.0000000), wk = 0.0025907 k( 136) = ( 0.0937500 0.1623798 -0.0000000), wk = 0.0025907 k( 137) = ( 0.0885417 0.1533587 -0.0000000), wk = 0.0025907 k( 138) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0025907 k( 139) = ( 0.0781250 0.1353165 -0.0000000), wk = 0.0025907 k( 140) = ( 0.0729167 0.1262954 -0.0000000), wk = 0.0025907 k( 141) = ( 0.0677083 0.1172743 -0.0000000), wk = 0.0025907 k( 142) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0025907 k( 143) = ( 0.0572917 0.0992321 -0.0000000), wk = 0.0025907 k( 144) = ( 0.0520833 0.0902110 -0.0000000), wk = 0.0025907 k( 145) = ( 0.0468750 0.0811899 -0.0000000), wk = 0.0025907 k( 146) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0025907 k( 147) = ( 0.0364583 0.0631477 -0.0000000), wk = 0.0025907 k( 148) = ( 0.0312500 0.0541266 -0.0000000), wk = 0.0025907 k( 149) = ( 0.0260417 0.0451055 -0.0000000), wk = 0.0025907 k( 150) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0025907 k( 151) = ( 0.0156250 0.0270633 -0.0000000), wk = 0.0025907 k( 152) = ( 0.0104167 0.0180422 -0.0000000), wk = 0.0025907 k( 153) = ( 0.0052083 0.0090211 -0.0000000), wk = 0.0025907 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 156) = ( 0.0000000 0.0000000 0.0102484), wk = 0.0025907 k( 157) = ( 0.0000000 0.0000000 0.0204969), wk = 0.0025907 k( 158) = ( 0.0000000 0.0000000 0.0307453), wk = 0.0025907 k( 159) = ( 0.0000000 0.0000000 0.0409938), wk = 0.0025907 k( 160) = ( 0.0000000 0.0000000 0.0512422), wk = 0.0025907 k( 161) = ( 0.0000000 0.0000000 0.0614907), wk = 0.0025907 k( 162) = ( 0.0000000 0.0000000 0.0717391), wk = 0.0025907 k( 163) = ( 0.0000000 0.0000000 0.0819876), wk = 0.0025907 k( 164) = ( 0.0000000 0.0000000 0.0922360), wk = 0.0025907 k( 165) = ( 0.0000000 0.0000000 0.1024845), wk = 0.0025907 k( 166) = ( 0.0000000 0.0000000 0.1127329), wk = 0.0025907 k( 167) = ( 0.0000000 0.0000000 0.1229814), wk = 0.0025907 k( 168) = ( 0.0000000 0.0000000 0.1332298), wk = 0.0025907 k( 169) = ( 0.0000000 0.0000000 0.1434783), wk = 0.0025907 k( 170) = ( 0.0000000 0.0000000 0.1537267), wk = 0.0025907 k( 171) = ( 0.0000000 0.0000000 0.1639752), wk = 0.0025907 k( 172) = ( 0.0000000 0.0000000 0.1742236), wk = 0.0025907 k( 173) = ( 0.0000000 0.0000000 0.1844720), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.1947205), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.2049689), wk = 0.0025907 k( 176) = ( 0.0000000 0.0000000 0.2152174), wk = 0.0025907 k( 177) = ( 0.0000000 0.0000000 0.2254658), wk = 0.0025907 k( 178) = ( 0.0000000 0.0000000 0.2357143), wk = 0.0025907 k( 179) = ( 0.0000000 0.0000000 0.2459627), wk = 0.0025907 k( 180) = ( 0.0000000 0.0000000 0.2562112), wk = 0.0025907 k( 181) = ( 0.0000000 0.0000000 0.2562112), wk = 0.0025907 k( 182) = ( 0.0090909 0.0052486 0.2562112), wk = 0.0025907 k( 183) = ( 0.0181818 0.0104973 0.2562112), wk = 0.0025907 k( 184) = ( 0.0272727 0.0157459 0.2562112), wk = 0.0025907 k( 185) = ( 0.0363636 0.0209946 0.2562112), wk = 0.0025907 k( 186) = ( 0.0454546 0.0262432 0.2562112), wk = 0.0025907 k( 187) = ( 0.0545455 0.0314918 0.2562112), wk = 0.0025907 k( 188) = ( 0.0636364 0.0367405 0.2562112), wk = 0.0025907 k( 189) = ( 0.0727273 0.0419891 0.2562112), wk = 0.0025907 k( 190) = ( 0.0818182 0.0472377 0.2562112), wk = 0.0025907 k( 191) = ( 0.0909091 0.0524864 0.2562112), wk = 0.0025907 k( 192) = ( 0.1000000 0.0577350 0.2562112), wk = 0.0025907 k( 193) = ( 0.1090909 0.0629837 0.2562112), wk = 0.0025907 k( 194) = ( 0.1181818 0.0682323 0.2562112), wk = 0.0025907 k( 195) = ( 0.1272727 0.0734809 0.2562112), wk = 0.0025907 k( 196) = ( 0.1363636 0.0787296 0.2562112), wk = 0.0025907 k( 197) = ( 0.1454545 0.0839782 0.2562112), wk = 0.0025907 k( 198) = ( 0.1545455 0.0892269 0.2562112), wk = 0.0025907 k( 199) = ( 0.1636364 0.0944755 0.2562112), wk = 0.0025907 k( 200) = ( 0.1727273 0.0997241 0.2562112), wk = 0.0025907 k( 201) = ( 0.1818182 0.1049728 0.2562112), wk = 0.0025907 k( 202) = ( 0.1909091 0.1102214 0.2562112), wk = 0.0025907 k( 203) = ( 0.2000000 0.1154701 0.2562112), wk = 0.0025907 k( 204) = ( 0.2090909 0.1207187 0.2562112), wk = 0.0025907 k( 205) = ( 0.2181818 0.1259673 0.2562112), wk = 0.0025907 k( 206) = ( 0.2272727 0.1312160 0.2562112), wk = 0.0025907 k( 207) = ( 0.2363636 0.1364646 0.2562112), wk = 0.0025907 k( 208) = ( 0.2454545 0.1417133 0.2562112), wk = 0.0025907 k( 209) = ( 0.2545455 0.1469619 0.2562112), wk = 0.0025907 k( 210) = ( 0.2636364 0.1522105 0.2562112), wk = 0.0025907 k( 211) = ( 0.2727273 0.1574592 0.2562112), wk = 0.0025907 k( 212) = ( 0.2818182 0.1627078 0.2562112), wk = 0.0025907 k( 213) = ( 0.2909091 0.1679564 0.2562112), wk = 0.0025907 k( 214) = ( 0.3000000 0.1732051 0.2562112), wk = 0.0025907 k( 215) = ( 0.3090909 0.1784537 0.2562112), wk = 0.0025907 k( 216) = ( 0.3181818 0.1837024 0.2562112), wk = 0.0025907 k( 217) = ( 0.3272727 0.1889510 0.2562112), wk = 0.0025907 k( 218) = ( 0.3363636 0.1941996 0.2562112), wk = 0.0025907 k( 219) = ( 0.3454546 0.1994483 0.2562112), wk = 0.0025907 k( 220) = ( 0.3545454 0.2046969 0.2562112), wk = 0.0025907 k( 221) = ( 0.3636364 0.2099456 0.2562112), wk = 0.0025907 k( 222) = ( 0.3727273 0.2151942 0.2562112), wk = 0.0025907 k( 223) = ( 0.3818182 0.2204428 0.2562112), wk = 0.0025907 k( 224) = ( 0.3909091 0.2256915 0.2562112), wk = 0.0025907 k( 225) = ( 0.4000000 0.2309401 0.2562112), wk = 0.0025907 k( 226) = ( 0.4090909 0.2361887 0.2562112), wk = 0.0025907 k( 227) = ( 0.4181818 0.2414374 0.2562112), wk = 0.0025907 k( 228) = ( 0.4272727 0.2466860 0.2562112), wk = 0.0025907 k( 229) = ( 0.4363636 0.2519347 0.2562112), wk = 0.0025907 k( 230) = ( 0.4454546 0.2571833 0.2562112), wk = 0.0025907 k( 231) = ( 0.4545455 0.2624319 0.2562112), wk = 0.0025907 k( 232) = ( 0.4636364 0.2676806 0.2562112), wk = 0.0025907 k( 233) = ( 0.4727273 0.2729292 0.2562112), wk = 0.0025907 k( 234) = ( 0.4818182 0.2781779 0.2562112), wk = 0.0025907 k( 235) = ( 0.4909091 0.2834265 0.2562112), wk = 0.0025907 k( 236) = ( 0.5000000 0.2886751 0.2562112), wk = 0.0025907 k( 237) = ( 0.5000000 0.2886751 0.2562112), wk = 0.0025907 k( 238) = ( 0.4947917 0.2976962 0.2562112), wk = 0.0025907 k( 239) = ( 0.4895833 0.3067173 0.2562112), wk = 0.0025907 k( 240) = ( 0.4843750 0.3157384 0.2562112), wk = 0.0025907 k( 241) = ( 0.4791667 0.3247595 0.2562112), wk = 0.0025907 k( 242) = ( 0.4739583 0.3337806 0.2562112), wk = 0.0025907 k( 243) = ( 0.4687500 0.3428017 0.2562112), wk = 0.0025907 k( 244) = ( 0.4635417 0.3518228 0.2562112), wk = 0.0025907 k( 245) = ( 0.4583333 0.3608439 0.2562112), wk = 0.0025907 k( 246) = ( 0.4531250 0.3698650 0.2562112), wk = 0.0025907 k( 247) = ( 0.4479167 0.3788861 0.2562112), wk = 0.0025907 k( 248) = ( 0.4427083 0.3879072 0.2562112), wk = 0.0025907 k( 249) = ( 0.4375000 0.3969283 0.2562112), wk = 0.0025907 k( 250) = ( 0.4322917 0.4059494 0.2562112), wk = 0.0025907 k( 251) = ( 0.4270833 0.4149705 0.2562112), wk = 0.0025907 k( 252) = ( 0.4218750 0.4239916 0.2562112), wk = 0.0025907 k( 253) = ( 0.4166667 0.4330127 0.2562112), wk = 0.0025907 k( 254) = ( 0.4114583 0.4420338 0.2562112), wk = 0.0025907 k( 255) = ( 0.4062500 0.4510549 0.2562112), wk = 0.0025907 k( 256) = ( 0.4010417 0.4600760 0.2562112), wk = 0.0025907 k( 257) = ( 0.3958333 0.4690971 0.2562112), wk = 0.0025907 k( 258) = ( 0.3906250 0.4781182 0.2562112), wk = 0.0025907 k( 259) = ( 0.3854167 0.4871393 0.2562112), wk = 0.0025907 k( 260) = ( 0.3802083 0.4961604 0.2562112), wk = 0.0025907 k( 261) = ( 0.3750000 0.5051815 0.2562112), wk = 0.0025907 k( 262) = ( 0.3697917 0.5142026 0.2562112), wk = 0.0025907 k( 263) = ( 0.3645833 0.5232237 0.2562112), wk = 0.0025907 k( 264) = ( 0.3593750 0.5322448 0.2562112), wk = 0.0025907 k( 265) = ( 0.3541667 0.5412659 0.2562112), wk = 0.0025907 k( 266) = ( 0.3489583 0.5502870 0.2562112), wk = 0.0025907 k( 267) = ( 0.3437500 0.5593081 0.2562112), wk = 0.0025907 k( 268) = ( 0.3385417 0.5683292 0.2562112), wk = 0.0025907 k( 269) = ( 0.3333333 0.5773503 0.2562112), wk = 0.0025907 k( 270) = ( 0.3333333 0.5773503 0.2562112), wk = 0.0025907 k( 271) = ( 0.3281250 0.5683292 0.2562112), wk = 0.0025907 k( 272) = ( 0.3229167 0.5593081 0.2562112), wk = 0.0025907 k( 273) = ( 0.3177083 0.5502870 0.2562112), wk = 0.0025907 k( 274) = ( 0.3125000 0.5412659 0.2562112), wk = 0.0025907 k( 275) = ( 0.3072917 0.5322448 0.2562112), wk = 0.0025907 k( 276) = ( 0.3020833 0.5232237 0.2562112), wk = 0.0025907 k( 277) = ( 0.2968750 0.5142026 0.2562112), wk = 0.0025907 k( 278) = ( 0.2916667 0.5051815 0.2562112), wk = 0.0025907 k( 279) = ( 0.2864583 0.4961604 0.2562112), wk = 0.0025907 k( 280) = ( 0.2812500 0.4871393 0.2562112), wk = 0.0025907 k( 281) = ( 0.2760417 0.4781182 0.2562112), wk = 0.0025907 k( 282) = ( 0.2708333 0.4690971 0.2562112), wk = 0.0025907 k( 283) = ( 0.2656250 0.4600760 0.2562112), wk = 0.0025907 k( 284) = ( 0.2604167 0.4510549 0.2562112), wk = 0.0025907 k( 285) = ( 0.2552083 0.4420338 0.2562112), wk = 0.0025907 k( 286) = ( 0.2500000 0.4330127 0.2562112), wk = 0.0025907 k( 287) = ( 0.2447917 0.4239916 0.2562112), wk = 0.0025907 k( 288) = ( 0.2395833 0.4149705 0.2562112), wk = 0.0025907 k( 289) = ( 0.2343750 0.4059494 0.2562112), wk = 0.0025907 k( 290) = ( 0.2291667 0.3969283 0.2562112), wk = 0.0025907 k( 291) = ( 0.2239583 0.3879072 0.2562112), wk = 0.0025907 k( 292) = ( 0.2187500 0.3788861 0.2562112), wk = 0.0025907 k( 293) = ( 0.2135417 0.3698650 0.2562112), wk = 0.0025907 k( 294) = ( 0.2083333 0.3608439 0.2562112), wk = 0.0025907 k( 295) = ( 0.2031250 0.3518228 0.2562112), wk = 0.0025907 k( 296) = ( 0.1979167 0.3428017 0.2562112), wk = 0.0025907 k( 297) = ( 0.1927083 0.3337806 0.2562112), wk = 0.0025907 k( 298) = ( 0.1875000 0.3247595 0.2562112), wk = 0.0025907 k( 299) = ( 0.1822917 0.3157384 0.2562112), wk = 0.0025907 k( 300) = ( 0.1770833 0.3067173 0.2562112), wk = 0.0025907 k( 301) = ( 0.1718750 0.2976962 0.2562112), wk = 0.0025907 k( 302) = ( 0.1666667 0.2886751 0.2562112), wk = 0.0025907 k( 303) = ( 0.1614583 0.2796540 0.2562112), wk = 0.0025907 k( 304) = ( 0.1562500 0.2706329 0.2562112), wk = 0.0025907 k( 305) = ( 0.1510417 0.2616118 0.2562112), wk = 0.0025907 k( 306) = ( 0.1458333 0.2525907 0.2562112), wk = 0.0025907 k( 307) = ( 0.1406250 0.2435696 0.2562112), wk = 0.0025907 k( 308) = ( 0.1354167 0.2345486 0.2562112), wk = 0.0025907 k( 309) = ( 0.1302083 0.2255274 0.2562112), wk = 0.0025907 k( 310) = ( 0.1250000 0.2165064 0.2562112), wk = 0.0025907 k( 311) = ( 0.1197917 0.2074853 0.2562112), wk = 0.0025907 k( 312) = ( 0.1145833 0.1984641 0.2562112), wk = 0.0025907 k( 313) = ( 0.1093750 0.1894431 0.2562112), wk = 0.0025907 k( 314) = ( 0.1041667 0.1804220 0.2562112), wk = 0.0025907 k( 315) = ( 0.0989583 0.1714009 0.2562112), wk = 0.0025907 k( 316) = ( 0.0937500 0.1623798 0.2562112), wk = 0.0025907 k( 317) = ( 0.0885417 0.1533587 0.2562112), wk = 0.0025907 k( 318) = ( 0.0833333 0.1443376 0.2562112), wk = 0.0025907 k( 319) = ( 0.0781250 0.1353165 0.2562112), wk = 0.0025907 k( 320) = ( 0.0729167 0.1262954 0.2562112), wk = 0.0025907 k( 321) = ( 0.0677083 0.1172743 0.2562112), wk = 0.0025907 k( 322) = ( 0.0625000 0.1082532 0.2562112), wk = 0.0025907 k( 323) = ( 0.0572917 0.0992321 0.2562112), wk = 0.0025907 k( 324) = ( 0.0520833 0.0902110 0.2562112), wk = 0.0025907 k( 325) = ( 0.0468750 0.0811899 0.2562112), wk = 0.0025907 k( 326) = ( 0.0416667 0.0721688 0.2562112), wk = 0.0025907 k( 327) = ( 0.0364583 0.0631477 0.2562112), wk = 0.0025907 k( 328) = ( 0.0312500 0.0541266 0.2562112), wk = 0.0025907 k( 329) = ( 0.0260417 0.0451055 0.2562112), wk = 0.0025907 k( 330) = ( 0.0208333 0.0360844 0.2562112), wk = 0.0025907 k( 331) = ( 0.0156250 0.0270633 0.2562112), wk = 0.0025907 k( 332) = ( 0.0104167 0.0180422 0.2562112), wk = 0.0025907 k( 333) = ( 0.0052083 0.0090211 0.2562112), wk = 0.0025907 k( 334) = ( 0.0000000 0.0000000 0.2562112), wk = 0.0025907 k( 335) = ( 0.5000000 0.2886751 0.2562112), wk = 0.0025907 k( 336) = ( 0.5000000 0.2886751 0.2459627), wk = 0.0025907 k( 337) = ( 0.5000000 0.2886751 0.2357143), wk = 0.0025907 k( 338) = ( 0.5000000 0.2886751 0.2254658), wk = 0.0025907 k( 339) = ( 0.5000000 0.2886751 0.2152174), wk = 0.0025907 k( 340) = ( 0.5000000 0.2886751 0.2049689), wk = 0.0025907 k( 341) = ( 0.5000000 0.2886751 0.1947205), wk = 0.0025907 k( 342) = ( 0.5000000 0.2886751 0.1844720), wk = 0.0025907 k( 343) = ( 0.5000000 0.2886751 0.1742236), wk = 0.0025907 k( 344) = ( 0.5000000 0.2886751 0.1639752), wk = 0.0025907 k( 345) = ( 0.5000000 0.2886751 0.1537267), wk = 0.0025907 k( 346) = ( 0.5000000 0.2886751 0.1434783), wk = 0.0025907 k( 347) = ( 0.5000000 0.2886751 0.1332298), wk = 0.0025907 k( 348) = ( 0.5000000 0.2886751 0.1229814), wk = 0.0025907 k( 349) = ( 0.5000000 0.2886751 0.1127329), wk = 0.0025907 k( 350) = ( 0.5000000 0.2886751 0.1024845), wk = 0.0025907 k( 351) = ( 0.5000000 0.2886751 0.0922360), wk = 0.0025907 k( 352) = ( 0.5000000 0.2886751 0.0819876), wk = 0.0025907 k( 353) = ( 0.5000000 0.2886751 0.0717391), wk = 0.0025907 k( 354) = ( 0.5000000 0.2886751 0.0614907), wk = 0.0025907 k( 355) = ( 0.5000000 0.2886751 0.0512422), wk = 0.0025907 k( 356) = ( 0.5000000 0.2886751 0.0409938), wk = 0.0025907 k( 357) = ( 0.5000000 0.2886751 0.0307453), wk = 0.0025907 k( 358) = ( 0.5000000 0.2886751 0.0204969), wk = 0.0025907 k( 359) = ( 0.5000000 0.2886751 0.0102484), wk = 0.0025907 k( 360) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025907 k( 361) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025907 k( 362) = ( 0.3333333 0.5773503 0.0102484), wk = 0.0025907 k( 363) = ( 0.3333333 0.5773503 0.0204969), wk = 0.0025907 k( 364) = ( 0.3333333 0.5773503 0.0307453), wk = 0.0025907 k( 365) = ( 0.3333333 0.5773503 0.0409938), wk = 0.0025907 k( 366) = ( 0.3333333 0.5773503 0.0512422), wk = 0.0025907 k( 367) = ( 0.3333333 0.5773503 0.0614907), wk = 0.0025907 k( 368) = ( 0.3333333 0.5773503 0.0717391), wk = 0.0025907 k( 369) = ( 0.3333333 0.5773503 0.0819876), wk = 0.0025907 k( 370) = ( 0.3333333 0.5773503 0.0922360), wk = 0.0025907 k( 371) = ( 0.3333333 0.5773503 0.1024845), wk = 0.0025907 k( 372) = ( 0.3333333 0.5773503 0.1127329), wk = 0.0025907 k( 373) = ( 0.3333333 0.5773503 0.1229814), wk = 0.0025907 k( 374) = ( 0.3333333 0.5773503 0.1332298), wk = 0.0025907 k( 375) = ( 0.3333333 0.5773503 0.1434783), wk = 0.0025907 k( 376) = ( 0.3333333 0.5773503 0.1537267), wk = 0.0025907 k( 377) = ( 0.3333333 0.5773503 0.1639752), wk = 0.0025907 k( 378) = ( 0.3333333 0.5773503 0.1742236), wk = 0.0025907 k( 379) = ( 0.3333333 0.5773503 0.1844720), wk = 0.0025907 k( 380) = ( 0.3333333 0.5773503 0.1947205), wk = 0.0025907 k( 381) = ( 0.3333333 0.5773503 0.2049689), wk = 0.0025907 k( 382) = ( 0.3333333 0.5773503 0.2152174), wk = 0.0025907 k( 383) = ( 0.3333333 0.5773503 0.2254658), wk = 0.0025907 k( 384) = ( 0.3333333 0.5773503 0.2357143), wk = 0.0025907 k( 385) = ( 0.3333333 0.5773503 0.2459627), wk = 0.0025907 k( 386) = ( 0.3333333 0.5773503 0.2562112), wk = 0.0025907 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0025907 k( 3) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0025907 k( 4) = ( 0.0272727 -0.0000000 0.0000000), wk = 0.0025907 k( 5) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0025907 k( 6) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0025907 k( 7) = ( 0.0545455 0.0000000 0.0000000), wk = 0.0025907 k( 8) = ( 0.0636364 0.0000000 0.0000000), wk = 0.0025907 k( 9) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0025907 k( 10) = ( 0.0818182 -0.0000000 0.0000000), wk = 0.0025907 k( 11) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0025907 k( 12) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0025907 k( 13) = ( 0.1090909 -0.0000000 0.0000000), wk = 0.0025907 k( 14) = ( 0.1181818 -0.0000000 0.0000000), wk = 0.0025907 k( 15) = ( 0.1272727 0.0000000 0.0000000), wk = 0.0025907 k( 16) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0025907 k( 17) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0025907 k( 18) = ( 0.1545455 0.0000000 0.0000000), wk = 0.0025907 k( 19) = ( 0.1636364 -0.0000000 0.0000000), wk = 0.0025907 k( 20) = ( 0.1727273 -0.0000000 -0.0000000), wk = 0.0025907 k( 21) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0025907 k( 22) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0025907 k( 23) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0025907 k( 24) = ( 0.2090909 0.0000000 0.0000000), wk = 0.0025907 k( 25) = ( 0.2181818 -0.0000000 0.0000000), wk = 0.0025907 k( 26) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0025907 k( 27) = ( 0.2363636 -0.0000000 0.0000000), wk = 0.0025907 k( 28) = ( 0.2454545 -0.0000000 0.0000000), wk = 0.0025907 k( 29) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0025907 k( 30) = ( 0.2636364 0.0000000 0.0000000), wk = 0.0025907 k( 31) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0025907 k( 32) = ( 0.2818182 0.0000000 0.0000000), wk = 0.0025907 k( 33) = ( 0.2909091 -0.0000000 0.0000000), wk = 0.0025907 k( 34) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0025907 k( 35) = ( 0.3090909 -0.0000000 0.0000000), wk = 0.0025907 k( 36) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0025907 k( 37) = ( 0.3272727 -0.0000000 0.0000000), wk = 0.0025907 k( 38) = ( 0.3363636 -0.0000000 0.0000000), wk = 0.0025907 k( 39) = ( 0.3454546 0.0000000 0.0000000), wk = 0.0025907 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0025907 k( 41) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0025907 k( 42) = ( 0.3727273 -0.0000000 -0.0000000), wk = 0.0025907 k( 43) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0025907 k( 44) = ( 0.3909091 0.0000000 -0.0000000), wk = 0.0025907 k( 45) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0025907 k( 46) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0025907 k( 47) = ( 0.4181818 0.0000000 0.0000000), wk = 0.0025907 k( 48) = ( 0.4272727 -0.0000000 0.0000000), wk = 0.0025907 k( 49) = ( 0.4363636 -0.0000000 0.0000000), wk = 0.0025907 k( 50) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0025907 k( 51) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0025907 k( 52) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0025907 k( 53) = ( 0.4727273 -0.0000000 -0.0000000), wk = 0.0025907 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0025907 k( 55) = ( 0.4909091 -0.0000000 0.0000000), wk = 0.0025907 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025907 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025907 k( 58) = ( 0.4947917 0.0104167 0.0000000), wk = 0.0025907 k( 59) = ( 0.4895833 0.0208333 0.0000000), wk = 0.0025907 k( 60) = ( 0.4843750 0.0312500 0.0000000), wk = 0.0025907 k( 61) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0025907 k( 62) = ( 0.4739583 0.0520833 0.0000000), wk = 0.0025907 k( 63) = ( 0.4687500 0.0625000 -0.0000000), wk = 0.0025907 k( 64) = ( 0.4635417 0.0729167 0.0000000), wk = 0.0025907 k( 65) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0025907 k( 66) = ( 0.4531250 0.0937500 0.0000000), wk = 0.0025907 k( 67) = ( 0.4479167 0.1041667 0.0000000), wk = 0.0025907 k( 68) = ( 0.4427083 0.1145833 0.0000000), wk = 0.0025907 k( 69) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0025907 k( 70) = ( 0.4322917 0.1354167 0.0000000), wk = 0.0025907 k( 71) = ( 0.4270833 0.1458333 -0.0000000), wk = 0.0025907 k( 72) = ( 0.4218750 0.1562500 0.0000000), wk = 0.0025907 k( 73) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0025907 k( 74) = ( 0.4114583 0.1770833 0.0000000), wk = 0.0025907 k( 75) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0025907 k( 76) = ( 0.4010417 0.1979167 0.0000000), wk = 0.0025907 k( 77) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0025907 k( 78) = ( 0.3906250 0.2187500 -0.0000000), wk = 0.0025907 k( 79) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0025907 k( 80) = ( 0.3802083 0.2395833 -0.0000000), wk = 0.0025907 k( 81) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0025907 k( 82) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0025907 k( 83) = ( 0.3645833 0.2708333 0.0000000), wk = 0.0025907 k( 84) = ( 0.3593750 0.2812500 0.0000000), wk = 0.0025907 k( 85) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0025907 k( 86) = ( 0.3489583 0.3020833 0.0000000), wk = 0.0025907 k( 87) = ( 0.3437500 0.3125000 -0.0000000), wk = 0.0025907 k( 88) = ( 0.3385417 0.3229167 0.0000000), wk = 0.0025907 k( 89) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025907 k( 90) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025907 k( 91) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0025907 k( 92) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0025907 k( 93) = ( 0.3177083 0.3177083 -0.0000000), wk = 0.0025907 k( 94) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0025907 k( 95) = ( 0.3072917 0.3072917 0.0000000), wk = 0.0025907 k( 96) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0025907 k( 97) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0025907 k( 98) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0025907 k( 99) = ( 0.2864583 0.2864583 -0.0000000), wk = 0.0025907 k( 100) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0025907 k( 101) = ( 0.2760417 0.2760417 -0.0000000), wk = 0.0025907 k( 102) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0025907 k( 103) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0025907 k( 104) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0025907 k( 105) = ( 0.2552083 0.2552083 0.0000000), wk = 0.0025907 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025907 k( 107) = ( 0.2447917 0.2447917 0.0000000), wk = 0.0025907 k( 108) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0025907 k( 109) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0025907 k( 110) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0025907 k( 111) = ( 0.2239583 0.2239583 0.0000000), wk = 0.0025907 k( 112) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0025907 k( 113) = ( 0.2135417 0.2135417 0.0000000), wk = 0.0025907 k( 114) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0025907 k( 115) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0025907 k( 116) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0025907 k( 117) = ( 0.1927083 0.1927083 0.0000000), wk = 0.0025907 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0025907 k( 119) = ( 0.1822917 0.1822917 0.0000000), wk = 0.0025907 k( 120) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0025907 k( 121) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0025907 k( 122) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0025907 k( 123) = ( 0.1614583 0.1614583 0.0000000), wk = 0.0025907 k( 124) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0025907 k( 125) = ( 0.1510417 0.1510417 0.0000000), wk = 0.0025907 k( 126) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0025907 k( 127) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0025907 k( 128) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0025907 k( 129) = ( 0.1302083 0.1302083 0.0000000), wk = 0.0025907 k( 130) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025907 k( 131) = ( 0.1197917 0.1197917 -0.0000000), wk = 0.0025907 k( 132) = ( 0.1145833 0.1145833 0.0000000), wk = 0.0025907 k( 133) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0025907 k( 134) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0025907 k( 135) = ( 0.0989583 0.0989583 -0.0000000), wk = 0.0025907 k( 136) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0025907 k( 137) = ( 0.0885417 0.0885417 0.0000000), wk = 0.0025907 k( 138) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0025907 k( 139) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0025907 k( 140) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0025907 k( 141) = ( 0.0677083 0.0677083 0.0000000), wk = 0.0025907 k( 142) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0025907 k( 143) = ( 0.0572917 0.0572917 0.0000000), wk = 0.0025907 k( 144) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0025907 k( 145) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0025907 k( 146) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0025907 k( 147) = ( 0.0364583 0.0364583 0.0000000), wk = 0.0025907 k( 148) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0025907 k( 149) = ( 0.0260417 0.0260417 0.0000000), wk = 0.0025907 k( 150) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0025907 k( 151) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0025907 k( 152) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0025907 k( 153) = ( 0.0052083 0.0052083 0.0000000), wk = 0.0025907 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 156) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0025907 k( 157) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0025907 k( 158) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0025907 k( 159) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0025907 k( 160) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025907 k( 161) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0025907 k( 162) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0025907 k( 163) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0025907 k( 164) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0025907 k( 165) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025907 k( 166) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0025907 k( 167) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0025907 k( 168) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0025907 k( 169) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0025907 k( 170) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025907 k( 171) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0025907 k( 172) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0025907 k( 173) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025907 k( 176) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0025907 k( 177) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0025907 k( 178) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0025907 k( 179) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0025907 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025907 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025907 k( 182) = ( 0.0090909 0.0000000 0.5000000), wk = 0.0025907 k( 183) = ( 0.0181818 0.0000000 0.5000000), wk = 0.0025907 k( 184) = ( 0.0272727 -0.0000000 0.5000000), wk = 0.0025907 k( 185) = ( 0.0363636 0.0000000 0.5000000), wk = 0.0025907 k( 186) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0025907 k( 187) = ( 0.0545455 0.0000000 0.5000000), wk = 0.0025907 k( 188) = ( 0.0636364 0.0000000 0.5000000), wk = 0.0025907 k( 189) = ( 0.0727273 0.0000000 0.5000000), wk = 0.0025907 k( 190) = ( 0.0818182 -0.0000000 0.5000000), wk = 0.0025907 k( 191) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0025907 k( 192) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0025907 k( 193) = ( 0.1090909 -0.0000000 0.5000000), wk = 0.0025907 k( 194) = ( 0.1181818 -0.0000000 0.5000000), wk = 0.0025907 k( 195) = ( 0.1272727 0.0000000 0.5000000), wk = 0.0025907 k( 196) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0025907 k( 197) = ( 0.1454545 0.0000000 0.5000000), wk = 0.0025907 k( 198) = ( 0.1545455 0.0000000 0.5000000), wk = 0.0025907 k( 199) = ( 0.1636364 -0.0000000 0.5000000), wk = 0.0025907 k( 200) = ( 0.1727273 -0.0000000 0.5000000), wk = 0.0025907 k( 201) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0025907 k( 202) = ( 0.1909091 0.0000000 0.5000000), wk = 0.0025907 k( 203) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0025907 k( 204) = ( 0.2090909 0.0000000 0.5000000), wk = 0.0025907 k( 205) = ( 0.2181818 -0.0000000 0.5000000), wk = 0.0025907 k( 206) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0025907 k( 207) = ( 0.2363636 -0.0000000 0.5000000), wk = 0.0025907 k( 208) = ( 0.2454545 -0.0000000 0.5000000), wk = 0.0025907 k( 209) = ( 0.2545455 0.0000000 0.5000000), wk = 0.0025907 k( 210) = ( 0.2636364 0.0000000 0.5000000), wk = 0.0025907 k( 211) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0025907 k( 212) = ( 0.2818182 0.0000000 0.5000000), wk = 0.0025907 k( 213) = ( 0.2909091 -0.0000000 0.5000000), wk = 0.0025907 k( 214) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0025907 k( 215) = ( 0.3090909 -0.0000000 0.5000000), wk = 0.0025907 k( 216) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0025907 k( 217) = ( 0.3272727 -0.0000000 0.5000000), wk = 0.0025907 k( 218) = ( 0.3363636 -0.0000000 0.5000000), wk = 0.0025907 k( 219) = ( 0.3454546 0.0000000 0.5000000), wk = 0.0025907 k( 220) = ( 0.3545454 0.0000000 0.5000000), wk = 0.0025907 k( 221) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0025907 k( 222) = ( 0.3727273 -0.0000000 0.5000000), wk = 0.0025907 k( 223) = ( 0.3818182 0.0000000 0.5000000), wk = 0.0025907 k( 224) = ( 0.3909091 0.0000000 0.5000000), wk = 0.0025907 k( 225) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0025907 k( 226) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0025907 k( 227) = ( 0.4181818 0.0000000 0.5000000), wk = 0.0025907 k( 228) = ( 0.4272727 -0.0000000 0.5000000), wk = 0.0025907 k( 229) = ( 0.4363636 -0.0000000 0.5000000), wk = 0.0025907 k( 230) = ( 0.4454546 0.0000000 0.5000000), wk = 0.0025907 k( 231) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0025907 k( 232) = ( 0.4636364 0.0000000 0.5000000), wk = 0.0025907 k( 233) = ( 0.4727273 -0.0000000 0.5000000), wk = 0.0025907 k( 234) = ( 0.4818182 0.0000000 0.5000000), wk = 0.0025907 k( 235) = ( 0.4909091 -0.0000000 0.5000000), wk = 0.0025907 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 237) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 238) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0025907 k( 239) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0025907 k( 240) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0025907 k( 241) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0025907 k( 242) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0025907 k( 243) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0025907 k( 244) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0025907 k( 245) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0025907 k( 246) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0025907 k( 247) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0025907 k( 248) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0025907 k( 249) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0025907 k( 250) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0025907 k( 251) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0025907 k( 252) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0025907 k( 253) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0025907 k( 254) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0025907 k( 255) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0025907 k( 256) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0025907 k( 257) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0025907 k( 258) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0025907 k( 259) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0025907 k( 260) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0025907 k( 261) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0025907 k( 262) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0025907 k( 263) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0025907 k( 264) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0025907 k( 265) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0025907 k( 266) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0025907 k( 267) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0025907 k( 268) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0025907 k( 269) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025907 k( 270) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025907 k( 271) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0025907 k( 272) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0025907 k( 273) = ( 0.3177083 0.3177083 0.5000000), wk = 0.0025907 k( 274) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0025907 k( 275) = ( 0.3072917 0.3072917 0.5000000), wk = 0.0025907 k( 276) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0025907 k( 277) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0025907 k( 278) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0025907 k( 279) = ( 0.2864583 0.2864583 0.5000000), wk = 0.0025907 k( 280) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0025907 k( 281) = ( 0.2760417 0.2760417 0.5000000), wk = 0.0025907 k( 282) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0025907 k( 283) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0025907 k( 284) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0025907 k( 285) = ( 0.2552083 0.2552083 0.5000000), wk = 0.0025907 k( 286) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025907 k( 287) = ( 0.2447917 0.2447917 0.5000000), wk = 0.0025907 k( 288) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0025907 k( 289) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0025907 k( 290) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0025907 k( 291) = ( 0.2239583 0.2239583 0.5000000), wk = 0.0025907 k( 292) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0025907 k( 293) = ( 0.2135417 0.2135417 0.5000000), wk = 0.0025907 k( 294) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0025907 k( 295) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0025907 k( 296) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0025907 k( 297) = ( 0.1927083 0.1927083 0.5000000), wk = 0.0025907 k( 298) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0025907 k( 299) = ( 0.1822917 0.1822917 0.5000000), wk = 0.0025907 k( 300) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0025907 k( 301) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0025907 k( 302) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025907 k( 303) = ( 0.1614583 0.1614583 0.5000000), wk = 0.0025907 k( 304) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0025907 k( 305) = ( 0.1510417 0.1510417 0.5000000), wk = 0.0025907 k( 306) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0025907 k( 307) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0025907 k( 308) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0025907 k( 309) = ( 0.1302083 0.1302083 0.5000000), wk = 0.0025907 k( 310) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0025907 k( 311) = ( 0.1197917 0.1197917 0.5000000), wk = 0.0025907 k( 312) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0025907 k( 313) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0025907 k( 314) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0025907 k( 315) = ( 0.0989583 0.0989583 0.5000000), wk = 0.0025907 k( 316) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0025907 k( 317) = ( 0.0885417 0.0885417 0.5000000), wk = 0.0025907 k( 318) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0025907 k( 319) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0025907 k( 320) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0025907 k( 321) = ( 0.0677083 0.0677083 0.5000000), wk = 0.0025907 k( 322) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0025907 k( 323) = ( 0.0572917 0.0572917 0.5000000), wk = 0.0025907 k( 324) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0025907 k( 325) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0025907 k( 326) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0025907 k( 327) = ( 0.0364583 0.0364583 0.5000000), wk = 0.0025907 k( 328) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0025907 k( 329) = ( 0.0260417 0.0260417 0.5000000), wk = 0.0025907 k( 330) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0025907 k( 331) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0025907 k( 332) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0025907 k( 333) = ( 0.0052083 0.0052083 0.5000000), wk = 0.0025907 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025907 k( 335) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 336) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0025907 k( 337) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0025907 k( 338) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0025907 k( 339) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0025907 k( 340) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0025907 k( 341) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0025907 k( 342) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0025907 k( 343) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0025907 k( 344) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0025907 k( 345) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0025907 k( 346) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0025907 k( 347) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0025907 k( 348) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0025907 k( 349) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0025907 k( 350) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0025907 k( 351) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0025907 k( 352) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0025907 k( 353) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0025907 k( 354) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0025907 k( 355) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0025907 k( 356) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0025907 k( 357) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0025907 k( 358) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0025907 k( 359) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0025907 k( 360) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025907 k( 361) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025907 k( 362) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0025907 k( 363) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0025907 k( 364) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0025907 k( 365) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0025907 k( 366) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0025907 k( 367) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0025907 k( 368) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0025907 k( 369) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0025907 k( 370) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0025907 k( 371) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0025907 k( 372) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0025907 k( 373) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0025907 k( 374) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0025907 k( 375) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0025907 k( 376) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0025907 k( 377) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0025907 k( 378) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0025907 k( 379) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0025907 k( 380) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0025907 k( 381) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0025907 k( 382) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0025907 k( 383) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0025907 k( 384) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0025907 k( 385) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0025907 k( 386) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025907 Dense grid: 39627 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 284, 44) NL pseudopotentials 0.29 Mb ( 142, 136) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 1106) G-vector shells 0.00 Mb ( 522) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 284, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./TiS.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 28 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.2 secs Computing kpt #: 14 total cpu time spent up to now is 10.8 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.9 secs Computing kpt #: 18 total cpu time spent up to now is 13.6 secs Computing kpt #: 19 total cpu time spent up to now is 14.3 secs Computing kpt #: 20 total cpu time spent up to now is 14.9 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 16.1 secs Computing kpt #: 23 total cpu time spent up to now is 16.7 secs Computing kpt #: 24 total cpu time spent up to now is 17.3 secs Computing kpt #: 25 total cpu time spent up to now is 17.9 secs Computing kpt #: 26 total cpu time spent up to now is 18.5 secs Computing kpt #: 27 total cpu time spent up to now is 19.1 secs Computing kpt #: 28 total cpu time spent up to now is 19.8 secs Computing kpt #: 29 total cpu time spent up to now is 20.4 secs Computing kpt #: 30 total cpu time spent up to now is 21.0 secs Computing kpt #: 31 total cpu time spent up to now is 21.6 secs Computing kpt #: 32 total cpu time spent up to now is 22.3 secs Computing kpt #: 33 total cpu time spent up to now is 22.9 secs Computing kpt #: 34 total cpu time spent up to now is 23.5 secs Computing kpt #: 35 total cpu time spent up to now is 24.1 secs Computing kpt #: 36 total cpu time spent up to now is 24.7 secs Computing kpt #: 37 total cpu time spent up to now is 25.3 secs Computing kpt #: 38 total cpu time spent up to now is 25.9 secs Computing kpt #: 39 total cpu time spent up to now is 26.5 secs Computing kpt #: 40 total cpu time spent up to now is 27.1 secs Computing kpt #: 41 total cpu time spent up to now is 27.7 secs Computing kpt #: 42 total cpu time spent up to now is 28.3 secs Computing kpt #: 43 total cpu time spent up to now is 29.0 secs Computing kpt #: 44 total cpu time spent up to now is 29.6 secs Computing kpt #: 45 total cpu time spent up to now is 30.2 secs Computing kpt #: 46 total cpu time spent up to now is 30.8 secs Computing kpt #: 47 total cpu time spent up to now is 31.4 secs Computing kpt #: 48 total cpu time spent up to now is 32.1 secs Computing kpt #: 49 total cpu time spent up to now is 32.7 secs Computing kpt #: 50 total cpu time spent up to now is 33.3 secs Computing kpt #: 51 total cpu time spent up to now is 33.9 secs Computing kpt #: 52 total cpu time spent up to now is 34.5 secs Computing kpt #: 53 total cpu time spent up to now is 35.1 secs Computing kpt #: 54 total cpu time spent up to now is 35.8 secs Computing kpt #: 55 total cpu time spent up to now is 36.4 secs Computing kpt #: 56 total cpu time spent up to now is 37.0 secs Computing kpt #: 57 total cpu time spent up to now is 37.6 secs Computing kpt #: 58 total cpu time spent up to now is 38.2 secs Computing kpt #: 59 total cpu time spent up to now is 38.8 secs Computing kpt #: 60 total cpu time spent up to now is 39.5 secs Computing kpt #: 61 total cpu time spent up to now is 40.1 secs Computing kpt #: 62 total cpu time spent up to now is 40.7 secs Computing kpt #: 63 total cpu time spent up to now is 41.4 secs Computing kpt #: 64 total cpu time spent up to now is 42.0 secs Computing kpt #: 65 total cpu time spent up to now is 42.6 secs Computing kpt #: 66 total cpu time spent up to now is 43.2 secs Computing kpt #: 67 total cpu time spent up to now is 43.8 secs Computing kpt #: 68 total cpu time spent up to now is 44.5 secs Computing kpt #: 69 total cpu time spent up to now is 45.1 secs Computing kpt #: 70 total cpu time spent up to now is 45.7 secs Computing kpt #: 71 total cpu time spent up to now is 46.3 secs Computing kpt #: 72 total cpu time spent up to now is 47.0 secs Computing kpt #: 73 total cpu time spent up to now is 47.6 secs Computing kpt #: 74 total cpu time spent up to now is 48.3 secs Computing kpt #: 75 total cpu time spent up to now is 49.0 secs Computing kpt #: 76 total cpu time spent up to now is 50.0 secs Computing kpt #: 77 total cpu time spent up to now is 50.7 secs Computing kpt #: 78 total cpu time spent up to now is 51.3 secs Computing kpt #: 79 total cpu time spent up to now is 51.9 secs Computing kpt #: 80 total cpu time spent up to now is 52.7 secs Computing kpt #: 81 total cpu time spent up to now is 53.4 secs Computing kpt #: 82 total cpu time spent up to now is 54.0 secs Computing kpt #: 83 total cpu time spent up to now is 54.6 secs Computing kpt #: 84 total cpu time spent up to now is 55.2 secs Computing kpt #: 85 total cpu time spent up to now is 55.8 secs Computing kpt #: 86 total cpu time spent up to now is 56.5 secs Computing kpt #: 87 total cpu time spent up to now is 57.1 secs Computing kpt #: 88 total cpu time spent up to now is 57.7 secs Computing kpt #: 89 total cpu time spent up to now is 58.3 secs Computing kpt #: 90 total cpu time spent up to now is 58.9 secs Computing kpt #: 91 total cpu time spent up to now is 59.5 secs Computing kpt #: 92 total cpu time spent up to now is 60.0 secs Computing kpt #: 93 total cpu time spent up to now is 60.7 secs Computing kpt #: 94 total cpu time spent up to now is 61.4 secs Computing kpt #: 95 total cpu time spent up to now is 62.0 secs Computing kpt #: 96 total cpu time spent up to now is 62.6 secs Computing kpt #: 97 total cpu time spent up to now is 63.3 secs Computing kpt #: 98 total cpu time spent up to now is 63.9 secs Computing kpt #: 99 total cpu time spent up to now is 64.5 secs Computing kpt #: 100 total cpu time spent up to now is 65.3 secs Computing kpt #: 101 total cpu time spent up to now is 66.0 secs Computing kpt #: 102 total cpu time spent up to now is 66.6 secs Computing kpt #: 103 total cpu time spent up to now is 67.2 secs Computing kpt #: 104 total cpu time spent up to now is 67.8 secs Computing kpt #: 105 total cpu time spent up to now is 68.4 secs Computing kpt #: 106 total cpu time spent up to now is 69.0 secs Computing kpt #: 107 total cpu time spent up to now is 69.7 secs Computing kpt #: 108 total cpu time spent up to now is 70.3 secs Computing kpt #: 109 total cpu time spent up to now is 70.9 secs Computing kpt #: 110 total cpu time spent up to now is 71.6 secs Computing kpt #: 111 total cpu time spent up to now is 72.3 secs Computing kpt #: 112 total cpu time spent up to now is 73.0 secs Computing kpt #: 113 total cpu time spent up to now is 73.7 secs Computing kpt #: 114 total cpu time spent up to now is 74.3 secs Computing kpt #: 115 total cpu time spent up to now is 74.9 secs Computing kpt #: 116 total cpu time spent up to now is 75.6 secs Computing kpt #: 117 total cpu time spent up to now is 76.2 secs Computing kpt #: 118 total cpu time spent up to now is 76.8 secs Computing kpt #: 119 total cpu time spent up to now is 77.4 secs Computing kpt #: 120 total cpu time spent up to now is 78.0 secs Computing kpt #: 121 total cpu time spent up to now is 78.6 secs Computing kpt #: 122 total cpu time spent up to now is 79.2 secs Computing kpt #: 123 total cpu time spent up to now is 79.8 secs Computing kpt #: 124 total cpu time spent up to now is 80.4 secs Computing kpt #: 125 total cpu time spent up to now is 81.0 secs Computing kpt #: 126 total cpu time spent up to now is 81.7 secs Computing kpt #: 127 total cpu time spent up to now is 82.2 secs Computing kpt #: 128 total cpu time spent up to now is 82.9 secs Computing kpt #: 129 total cpu time spent up to now is 83.5 secs Computing kpt #: 130 total cpu time spent up to now is 84.1 secs Computing kpt #: 131 total cpu time spent up to now is 84.7 secs Computing kpt #: 132 total cpu time spent up to now is 85.3 secs Computing kpt #: 133 total cpu time spent up to now is 86.0 secs Computing kpt #: 134 total cpu time spent up to now is 86.8 secs Computing kpt #: 135 total cpu time spent up to now is 87.4 secs Computing kpt #: 136 total cpu time spent up to now is 88.1 secs Computing kpt #: 137 total cpu time spent up to now is 88.8 secs Computing kpt #: 138 total cpu time spent up to now is 89.4 secs Computing kpt #: 139 total cpu time spent up to now is 90.2 secs Computing kpt #: 140 total cpu time spent up to now is 90.9 secs Computing kpt #: 141 total cpu time spent up to now is 91.7 secs Computing kpt #: 142 total cpu time spent up to now is 92.6 secs Computing kpt #: 143 total cpu time spent up to now is 93.5 secs Computing kpt #: 144 total cpu time spent up to now is 94.2 secs Computing kpt #: 145 total cpu time spent up to now is 94.9 secs Computing kpt #: 146 total cpu time spent up to now is 95.9 secs Computing kpt #: 147 total cpu time spent up to now is 96.6 secs Computing kpt #: 148 total cpu time spent up to now is 97.4 secs Computing kpt #: 149 total cpu time spent up to now is 98.1 secs Computing kpt #: 150 total cpu time spent up to now is 98.8 secs Computing kpt #: 151 total cpu time spent up to now is 99.6 secs Computing kpt #: 152 total cpu time spent up to now is 100.3 secs Computing kpt #: 153 total cpu time spent up to now is 100.9 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.2 secs Computing kpt #: 155 total cpu time spent up to now is 103.1 secs Computing kpt #: 156 total cpu time spent up to now is 103.8 secs Computing kpt #: 157 total cpu time spent up to now is 104.5 secs Computing kpt #: 158 total cpu time spent up to now is 105.2 secs Computing kpt #: 159 total cpu time spent up to now is 106.0 secs Computing kpt #: 160 total cpu time spent up to now is 106.7 secs Computing kpt #: 161 total cpu time spent up to now is 107.3 secs Computing kpt #: 162 total cpu time spent up to now is 108.0 secs Computing kpt #: 163 total cpu time spent up to now is 108.6 secs Computing kpt #: 164 total cpu time spent up to now is 109.3 secs Computing kpt #: 165 total cpu time spent up to now is 109.9 secs Computing kpt #: 166 total cpu time spent up to now is 110.6 secs Computing kpt #: 167 total cpu time spent up to now is 111.2 secs Computing kpt #: 168 total cpu time spent up to now is 111.8 secs Computing kpt #: 169 total cpu time spent up to now is 112.4 secs Computing kpt #: 170 total cpu time spent up to now is 113.0 secs Computing kpt #: 171 total cpu time spent up to now is 113.6 secs Computing kpt #: 172 total cpu time spent up to now is 114.1 secs Computing kpt #: 173 total cpu time spent up to now is 114.7 secs Computing kpt #: 174 total cpu time spent up to now is 115.3 secs Computing kpt #: 175 total cpu time spent up to now is 115.8 secs Computing kpt #: 176 total cpu time spent up to now is 116.4 secs Computing kpt #: 177 total cpu time spent up to now is 117.0 secs Computing kpt #: 178 total cpu time spent up to now is 117.5 secs Computing kpt #: 179 total cpu time spent up to now is 118.1 secs Computing kpt #: 180 total cpu time spent up to now is 118.6 secs Computing kpt #: 181 total cpu time spent up to now is 119.1 secs Computing kpt #: 182 total cpu time spent up to now is 119.7 secs Computing kpt #: 183 total cpu time spent up to now is 120.2 secs Computing kpt #: 184 total cpu time spent up to now is 120.7 secs Computing kpt #: 185 total cpu time spent up to now is 121.3 secs Computing kpt #: 186 total cpu time spent up to now is 121.8 secs Computing kpt #: 187 total cpu time spent up to now is 122.3 secs Computing kpt #: 188 total cpu time spent up to now is 122.8 secs Computing kpt #: 189 total cpu time spent up to now is 123.4 secs Computing kpt #: 190 total cpu time spent up to now is 123.9 secs Computing kpt #: 191 total cpu time spent up to now is 124.4 secs Computing kpt #: 192 total cpu time spent up to now is 125.0 secs Computing kpt #: 193 total cpu time spent up to now is 125.5 secs Computing kpt #: 194 total cpu time spent up to now is 126.0 secs Computing kpt #: 195 total cpu time spent up to now is 126.5 secs Computing kpt #: 196 total cpu time spent up to now is 127.1 secs Computing kpt #: 197 total cpu time spent up to now is 127.6 secs Computing kpt #: 198 total cpu time spent up to now is 128.1 secs Computing kpt #: 199 total cpu time spent up to now is 128.7 secs Computing kpt #: 200 total cpu time spent up to now is 129.2 secs Computing kpt #: 201 total cpu time spent up to now is 129.7 secs Computing kpt #: 202 total cpu time spent up to now is 130.3 secs Computing kpt #: 203 total cpu time spent up to now is 130.9 secs Computing kpt #: 204 total cpu time spent up to now is 131.4 secs Computing kpt #: 205 total cpu time spent up to now is 132.0 secs Computing kpt #: 206 total cpu time spent up to now is 132.5 secs Computing kpt #: 207 total cpu time spent up to now is 133.1 secs Computing kpt #: 208 total cpu time spent up to now is 133.7 secs Computing kpt #: 209 total cpu time spent up to now is 134.2 secs Computing kpt #: 210 total cpu time spent up to now is 134.8 secs Computing kpt #: 211 total cpu time spent up to now is 135.3 secs Computing kpt #: 212 total cpu time spent up to now is 135.9 secs Computing kpt #: 213 total cpu time spent up to now is 136.5 secs Computing kpt #: 214 total cpu time spent up to now is 137.0 secs Computing kpt #: 215 total cpu time spent up to now is 137.6 secs Computing kpt #: 216 total cpu time spent up to now is 138.2 secs Computing kpt #: 217 total cpu time spent up to now is 138.7 secs Computing kpt #: 218 total cpu time spent up to now is 139.3 secs Computing kpt #: 219 total cpu time spent up to now is 139.9 secs Computing kpt #: 220 total cpu time spent up to now is 140.5 secs Computing kpt #: 221 total cpu time spent up to now is 141.1 secs Computing kpt #: 222 total cpu time spent up to now is 141.7 secs Computing kpt #: 223 total cpu time spent up to now is 142.3 secs Computing kpt #: 224 total cpu time spent up to now is 142.8 secs Computing kpt #: 225 total cpu time spent up to now is 143.5 secs Computing kpt #: 226 total cpu time spent up to now is 144.1 secs Computing kpt #: 227 total cpu time spent up to now is 144.8 secs Computing kpt #: 228 total cpu time spent up to now is 145.4 secs Computing kpt #: 229 total cpu time spent up to now is 146.1 secs Computing kpt #: 230 total cpu time spent up to now is 146.7 secs Computing kpt #: 231 total cpu time spent up to now is 147.4 secs Computing kpt #: 232 total cpu time spent up to now is 148.0 secs Computing kpt #: 233 total cpu time spent up to now is 148.7 secs Computing kpt #: 234 total cpu time spent up to now is 149.3 secs Computing kpt #: 235 total cpu time spent up to now is 150.0 secs Computing kpt #: 236 total cpu time spent up to now is 150.8 secs Computing kpt #: 237 total cpu time spent up to now is 151.6 secs Computing kpt #: 238 total cpu time spent up to now is 152.3 secs Computing kpt #: 239 total cpu time spent up to now is 153.0 secs Computing kpt #: 240 total cpu time spent up to now is 153.8 secs Computing kpt #: 241 total cpu time spent up to now is 154.6 secs Computing kpt #: 242 total cpu time spent up to now is 155.5 secs Computing kpt #: 243 total cpu time spent up to now is 156.2 secs Computing kpt #: 244 total cpu time spent up to now is 156.8 secs Computing kpt #: 245 total cpu time spent up to now is 157.6 secs Computing kpt #: 246 total cpu time spent up to now is 158.2 secs Computing kpt #: 247 total cpu time spent up to now is 158.9 secs Computing kpt #: 248 total cpu time spent up to now is 159.5 secs Computing kpt #: 249 total cpu time spent up to now is 160.2 secs Computing kpt #: 250 total cpu time spent up to now is 160.8 secs Computing kpt #: 251 total cpu time spent up to now is 161.5 secs Computing kpt #: 252 total cpu time spent up to now is 162.1 secs Computing kpt #: 253 total cpu time spent up to now is 162.8 secs Computing kpt #: 254 total cpu time spent up to now is 163.4 secs Computing kpt #: 255 total cpu time spent up to now is 164.0 secs Computing kpt #: 256 total cpu time spent up to now is 164.7 secs Computing kpt #: 257 total cpu time spent up to now is 165.3 secs Computing kpt #: 258 total cpu time spent up to now is 166.0 secs Computing kpt #: 259 total cpu time spent up to now is 166.6 secs Computing kpt #: 260 total cpu time spent up to now is 167.2 secs Computing kpt #: 261 total cpu time spent up to now is 167.9 secs Computing kpt #: 262 total cpu time spent up to now is 168.5 secs Computing kpt #: 263 total cpu time spent up to now is 169.2 secs Computing kpt #: 264 total cpu time spent up to now is 169.8 secs Computing kpt #: 265 total cpu time spent up to now is 170.4 secs Computing kpt #: 266 total cpu time spent up to now is 171.1 secs Computing kpt #: 267 total cpu time spent up to now is 171.7 secs Computing kpt #: 268 total cpu time spent up to now is 172.4 secs Computing kpt #: 269 total cpu time spent up to now is 173.0 secs Computing kpt #: 270 total cpu time spent up to now is 173.8 secs Computing kpt #: 271 total cpu time spent up to now is 174.5 secs Computing kpt #: 272 total cpu time spent up to now is 175.1 secs Computing kpt #: 273 total cpu time spent up to now is 175.8 secs Computing kpt #: 274 total cpu time spent up to now is 176.4 secs Computing kpt #: 275 total cpu time spent up to now is 177.1 secs Computing kpt #: 276 total cpu time spent up to now is 177.7 secs Computing kpt #: 277 total cpu time spent up to now is 178.4 secs Computing kpt #: 278 total cpu time spent up to now is 179.1 secs Computing kpt #: 279 total cpu time spent up to now is 179.7 secs Computing kpt #: 280 total cpu time spent up to now is 180.4 secs Computing kpt #: 281 total cpu time spent up to now is 181.1 secs Computing kpt #: 282 total cpu time spent up to now is 181.7 secs Computing kpt #: 283 total cpu time spent up to now is 182.4 secs Computing kpt #: 284 total cpu time spent up to now is 183.0 secs Computing kpt #: 285 total cpu time spent up to now is 183.7 secs Computing kpt #: 286 total cpu time spent up to now is 184.4 secs Computing kpt #: 287 total cpu time spent up to now is 185.0 secs Computing kpt #: 288 total cpu time spent up to now is 185.7 secs Computing kpt #: 289 total cpu time spent up to now is 186.3 secs Computing kpt #: 290 total cpu time spent up to now is 186.9 secs Computing kpt #: 291 total cpu time spent up to now is 187.6 secs Computing kpt #: 292 total cpu time spent up to now is 188.2 secs Computing kpt #: 293 total cpu time spent up to now is 188.9 secs Computing kpt #: 294 total cpu time spent up to now is 189.5 secs Computing kpt #: 295 total cpu time spent up to now is 190.2 secs Computing kpt #: 296 total cpu time spent up to now is 190.8 secs Computing kpt #: 297 total cpu time spent up to now is 191.4 secs Computing kpt #: 298 total cpu time spent up to now is 192.1 secs Computing kpt #: 299 total cpu time spent up to now is 192.7 secs Computing kpt #: 300 total cpu time spent up to now is 193.3 secs Computing kpt #: 301 total cpu time spent up to now is 194.0 secs Computing kpt #: 302 total cpu time spent up to now is 194.6 secs Computing kpt #: 303 total cpu time spent up to now is 195.2 secs Computing kpt #: 304 total cpu time spent up to now is 195.8 secs Computing kpt #: 305 total cpu time spent up to now is 196.4 secs Computing kpt #: 306 total cpu time spent up to now is 197.1 secs Computing kpt #: 307 total cpu time spent up to now is 197.7 secs Computing kpt #: 308 total cpu time spent up to now is 198.2 secs Computing kpt #: 309 total cpu time spent up to now is 198.8 secs Computing kpt #: 310 total cpu time spent up to now is 199.4 secs Computing kpt #: 311 total cpu time spent up to now is 200.0 secs Computing kpt #: 312 total cpu time spent up to now is 200.5 secs Computing kpt #: 313 total cpu time spent up to now is 201.0 secs Computing kpt #: 314 total cpu time spent up to now is 201.6 secs Computing kpt #: 315 total cpu time spent up to now is 202.1 secs Computing kpt #: 316 total cpu time spent up to now is 202.6 secs Computing kpt #: 317 total cpu time spent up to now is 203.2 secs Computing kpt #: 318 total cpu time spent up to now is 203.7 secs Computing kpt #: 319 total cpu time spent up to now is 204.2 secs Computing kpt #: 320 total cpu time spent up to now is 204.7 secs Computing kpt #: 321 total cpu time spent up to now is 205.2 secs Computing kpt #: 322 total cpu time spent up to now is 205.8 secs Computing kpt #: 323 total cpu time spent up to now is 206.3 secs Computing kpt #: 324 total cpu time spent up to now is 206.9 secs Computing kpt #: 325 total cpu time spent up to now is 207.4 secs Computing kpt #: 326 total cpu time spent up to now is 207.9 secs Computing kpt #: 327 total cpu time spent up to now is 208.5 secs Computing kpt #: 328 total cpu time spent up to now is 209.0 secs Computing kpt #: 329 total cpu time spent up to now is 209.6 secs Computing kpt #: 330 total cpu time spent up to now is 210.1 secs Computing kpt #: 331 total cpu time spent up to now is 210.6 secs Computing kpt #: 332 total cpu time spent up to now is 211.2 secs Computing kpt #: 333 total cpu time spent up to now is 211.7 secs Computing kpt #: 334 total cpu time spent up to now is 212.2 secs Computing kpt #: 335 total cpu time spent up to now is 213.0 secs Computing kpt #: 336 total cpu time spent up to now is 213.8 secs Computing kpt #: 337 total cpu time spent up to now is 214.7 secs Computing kpt #: 338 total cpu time spent up to now is 215.5 secs Computing kpt #: 339 total cpu time spent up to now is 216.4 secs Computing kpt #: 340 total cpu time spent up to now is 217.3 secs Computing kpt #: 341 total cpu time spent up to now is 218.2 secs Computing kpt #: 342 total cpu time spent up to now is 219.2 secs Computing kpt #: 343 total cpu time spent up to now is 220.1 secs Computing kpt #: 344 total cpu time spent up to now is 221.0 secs Computing kpt #: 345 total cpu time spent up to now is 221.6 secs Computing kpt #: 346 total cpu time spent up to now is 222.5 secs Computing kpt #: 347 total cpu time spent up to now is 223.3 secs Computing kpt #: 348 total cpu time spent up to now is 224.2 secs Computing kpt #: 349 total cpu time spent up to now is 225.0 secs Computing kpt #: 350 total cpu time spent up to now is 225.9 secs Computing kpt #: 351 total cpu time spent up to now is 226.7 secs Computing kpt #: 352 total cpu time spent up to now is 227.4 secs Computing kpt #: 353 total cpu time spent up to now is 228.0 secs Computing kpt #: 354 total cpu time spent up to now is 228.6 secs Computing kpt #: 355 total cpu time spent up to now is 229.3 secs Computing kpt #: 356 total cpu time spent up to now is 229.9 secs Computing kpt #: 357 total cpu time spent up to now is 230.5 secs Computing kpt #: 358 total cpu time spent up to now is 231.2 secs Computing kpt #: 359 total cpu time spent up to now is 231.8 secs Computing kpt #: 360 total cpu time spent up to now is 232.4 secs Computing kpt #: 361 total cpu time spent up to now is 233.0 secs Computing kpt #: 362 total cpu time spent up to now is 233.5 secs Computing kpt #: 363 total cpu time spent up to now is 234.2 secs Computing kpt #: 364 total cpu time spent up to now is 234.8 secs Computing kpt #: 365 total cpu time spent up to now is 235.4 secs Computing kpt #: 366 total cpu time spent up to now is 236.1 secs Computing kpt #: 367 total cpu time spent up to now is 236.7 secs Computing kpt #: 368 total cpu time spent up to now is 237.4 secs Computing kpt #: 369 total cpu time spent up to now is 238.0 secs Computing kpt #: 370 total cpu time spent up to now is 238.7 secs Computing kpt #: 371 total cpu time spent up to now is 239.3 secs Computing kpt #: 372 total cpu time spent up to now is 240.0 secs Computing kpt #: 373 total cpu time spent up to now is 240.7 secs Computing kpt #: 374 total cpu time spent up to now is 241.3 secs Computing kpt #: 375 total cpu time spent up to now is 242.0 secs Computing kpt #: 376 total cpu time spent up to now is 242.6 secs Computing kpt #: 377 total cpu time spent up to now is 243.3 secs Computing kpt #: 378 total cpu time spent up to now is 243.9 secs Computing kpt #: 379 total cpu time spent up to now is 244.6 secs Computing kpt #: 380 total cpu time spent up to now is 245.2 secs Computing kpt #: 381 total cpu time spent up to now is 245.9 secs Computing kpt #: 382 total cpu time spent up to now is 246.5 secs Computing kpt #: 383 total cpu time spent up to now is 247.2 secs Computing kpt #: 384 total cpu time spent up to now is 247.8 secs Computing kpt #: 385 total cpu time spent up to now is 248.4 secs Computing kpt #: 386 total cpu time spent up to now is 249.2 secs ethr = 2.78E-08, avg # of iterations = 37.5 total cpu time spent up to now is 249.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4973 PWs) bands (ev): -43.8100 -43.8100 -43.7962 -43.7962 -20.5214 -20.5214 -20.4535 -20.4535 -19.9095 -19.9095 -19.8103 -19.8103 -19.7831 -19.7831 -19.7665 -19.7665 -2.1698 -2.1698 -0.9135 -0.9135 5.7554 5.7554 9.7282 9.7282 9.7665 9.7665 10.2179 10.2179 11.4388 11.4388 11.8684 11.8684 11.9431 11.9431 13.2357 13.2357 13.2635 13.2635 13.5079 13.5079 13.5086 13.5086 14.8772 14.8773 k = 0.0091 0.0052-0.0000 ( 4961 PWs) bands (ev): -43.8100 -43.8100 -43.7961 -43.7961 -20.5214 -20.5214 -20.4535 -20.4535 -19.9095 -19.9095 -19.8103 -19.8103 -19.7832 -19.7832 -19.7666 -19.7666 -2.1687 -2.1687 -0.9131 -0.9131 5.7569 5.7569 9.7268 9.7268 9.7652 9.7652 10.2152 10.2152 11.4366 11.4366 11.8633 11.8633 11.9375 11.9375 13.2374 13.2374 13.2653 13.2653 13.5111 13.5111 13.5132 13.5132 14.8771 14.8771 k = 0.0182 0.0105-0.0000 ( 4957 PWs) bands (ev): -43.8100 -43.8100 -43.7961 -43.7961 -20.5215 -20.5215 -20.4537 -20.4537 -19.9096 -19.9096 -19.8104 -19.8104 -19.7835 -19.7835 -19.7669 -19.7669 -2.1653 -2.1653 -0.9120 -0.9120 5.7613 5.7613 9.7223 9.7223 9.7618 9.7618 10.2072 10.2072 11.4296 11.4296 11.8484 11.8484 11.9214 11.9214 13.2425 13.2425 13.2707 13.2707 13.5195 13.5195 13.5276 13.5276 14.8769 14.8769 k = 0.0273 0.0157-0.0000 ( 4953 PWs) bands (ev): -43.8099 -43.8099 -43.7960 -43.7960 -20.5216 -20.5216 -20.4539 -20.4539 -19.9097 -19.9097 -19.8105 -19.8105 -19.7839 -19.7839 -19.7673 -19.7673 -2.1597 -2.1597 -0.9101 -0.9101 5.7685 5.7685 9.7133 9.7133 9.7574 9.7574 10.1941 10.1941 11.4162 11.4162 11.8251 11.8251 11.8962 11.8962 13.2502 13.2502 13.2802 13.2802 13.5328 13.5328 13.5510 13.5510 14.8763 14.8763 k = 0.0364 0.0210-0.0000 ( 4939 PWs) bands (ev): -43.8098 -43.8098 -43.7959 -43.7959 -20.5217 -20.5217 -20.4543 -20.4543 -19.9099 -19.9099 -19.8107 -19.8107 -19.7846 -19.7846 -19.7679 -19.7679 -2.1519 -2.1519 -0.9074 -0.9074 5.7787 5.7787 9.6988 9.6988 9.7534 9.7534 10.1760 10.1760 11.3938 11.3938 11.7959 11.7959 11.8641 11.8641 13.2602 13.2602 13.2940 13.2940 13.5501 13.5501 13.5826 13.5826 14.8752 14.8752 k = 0.0455 0.0262-0.0000 ( 4931 PWs) bands (ev): -43.8097 -43.8097 -43.7958 -43.7958 -20.5219 -20.5219 -20.4547 -20.4547 -19.9101 -19.9101 -19.8109 -19.8109 -19.7855 -19.7855 -19.7687 -19.7687 -2.1419 -2.1419 -0.9040 -0.9040 5.7917 5.7917 9.6785 9.6785 9.7501 9.7501 10.1531 10.1531 11.3590 11.3590 11.7647 11.7647 11.8272 11.8272 13.2718 13.2718 13.3120 13.3120 13.5704 13.5704 13.6215 13.6215 14.8734 14.8734 k = 0.0545 0.0315-0.0000 ( 4933 PWs) bands (ev): -43.8095 -43.8095 -43.7956 -43.7956 -20.5221 -20.5221 -20.4553 -20.4553 -19.9104 -19.9104 -19.8111 -19.8111 -19.7865 -19.7865 -19.7697 -19.7697 -2.1296 -2.1296 -0.8998 -0.8998 5.8075 5.8075 9.6527 9.6527 9.7473 9.7473 10.1259 10.1259 11.3085 11.3085 11.7347 11.7347 11.7882 11.7882 13.2852 13.2852 13.3338 13.3338 13.5928 13.5928 13.6666 13.6666 14.8707 14.8707 k = 0.0636 0.0367-0.0000 ( 4935 PWs) bands (ev): -43.8093 -43.8093 -43.7954 -43.7954 -20.5224 -20.5224 -20.4559 -20.4559 -19.9107 -19.9107 -19.8115 -19.8115 -19.7876 -19.7876 -19.7708 -19.7708 -2.1152 -2.1152 -0.8949 -0.8949 5.8262 5.8262 9.6218 9.6218 9.7448 9.7448 10.0945 10.0945 11.2405 11.2405 11.7046 11.7046 11.7526 11.7526 13.3003 13.3003 13.3585 13.3585 13.6163 13.6163 13.7169 13.7169 14.8673 14.8673 k = 0.0727 0.0420-0.0000 ( 4939 PWs) bands (ev): -43.8091 -43.8091 -43.7952 -43.7952 -20.5227 -20.5227 -20.4566 -20.4566 -19.9110 -19.9110 -19.8119 -19.8119 -19.7889 -19.7889 -19.7720 -19.7720 -2.0987 -2.0987 -0.8893 -0.8893 5.8477 5.8477 9.5863 9.5863 9.7421 9.7421 10.0595 10.0595 11.1559 11.1559 11.6666 11.6666 11.7298 11.7298 13.3173 13.3173 13.3855 13.3855 13.6404 13.6404 13.7715 13.7715 14.8632 14.8632 k = 0.0818 0.0472-0.0000 ( 4937 PWs) bands (ev): -43.8088 -43.8088 -43.7950 -43.7950 -20.5230 -20.5230 -20.4575 -20.4575 -19.9115 -19.9115 -19.8124 -19.8124 -19.7904 -19.7904 -19.7734 -19.7734 -2.0800 -2.0800 -0.8829 -0.8829 5.8720 5.8720 9.5466 9.5466 9.7394 9.7394 10.0211 10.0211 11.0569 11.0569 11.6199 11.6199 11.7205 11.7205 13.3362 13.3362 13.4140 13.4140 13.6646 13.6646 13.8294 13.8294 14.8584 14.8584 k = 0.0909 0.0525-0.0000 ( 4937 PWs) bands (ev): -43.8085 -43.8085 -43.7947 -43.7947 -20.5234 -20.5234 -20.4584 -20.4584 -19.9119 -19.9119 -19.8130 -19.8130 -19.7919 -19.7919 -19.7750 -19.7750 -2.0592 -2.0592 -0.8758 -0.8758 5.8989 5.8989 9.5028 9.5028 9.7363 9.7363 9.9798 9.9798 10.9462 10.9462 11.5689 11.5689 11.7193 11.7193 13.3570 13.3570 13.4430 13.4430 13.6887 13.6887 13.8899 13.8899 14.8530 14.8530 k = 0.1000 0.0577-0.0000 ( 4937 PWs) bands (ev): -43.8082 -43.8082 -43.7944 -43.7944 -20.5238 -20.5238 -20.4594 -20.4594 -19.9124 -19.9124 -19.8137 -19.8137 -19.7934 -19.7934 -19.7767 -19.7767 -2.0363 -2.0363 -0.8681 -0.8681 5.9286 5.9286 9.4554 9.4554 9.7328 9.7328 9.9359 9.9359 10.8262 10.8262 11.5156 11.5156 11.7234 11.7234 13.3797 13.3797 13.4718 13.4718 13.7124 13.7124 13.9523 13.9523 14.8472 14.8472 k = 0.1091 0.0630-0.0000 ( 4941 PWs) bands (ev): -43.8079 -43.8079 -43.7941 -43.7941 -20.5243 -20.5243 -20.4605 -20.4605 -19.9130 -19.9130 -19.8146 -19.8146 -19.7950 -19.7950 -19.7785 -19.7785 -2.0114 -2.0114 -0.8596 -0.8596 5.9608 5.9608 9.4046 9.4046 9.7288 9.7288 9.8898 9.8898 10.6989 10.6989 11.4613 11.4613 11.7310 11.7310 13.4042 13.4042 13.4995 13.4995 13.7359 13.7359 14.0160 14.0160 14.8410 14.8410 k = 0.1182 0.0682-0.0000 ( 4945 PWs) bands (ev): -43.8075 -43.8075 -43.7938 -43.7938 -20.5248 -20.5248 -20.4617 -20.4617 -19.9136 -19.9136 -19.8156 -19.8156 -19.7966 -19.7966 -19.7804 -19.7804 -1.9845 -1.9845 -0.8505 -0.8505 5.9957 5.9957 9.3506 9.3506 9.7243 9.7243 9.8419 9.8419 10.5657 10.5657 11.4066 11.4066 11.7411 11.7411 13.4305 13.4305 13.5255 13.5255 13.7592 13.7592 14.0804 14.0804 14.8344 14.8344 k = 0.1273 0.0735-0.0000 ( 4945 PWs) bands (ev): -43.8072 -43.8072 -43.7934 -43.7934 -20.5253 -20.5253 -20.4630 -20.4630 -19.9142 -19.9142 -19.8169 -19.8169 -19.7981 -19.7981 -19.7825 -19.7825 -1.9556 -1.9556 -0.8407 -0.8407 6.0330 6.0330 9.2938 9.2938 9.7191 9.7191 9.7925 9.7925 10.4279 10.4279 11.3520 11.3520 11.7529 11.7529 13.4585 13.4585 13.5490 13.5490 13.7824 13.7824 14.1450 14.1450 14.8276 14.8276 k = 0.1364 0.0787-0.0000 ( 4945 PWs) bands (ev): -43.8068 -43.8068 -43.7930 -43.7930 -20.5259 -20.5259 -20.4644 -20.4644 -19.9149 -19.9149 -19.8185 -19.8185 -19.7995 -19.7995 -19.7846 -19.7846 -1.9249 -1.9249 -0.8303 -0.8303 6.0728 6.0728 9.2345 9.2345 9.7130 9.7130 9.7420 9.7420 10.2866 10.2866 11.2979 11.2979 11.7659 11.7659 13.4881 13.4881 13.5695 13.5695 13.8057 13.8057 14.2094 14.2094 14.8207 14.8207 k = 0.1455 0.0840-0.0000 ( 4941 PWs) bands (ev): -43.8063 -43.8063 -43.7926 -43.7926 -20.5265 -20.5265 -20.4658 -20.4658 -19.9156 -19.9156 -19.8203 -19.8203 -19.8008 -19.8008 -19.7868 -19.7868 -1.8922 -1.8922 -0.8192 -0.8192 6.1150 6.1150 9.1728 9.1728 9.6891 9.6891 9.7075 9.7075 10.1427 10.1427 11.2446 11.2446 11.7795 11.7795 13.5189 13.5189 13.5866 13.5866 13.8294 13.8294 14.2732 14.2732 14.8136 14.8136 k = 0.1545 0.0892-0.0000 ( 4945 PWs) bands (ev): -43.8059 -43.8059 -43.7922 -43.7922 -20.5272 -20.5272 -20.4673 -20.4673 -19.9164 -19.9164 -19.8224 -19.8224 -19.8020 -19.8020 -19.7891 -19.7891 -1.8578 -1.8578 -0.8076 -0.8076 6.1595 6.1595 9.1089 9.1089 9.6371 9.6371 9.6996 9.6996 9.9969 9.9969 11.1924 11.1924 11.7935 11.7935 13.5505 13.5505 13.6005 13.6005 13.8536 13.8536 14.3360 14.3360 14.8066 14.8066 k = 0.1636 0.0945-0.0000 ( 4949 PWs) bands (ev): -43.8054 -43.8054 -43.7918 -43.7918 -20.5279 -20.5279 -20.4689 -20.4689 -19.9172 -19.9172 -19.8247 -19.8247 -19.8030 -19.8030 -19.7915 -19.7915 -1.8217 -1.8217 -0.7954 -0.7954 6.2061 6.2061 9.0431 9.0431 9.5840 9.5840 9.6911 9.6911 9.8500 9.8500 11.1416 11.1416 11.8074 11.8074 13.5805 13.5805 13.6131 13.6131 13.8787 13.8787 14.3976 14.3976 14.7997 14.7997 k = 0.1727 0.0997-0.0000 ( 4949 PWs) bands (ev): -43.8050 -43.8050 -43.7913 -43.7913 -20.5286 -20.5286 -20.4706 -20.4706 -19.9180 -19.9180 -19.8273 -19.8273 -19.8038 -19.8038 -19.7939 -19.7939 -1.7839 -1.7839 -0.7826 -0.7826 6.2549 6.2549 8.9755 8.9755 9.5301 9.5301 9.6810 9.6810 9.7040 9.7040 11.0923 11.0923 11.8209 11.8209 13.5997 13.5997 13.6335 13.6335 13.9049 13.9049 14.4576 14.4576 14.7931 14.7931 k = 0.1818 0.1050-0.0000 ( 4963 PWs) bands (ev): -43.8045 -43.8045 -43.7908 -43.7908 -20.5294 -20.5294 -20.4723 -20.4723 -19.9189 -19.9189 -19.8300 -19.8300 -19.8046 -19.8046 -19.7963 -19.7963 -1.7445 -1.7445 -0.7693 -0.7693 6.3057 6.3057 8.9062 8.9062 9.4735 9.4735 9.5585 9.5585 9.6720 9.6720 11.0447 11.0447 11.8337 11.8337 13.6040 13.6040 13.6656 13.6656 13.9324 13.9324 14.5157 14.5157 14.7869 14.7869 k = 0.1909 0.1102-0.0000 ( 4967 PWs) bands (ev): -43.8040 -43.8040 -43.7904 -43.7904 -20.5302 -20.5302 -20.4741 -20.4741 -19.9198 -19.9198 -19.8329 -19.8329 -19.8052 -19.8052 -19.7988 -19.7988 -1.7035 -1.7035 -0.7555 -0.7555 6.3584 6.3584 8.8351 8.8351 9.3894 9.3894 9.4428 9.4428 9.6606 9.6606 10.9990 10.9990 11.8455 11.8455 13.6010 13.6010 13.7017 13.7017 13.9616 13.9616 14.5719 14.5719 14.7812 14.7812 k = 0.2000 0.1155-0.0000 ( 4975 PWs) bands (ev): -43.8035 -43.8035 -43.7899 -43.7899 -20.5311 -20.5311 -20.4760 -20.4760 -19.9208 -19.9208 -19.8360 -19.8360 -19.8058 -19.8058 -19.8013 -19.8013 -1.6612 -1.6612 -0.7412 -0.7412 6.4129 6.4129 8.7620 8.7620 9.2533 9.2533 9.3808 9.3808 9.6483 9.6483 10.9553 10.9553 11.8560 11.8560 13.5932 13.5932 13.7394 13.7394 13.9926 13.9926 14.6258 14.6258 14.7763 14.7763 k = 0.2091 0.1207-0.0000 ( 4963 PWs) bands (ev): -43.8029 -43.8029 -43.7894 -43.7894 -20.5320 -20.5320 -20.4779 -20.4779 -19.9218 -19.9218 -19.8392 -19.8392 -19.8064 -19.8064 -19.8037 -19.8037 -1.6175 -1.6175 -0.7264 -0.7264 6.4691 6.4691 8.6865 8.6865 9.1117 9.1117 9.3273 9.3273 9.6349 9.6349 10.9137 10.9137 11.8650 11.8650 13.5814 13.5814 13.7779 13.7779 14.0257 14.0257 14.6774 14.6774 14.7723 14.7723 k = 0.2182 0.1260-0.0000 ( 4953 PWs) bands (ev): -43.8024 -43.8024 -43.7889 -43.7889 -20.5329 -20.5329 -20.4798 -20.4798 -19.9228 -19.9228 -19.8425 -19.8425 -19.8070 -19.8070 -19.8060 -19.8060 -1.5726 -1.5726 -0.7112 -0.7112 6.5268 6.5268 8.6077 8.6077 8.9729 8.9729 9.2758 9.2758 9.6205 9.6205 10.8743 10.8743 11.8722 11.8722 13.5661 13.5661 13.8167 13.8167 14.0611 14.0611 14.7264 14.7264 14.7697 14.7697 k = 0.2273 0.1312-0.0000 ( 4957 PWs) bands (ev): -43.8019 -43.8019 -43.7884 -43.7884 -20.5338 -20.5338 -20.4818 -20.4818 -19.9239 -19.9239 -19.8458 -19.8458 -19.8089 -19.8089 -19.8070 -19.8070 -1.5266 -1.5266 -0.6956 -0.6956 6.5859 6.5859 8.5239 8.5239 8.8397 8.8397 9.2255 9.2255 9.6050 9.6050 10.8371 10.8371 11.8775 11.8775 13.5475 13.5475 13.8556 13.8556 14.0991 14.0991 14.7654 14.7654 14.7758 14.7758 k = 0.2364 0.1365-0.0000 ( 4951 PWs) bands (ev): -43.8013 -43.8013 -43.7878 -43.7878 -20.5348 -20.5348 -20.4838 -20.4838 -19.9250 -19.9250 -19.8492 -19.8492 -19.8113 -19.8113 -19.8074 -19.8074 -1.4795 -1.4795 -0.6796 -0.6796 6.6462 6.6462 8.4328 8.4328 8.7153 8.7153 9.1764 9.1764 9.5885 9.5885 10.8021 10.8021 11.8807 11.8807 13.5261 13.5261 13.8940 13.8940 14.1397 14.1397 14.7676 14.7676 14.8180 14.8180 k = 0.2455 0.1417-0.0000 ( 4951 PWs) bands (ev): -43.8008 -43.8008 -43.7873 -43.7873 -20.5358 -20.5358 -20.4859 -20.4859 -19.9261 -19.9261 -19.8526 -19.8526 -19.8137 -19.8137 -19.8078 -19.8078 -1.4316 -1.4316 -0.6633 -0.6633 6.7076 6.7076 8.3321 8.3321 8.6024 8.6024 9.1286 9.1286 9.5711 9.5711 10.7694 10.7694 11.8817 11.8817 13.5020 13.5020 13.9316 13.9316 14.1830 14.1830 14.7699 14.7699 14.8594 14.8594 k = 0.2545 0.1470-0.0000 ( 4947 PWs) bands (ev): -43.8002 -43.8002 -43.7868 -43.7868 -20.5368 -20.5368 -20.4880 -20.4880 -19.9272 -19.9272 -19.8560 -19.8560 -19.8161 -19.8161 -19.8081 -19.8081 -1.3829 -1.3829 -0.6466 -0.6466 6.7699 6.7699 8.2210 8.2210 8.5024 8.5024 9.0821 9.0821 9.5528 9.5528 10.7389 10.7389 11.8805 11.8805 13.4757 13.4757 13.9681 13.9681 14.2293 14.2293 14.7746 14.7746 14.8983 14.8983 k = 0.2636 0.1522-0.0000 ( 4951 PWs) bands (ev): -43.7997 -43.7997 -43.7863 -43.7863 -20.5379 -20.5379 -20.4900 -20.4900 -19.9284 -19.9284 -19.8594 -19.8594 -19.8184 -19.8184 -19.8084 -19.8084 -1.3337 -1.3337 -0.6295 -0.6295 6.8329 6.8329 8.1013 8.1013 8.4137 8.4137 9.0371 9.0371 9.5337 9.5337 10.7105 10.7105 11.8771 11.8771 13.4473 13.4473 14.0029 14.0029 14.2785 14.2785 14.7818 14.7818 14.9348 14.9348 k = 0.2727 0.1575-0.0000 ( 4945 PWs) bands (ev): -43.7992 -43.7992 -43.7858 -43.7858 -20.5390 -20.5390 -20.4921 -20.4921 -19.9296 -19.9296 -19.8628 -19.8628 -19.8207 -19.8207 -19.8086 -19.8086 -1.2840 -1.2840 -0.6122 -0.6122 6.8963 6.8963 7.9762 7.9762 8.3337 8.3337 8.9937 8.9937 9.5140 9.5140 10.6842 10.6842 11.8714 11.8714 13.4171 13.4171 14.0356 14.0356 14.3306 14.3306 14.7922 14.7922 14.9689 14.9689 k = 0.2818 0.1627-0.0000 ( 4943 PWs) bands (ev): -43.7986 -43.7986 -43.7853 -43.7853 -20.5400 -20.5400 -20.4942 -20.4942 -19.9308 -19.9308 -19.8661 -19.8661 -19.8229 -19.8229 -19.8089 -19.8089 -1.2341 -1.2341 -0.5945 -0.5945 6.9601 6.9601 7.8486 7.8486 8.2600 8.2600 8.9519 8.9519 9.4937 9.4937 10.6599 10.6599 11.8636 11.8636 13.3852 13.3852 14.0659 14.0659 14.3856 14.3856 14.8058 14.8058 15.0007 15.0007 k = 0.2909 0.1680-0.0000 ( 4955 PWs) bands (ev): -43.7981 -43.7981 -43.7847 -43.7847 -20.5411 -20.5411 -20.4963 -20.4963 -19.9320 -19.9320 -19.8694 -19.8694 -19.8250 -19.8250 -19.8091 -19.8091 -1.1841 -1.1841 -0.5766 -0.5766 7.0238 7.0238 7.7205 7.7205 8.1908 8.1908 8.9119 8.9119 9.4730 9.4730 10.6376 10.6376 11.8538 11.8538 13.3521 13.3521 14.0933 14.0933 14.4434 14.4434 14.8230 14.8230 15.0303 15.0303 k = 0.3000 0.1732-0.0000 ( 4959 PWs) bands (ev): -43.7976 -43.7976 -43.7842 -43.7842 -20.5422 -20.5422 -20.4984 -20.4984 -19.9332 -19.9332 -19.8726 -19.8726 -19.8270 -19.8270 -19.8093 -19.8093 -1.1343 -1.1343 -0.5584 -0.5584 7.0873 7.0873 7.5932 7.5932 8.1252 8.1252 8.8739 8.8739 9.4521 9.4521 10.6170 10.6170 11.8421 11.8421 13.3177 13.3177 14.1176 14.1176 14.5039 14.5039 14.8438 14.8438 15.0578 15.0578 k = 0.3091 0.1785-0.0000 ( 4955 PWs) bands (ev): -43.7971 -43.7971 -43.7838 -43.7838 -20.5433 -20.5433 -20.5005 -20.5005 -19.9345 -19.9345 -19.8758 -19.8758 -19.8290 -19.8290 -19.8095 -19.8095 -1.0849 -1.0849 -0.5398 -0.5398 7.1502 7.1502 7.4677 7.4677 8.0627 8.0627 8.8379 8.8379 9.4310 9.4310 10.5982 10.5982 11.8287 11.8287 13.2824 13.2824 14.1387 14.1387 14.5668 14.5668 14.8684 14.8684 15.0833 15.0833 k = 0.3182 0.1837-0.0000 ( 4952 PWs) bands (ev): -43.7965 -43.7965 -43.7833 -43.7833 -20.5444 -20.5444 -20.5025 -20.5025 -19.9357 -19.9357 -19.8789 -19.8789 -19.8309 -19.8309 -19.8097 -19.8097 -1.0361 -1.0361 -0.5210 -0.5210 7.2120 7.2120 7.3451 7.3451 8.0029 8.0029 8.8041 8.8041 9.4099 9.4099 10.5810 10.5810 11.8139 11.8139 13.2463 13.2463 14.1567 14.1567 14.6320 14.6320 14.8964 14.8964 15.1070 15.1070 k = 0.3273 0.1890-0.0000 ( 4962 PWs) bands (ev): -43.7961 -43.7961 -43.7828 -43.7828 -20.5454 -20.5454 -20.5045 -20.5045 -19.9369 -19.9369 -19.8819 -19.8819 -19.8326 -19.8326 -19.8099 -19.8099 -0.9883 -0.9883 -0.5018 -0.5018 7.2220 7.2220 7.2759 7.2759 7.9457 7.9457 8.7726 8.7726 9.3889 9.3889 10.5652 10.5652 11.7977 11.7977 13.2097 13.2097 14.1715 14.1715 14.6991 14.6991 14.9276 14.9276 15.1290 15.1290 k = 0.3364 0.1942-0.0000 ( 4958 PWs) bands (ev): -43.7956 -43.7956 -43.7824 -43.7824 -20.5465 -20.5465 -20.5064 -20.5064 -19.9381 -19.9381 -19.8848 -19.8848 -19.8343 -19.8343 -19.8100 -19.8100 -0.9416 -0.9416 -0.4822 -0.4822 7.1068 7.1068 7.3340 7.3340 7.8911 7.8911 8.7436 8.7436 9.3683 9.3683 10.5509 10.5509 11.7806 11.7806 13.1727 13.1727 14.1835 14.1835 14.7678 14.7678 14.9616 14.9616 15.1493 15.1493 k = 0.3455 0.1994-0.0000 ( 4958 PWs) bands (ev): -43.7951 -43.7951 -43.7819 -43.7819 -20.5475 -20.5475 -20.5083 -20.5083 -19.9393 -19.9393 -19.8876 -19.8876 -19.8359 -19.8359 -19.8101 -19.8101 -0.8964 -0.8964 -0.4623 -0.4623 6.9939 6.9939 7.3916 7.3916 7.8391 7.8391 8.7170 8.7170 9.3480 9.3480 10.5378 10.5378 11.7627 11.7627 13.1356 13.1356 14.1930 14.1930 14.8377 14.8377 14.9979 14.9979 15.1682 15.1682 k = 0.3545 0.2047-0.0000 ( 4962 PWs) bands (ev): -43.7947 -43.7947 -43.7815 -43.7815 -20.5485 -20.5485 -20.5101 -20.5101 -19.9404 -19.9404 -19.8902 -19.8902 -19.8374 -19.8374 -19.8103 -19.8103 -0.8531 -0.8531 -0.4419 -0.4419 6.8851 6.8851 7.4472 7.4472 7.7895 7.7895 8.6932 8.6932 9.3283 9.3283 10.5259 10.5259 11.7444 11.7444 13.0986 13.0986 14.2002 14.2002 14.9082 14.9082 15.0360 15.0360 15.1857 15.1857 k = 0.3636 0.2099-0.0000 ( 4962 PWs) bands (ev): -43.7943 -43.7943 -43.7811 -43.7811 -20.5495 -20.5495 -20.5119 -20.5119 -19.9415 -19.9415 -19.8928 -19.8928 -19.8388 -19.8388 -19.8104 -19.8104 -0.8119 -0.8119 -0.4210 -0.4210 6.7807 6.7807 7.5002 7.5002 7.7426 7.7426 8.6722 8.6722 9.3092 9.3092 10.5151 10.5151 11.7257 11.7257 13.0619 13.0619 14.2055 14.2055 14.9788 14.9788 15.0753 15.0753 15.2019 15.2019 k = 0.3727 0.2152-0.0000 ( 4962 PWs) bands (ev): -43.7939 -43.7939 -43.7807 -43.7807 -20.5505 -20.5505 -20.5136 -20.5136 -19.9426 -19.9426 -19.8952 -19.8952 -19.8401 -19.8401 -19.8105 -19.8105 -0.7732 -0.7732 -0.3996 -0.3996 6.6810 6.6810 7.5503 7.5503 7.6984 7.6984 8.6542 8.6542 9.2909 9.2909 10.5054 10.5054 11.7070 11.7070 13.0257 13.0257 14.2093 14.2093 15.0486 15.0486 15.1152 15.1152 15.2169 15.2169 k = 0.3818 0.2204-0.0000 ( 4958 PWs) bands (ev): -43.7935 -43.7935 -43.7804 -43.7804 -20.5514 -20.5514 -20.5152 -20.5152 -19.9437 -19.9437 -19.8974 -19.8974 -19.8413 -19.8413 -19.8106 -19.8106 -0.7371 -0.7371 -0.3778 -0.3778 6.5864 6.5864 7.5970 7.5970 7.6570 7.6570 8.6391 8.6391 9.2735 9.2735 10.4966 10.4966 11.6886 11.6886 12.9903 12.9903 14.2118 14.2118 15.1166 15.1166 15.1553 15.1553 15.2309 15.2309 k = 0.3909 0.2257-0.0000 ( 4954 PWs) bands (ev): -43.7931 -43.7931 -43.7800 -43.7800 -20.5522 -20.5522 -20.5167 -20.5167 -19.9446 -19.9446 -19.8996 -19.8996 -19.8424 -19.8424 -19.8107 -19.8107 -0.7039 -0.7039 -0.3557 -0.3557 6.4972 6.4972 7.6174 7.6174 7.6410 7.6410 8.6270 8.6270 9.2570 9.2570 10.4887 10.4887 11.6705 11.6705 12.9560 12.9560 14.2133 14.2133 15.1809 15.1809 15.1955 15.1955 15.2446 15.2446 k = 0.4000 0.2309-0.0000 ( 4950 PWs) bands (ev): -43.7928 -43.7928 -43.7797 -43.7797 -20.5530 -20.5530 -20.5181 -20.5181 -19.9456 -19.9456 -19.9015 -19.9015 -19.8434 -19.8434 -19.8108 -19.8108 -0.6738 -0.6738 -0.3335 -0.3335 6.4137 6.4137 7.5819 7.5819 7.6800 7.6800 8.6179 8.6179 9.2415 9.2415 10.4816 10.4816 11.6531 11.6531 12.9231 12.9231 14.2140 14.2140 15.2311 15.2311 15.2392 15.2392 15.2632 15.2632 k = 0.4091 0.2362-0.0000 ( 4958 PWs) bands (ev): -43.7925 -43.7925 -43.7794 -43.7794 -20.5538 -20.5538 -20.5194 -20.5194 -19.9465 -19.9465 -19.9033 -19.9033 -19.8443 -19.8443 -19.8108 -19.8108 -0.6469 -0.6469 -0.3113 -0.3113 6.3363 6.3363 7.5489 7.5489 7.7152 7.7152 8.6116 8.6116 9.2272 9.2272 10.4752 10.4752 11.6366 11.6366 12.8917 12.8917 14.2141 14.2141 15.2606 15.2606 15.2691 15.2691 15.3092 15.3092 k = 0.4182 0.2414-0.0000 ( 4954 PWs) bands (ev): -43.7922 -43.7922 -43.7791 -43.7791 -20.5545 -20.5545 -20.5206 -20.5206 -19.9473 -19.9473 -19.9050 -19.9050 -19.8451 -19.8451 -19.8109 -19.8109 -0.6230 -0.6230 -0.2896 -0.2896 6.2651 6.2651 7.5188 7.5188 7.7463 7.7463 8.6080 8.6080 9.2140 9.2140 10.4696 10.4696 11.6211 11.6211 12.8622 12.8622 14.2137 14.2137 15.2714 15.2714 15.3043 15.3043 15.3599 15.3599 k = 0.4273 0.2467-0.0000 ( 4958 PWs) bands (ev): -43.7919 -43.7919 -43.7789 -43.7789 -20.5551 -20.5551 -20.5217 -20.5217 -19.9480 -19.9480 -19.9065 -19.9065 -19.8458 -19.8458 -19.8110 -19.8110 -0.6022 -0.6022 -0.2686 -0.2686 6.2005 6.2005 7.4917 7.4917 7.7733 7.7733 8.6067 8.6067 9.2020 9.2020 10.4647 10.4647 11.6068 11.6068 12.8349 12.8349 14.2131 14.2131 15.2802 15.2802 15.3371 15.3371 15.4054 15.4054 k = 0.4364 0.2519-0.0000 ( 4962 PWs) bands (ev): -43.7917 -43.7917 -43.7787 -43.7787 -20.5557 -20.5557 -20.5227 -20.5227 -19.9486 -19.9486 -19.9078 -19.9078 -19.8465 -19.8465 -19.8110 -19.8110 -0.5842 -0.5842 -0.2489 -0.2489 6.1427 6.1427 7.4677 7.4677 7.7962 7.7962 8.6073 8.6073 9.1914 9.1914 10.4604 10.4604 11.5938 11.5938 12.8100 12.8100 14.2123 14.2123 15.2878 15.2878 15.3670 15.3670 15.4444 15.4444 k = 0.4455 0.2572-0.0000 ( 4954 PWs) bands (ev): -43.7915 -43.7915 -43.7785 -43.7785 -20.5562 -20.5562 -20.5236 -20.5236 -19.9492 -19.9492 -19.9090 -19.9090 -19.8470 -19.8470 -19.8111 -19.8111 -0.5691 -0.5691 -0.2308 -0.2308 6.0921 6.0921 7.4467 7.4467 7.8153 7.8153 8.6093 8.6093 9.1821 9.1821 10.4568 10.4568 11.5823 11.5823 12.7878 12.7878 14.2114 14.2114 15.2942 15.2942 15.3937 15.3937 15.4767 15.4767 k = 0.4545 0.2624-0.0000 ( 4950 PWs) bands (ev): -43.7914 -43.7914 -43.7783 -43.7783 -20.5566 -20.5566 -20.5243 -20.5243 -19.9497 -19.9497 -19.9100 -19.9100 -19.8475 -19.8475 -19.8111 -19.8111 -0.5565 -0.5565 -0.2147 -0.2147 6.0489 6.0489 7.4290 7.4290 7.8307 7.8307 8.6122 8.6122 9.1741 9.1741 10.4538 10.4538 11.5723 11.5723 12.7685 12.7685 14.2106 14.2106 15.2996 15.2996 15.4170 15.4170 15.5026 15.5026 k = 0.4636 0.2677-0.0000 ( 4952 PWs) bands (ev): -43.7912 -43.7912 -43.7782 -43.7782 -20.5570 -20.5570 -20.5249 -20.5249 -19.9501 -19.9501 -19.9108 -19.9108 -19.8479 -19.8479 -19.8111 -19.8111 -0.5465 -0.5465 -0.2011 -0.2011 6.0132 6.0132 7.4144 7.4144 7.8428 7.8428 8.6155 8.6155 9.1676 9.1676 10.4513 10.4513 11.5641 11.5641 12.7524 12.7524 14.2098 14.2098 15.3040 15.3040 15.4364 15.4364 15.5227 15.5227 k = 0.4727 0.2729-0.0000 ( 4958 PWs) bands (ev): -43.7911 -43.7911 -43.7781 -43.7781 -20.5573 -20.5573 -20.5254 -20.5254 -19.9505 -19.9505 -19.9114 -19.9114 -19.8482 -19.8482 -19.8111 -19.8111 -0.5388 -0.5388 -0.1901 -0.1901 5.9852 5.9852 7.4030 7.4030 7.8519 7.8519 8.6186 8.6186 9.1625 9.1625 10.4494 10.4494 11.5576 11.5576 12.7397 12.7397 14.2092 14.2092 15.3074 15.3074 15.4518 15.4518 15.5375 15.5375 k = 0.4818 0.2782-0.0000 ( 4950 PWs) bands (ev): -43.7910 -43.7910 -43.7780 -43.7780 -20.5575 -20.5575 -20.5257 -20.5257 -19.9507 -19.9507 -19.9118 -19.9118 -19.8484 -19.8484 -19.8112 -19.8112 -0.5333 -0.5333 -0.1821 -0.1821 5.9651 5.9651 7.3948 7.3948 7.8582 7.8582 8.6212 8.6212 9.1588 9.1588 10.4480 10.4480 11.5529 11.5529 12.7305 12.7305 14.2087 14.2087 15.3099 15.3099 15.4630 15.4630 15.5477 15.5477 k = 0.4909 0.2834-0.0000 ( 4948 PWs) bands (ev): -43.7910 -43.7910 -43.7780 -43.7780 -20.5576 -20.5576 -20.5259 -20.5259 -19.9508 -19.9508 -19.9121 -19.9121 -19.8485 -19.8485 -19.8112 -19.8112 -0.5301 -0.5301 -0.1772 -0.1772 5.9530 5.9530 7.3899 7.3899 7.8618 7.8618 8.6228 8.6228 9.1566 9.1566 10.4472 10.4472 11.5500 11.5500 12.7249 12.7249 14.2084 14.2084 15.3113 15.3113 15.4697 15.4697 15.5537 15.5537 k = 0.5000 0.2887-0.0000 ( 4952 PWs) bands (ev): -43.7910 -43.7910 -43.7780 -43.7780 -20.5576 -20.5576 -20.5260 -20.5260 -19.9509 -19.9509 -19.9122 -19.9122 -19.8485 -19.8485 -19.8112 -19.8112 -0.5290 -0.5290 -0.1755 -0.1755 5.9490 5.9490 7.3883 7.3883 7.8630 7.8630 8.6234 8.6234 9.1558 9.1558 10.4470 10.4470 11.5491 11.5491 12.7230 12.7230 14.2082 14.2082 15.3118 15.3118 15.4720 15.4720 15.5556 15.5556 k = 0.5000 0.2887-0.0000 ( 4952 PWs) bands (ev): -43.7910 -43.7910 -43.7780 -43.7780 -20.5576 -20.5576 -20.5260 -20.5260 -19.9509 -19.9509 -19.9122 -19.9122 -19.8485 -19.8485 -19.8112 -19.8112 -0.5290 -0.5290 -0.1755 -0.1755 5.9490 5.9490 7.3883 7.3883 7.8630 7.8630 8.6234 8.6234 9.1558 9.1558 10.4470 10.4470 11.5491 11.5491 12.7230 12.7230 14.2082 14.2082 15.3118 15.3118 15.4720 15.4720 15.5556 15.5556 k = 0.4948 0.2977-0.0000 ( 4952 PWs) bands (ev): -43.7910 -43.7910 -43.7779 -43.7779 -20.5576 -20.5576 -20.5260 -20.5260 -19.9508 -19.9508 -19.9122 -19.9122 -19.8486 -19.8486 -19.8112 -19.8112 -0.5284 -0.5284 -0.1755 -0.1755 5.9502 5.9502 7.3882 7.3882 7.8639 7.8639 8.6229 8.6229 9.1547 9.1547 10.4314 10.4314 11.5630 11.5630 12.7242 12.7242 14.2079 14.2079 15.3093 15.3093 15.4717 15.4717 15.5546 15.5546 k = 0.4896 0.3067-0.0000 ( 4952 PWs) bands (ev): -43.7909 -43.7909 -43.7779 -43.7779 -20.5576 -20.5576 -20.5260 -20.5260 -19.9507 -19.9507 -19.9122 -19.9122 -19.8488 -19.8488 -19.8114 -19.8114 -0.5266 -0.5266 -0.1752 -0.1752 5.9540 5.9540 7.3879 7.3879 7.8665 7.8665 8.6213 8.6213 9.1512 9.1512 10.3871 10.3871 11.6026 11.6026 12.7278 12.7278 14.2069 14.2069 15.3018 15.3018 15.4708 15.4708 15.5514 15.5514 k = 0.4844 0.3157-0.0000 ( 4952 PWs) bands (ev): -43.7909 -43.7909 -43.7779 -43.7779 -20.5576 -20.5576 -20.5261 -20.5261 -19.9505 -19.9505 -19.9122 -19.9122 -19.8492 -19.8492 -19.8116 -19.8116 -0.5235 -0.5235 -0.1748 -0.1748 5.9602 5.9602 7.3873 7.3873 7.8708 7.8708 8.6186 8.6186 9.1455 9.1455 10.3191 10.3191 11.6625 11.6625 12.7338 12.7338 14.2050 14.2050 15.2894 15.2894 15.4696 15.4696 15.5460 15.5460 k = 0.4792 0.3248-0.0000 ( 4952 PWs) bands (ev): -43.7909 -43.7909 -43.7779 -43.7779 -20.5576 -20.5576 -20.5261 -20.5261 -19.9503 -19.9503 -19.9122 -19.9122 -19.8498 -19.8498 -19.8120 -19.8120 -0.5192 -0.5192 -0.1743 -0.1743 5.9689 5.9689 7.3865 7.3865 7.8768 7.8768 8.6149 8.6149 9.1375 9.1375 10.2335 10.2335 11.7372 11.7372 12.7421 12.7421 14.2023 14.2023 15.2722 15.2722 15.4682 15.4682 15.5385 15.5385 k = 0.4740 0.3338-0.0000 ( 4946 PWs) bands (ev): -43.7908 -43.7908 -43.7778 -43.7778 -20.5577 -20.5577 -20.5261 -20.5261 -19.9500 -19.9500 -19.9122 -19.9122 -19.8505 -19.8505 -19.8124 -19.8124 -0.5137 -0.5137 -0.1736 -0.1736 5.9800 5.9800 7.3855 7.3855 7.8844 7.8844 8.6102 8.6102 9.1274 9.1274 10.1350 10.1350 11.8218 11.8218 12.7527 12.7527 14.1986 14.1986 15.2506 15.2506 15.4670 15.4670 15.5287 15.5287 k = 0.4688 0.3428-0.0000 ( 4946 PWs) bands (ev): -43.7908 -43.7908 -43.7778 -43.7778 -20.5577 -20.5577 -20.5262 -20.5262 -19.9496 -19.9496 -19.9122 -19.9122 -19.8513 -19.8513 -19.8130 -19.8130 -0.5070 -0.5070 -0.1727 -0.1727 5.9936 5.9936 7.3842 7.3842 7.8936 7.8936 8.6045 8.6045 9.1154 9.1154 10.0274 10.0274 11.9127 11.9127 12.7656 12.7656 14.1936 14.1936 15.2248 15.2248 15.4663 15.4663 15.5166 15.5166 k = 0.4635 0.3518-0.0000 ( 4946 PWs) bands (ev): -43.7907 -43.7907 -43.7777 -43.7777 -20.5577 -20.5577 -20.5262 -20.5262 -19.9491 -19.9491 -19.9122 -19.9122 -19.8523 -19.8523 -19.8136 -19.8136 -0.4993 -0.4993 -0.1718 -0.1718 6.0097 6.0097 7.3827 7.3827 7.9044 7.9044 8.5979 8.5979 9.1014 9.1014 9.9133 9.9133 12.0076 12.0076 12.7808 12.7808 14.1872 14.1872 15.1952 15.1952 15.4667 15.4667 15.5022 15.5022 k = 0.4583 0.3608-0.0000 ( 4954 PWs) bands (ev): -43.7907 -43.7907 -43.7777 -43.7777 -20.5577 -20.5577 -20.5263 -20.5263 -19.9486 -19.9486 -19.9122 -19.9122 -19.8534 -19.8534 -19.8143 -19.8143 -0.4904 -0.4904 -0.1707 -0.1707 6.0282 6.0282 7.3810 7.3810 7.9167 7.9167 8.5903 8.5903 9.0856 9.0856 9.7946 9.7946 12.1049 12.1049 12.7983 12.7983 14.1792 14.1792 15.1622 15.1622 15.4685 15.4685 15.4854 15.4854 k = 0.4531 0.3699-0.0000 ( 4950 PWs) bands (ev): -43.7906 -43.7906 -43.7776 -43.7776 -20.5578 -20.5578 -20.5264 -20.5264 -19.9480 -19.9480 -19.9122 -19.9122 -19.8546 -19.8546 -19.8151 -19.8151 -0.4805 -0.4805 -0.1695 -0.1695 6.0491 6.0491 7.3790 7.3790 7.9304 7.9304 8.5820 8.5820 9.0683 9.0683 9.6726 9.6726 12.2035 12.2035 12.8178 12.8178 14.1693 14.1693 15.1262 15.1262 15.4662 15.4662 15.4724 15.4724 k = 0.4479 0.3789-0.0000 ( 4944 PWs) bands (ev): -43.7905 -43.7905 -43.7775 -43.7775 -20.5578 -20.5578 -20.5265 -20.5265 -19.9474 -19.9474 -19.9123 -19.9123 -19.8559 -19.8559 -19.8159 -19.8159 -0.4696 -0.4696 -0.1683 -0.1683 6.0723 6.0723 7.3768 7.3768 7.9455 7.9455 8.5729 8.5729 9.0495 9.0495 9.5484 9.5484 12.3026 12.3026 12.8395 12.8395 14.1575 14.1575 15.0876 15.0876 15.4445 15.4445 15.4785 15.4785 k = 0.4427 0.3879-0.0000 ( 4948 PWs) bands (ev): -43.7904 -43.7904 -43.7774 -43.7774 -20.5579 -20.5579 -20.5266 -20.5266 -19.9467 -19.9467 -19.9123 -19.9123 -19.8574 -19.8574 -19.8168 -19.8168 -0.4578 -0.4578 -0.1670 -0.1670 6.0980 6.0980 7.3743 7.3743 7.9618 7.9618 8.5631 8.5631 9.0296 9.0296 9.4227 9.4227 12.4018 12.4018 12.8633 12.8633 14.1435 14.1435 15.0470 15.0470 15.4205 15.4205 15.4874 15.4874 k = 0.4375 0.3969-0.0000 ( 4949 PWs) bands (ev): -43.7903 -43.7903 -43.7773 -43.7773 -20.5579 -20.5579 -20.5267 -20.5267 -19.9460 -19.9460 -19.9123 -19.9123 -19.8589 -19.8589 -19.8177 -19.8177 -0.4451 -0.4451 -0.1657 -0.1657 6.1259 6.1259 7.3716 7.3716 7.9793 7.9793 8.5526 8.5526 9.0086 9.0086 9.2962 9.2962 12.5008 12.5008 12.8889 12.8889 14.1274 14.1274 15.0047 15.0047 15.3939 15.3939 15.4994 15.4994 k = 0.4323 0.4059-0.0000 ( 4949 PWs) bands (ev): -43.7902 -43.7902 -43.7772 -43.7772 -20.5580 -20.5580 -20.5268 -20.5268 -19.9452 -19.9452 -19.9124 -19.9124 -19.8605 -19.8605 -19.8187 -19.8187 -0.4316 -0.4316 -0.1643 -0.1643 6.1562 6.1562 7.3686 7.3686 7.9978 7.9978 8.5416 8.5416 8.9867 8.9867 9.1696 9.1696 12.5993 12.5993 12.9165 12.9165 14.1091 14.1091 14.9613 14.9613 15.3650 15.3650 15.5148 15.5148 k = 0.4271 0.4150-0.0000 ( 4945 PWs) bands (ev): -43.7901 -43.7901 -43.7771 -43.7771 -20.5580 -20.5580 -20.5270 -20.5270 -19.9443 -19.9443 -19.9124 -19.9124 -19.8622 -19.8622 -19.8197 -19.8197 -0.4175 -0.4175 -0.1630 -0.1630 6.1887 6.1887 7.3654 7.3654 8.0173 8.0173 8.5300 8.5300 8.9639 8.9639 9.0435 9.0435 12.6972 12.6972 12.9458 12.9458 14.0886 14.0886 14.9170 14.9170 15.3336 15.3336 15.5338 15.5338 k = 0.4219 0.4240-0.0000 ( 4949 PWs) bands (ev): -43.7900 -43.7900 -43.7770 -43.7770 -20.5581 -20.5581 -20.5271 -20.5271 -19.9434 -19.9434 -19.9125 -19.9125 -19.8640 -19.8640 -19.8207 -19.8207 -0.4027 -0.4027 -0.1617 -0.1617 6.2235 6.2235 7.3619 7.3619 8.0375 8.0375 8.5180 8.5180 8.9143 8.9143 8.9446 8.9446 12.7945 12.7945 12.9767 12.9767 14.0660 14.0660 14.8724 14.8724 15.2999 15.2999 15.5563 15.5563 k = 0.4167 0.4330-0.0000 ( 4949 PWs) bands (ev): -43.7899 -43.7899 -43.7769 -43.7769 -20.5582 -20.5582 -20.5272 -20.5272 -19.9425 -19.9425 -19.9126 -19.9126 -19.8658 -19.8658 -19.8216 -19.8216 -0.3873 -0.3873 -0.1605 -0.1605 6.2604 6.2604 7.3582 7.3582 8.0584 8.0584 8.5055 8.5055 8.7916 8.7916 8.9198 8.9198 12.8912 12.8912 13.0091 13.0091 14.0414 14.0414 14.8276 14.8276 15.2638 15.2638 15.5825 15.5825 k = 0.4115 0.4420-0.0000 ( 4949 PWs) bands (ev): -43.7897 -43.7897 -43.7768 -43.7768 -20.5583 -20.5583 -20.5274 -20.5274 -19.9416 -19.9416 -19.9128 -19.9128 -19.8677 -19.8677 -19.8226 -19.8226 -0.3716 -0.3716 -0.1594 -0.1594 6.2995 6.2995 7.3543 7.3543 8.0799 8.0799 8.4923 8.4923 8.6690 8.6690 8.8969 8.8969 12.9871 12.9871 13.0429 13.0429 14.0152 14.0152 14.7831 14.7831 15.2255 15.2255 15.6119 15.6119 k = 0.4062 0.4511-0.0000 ( 4947 PWs) bands (ev): -43.7896 -43.7896 -43.7767 -43.7767 -20.5584 -20.5584 -20.5276 -20.5276 -19.9406 -19.9406 -19.9129 -19.9129 -19.8695 -19.8695 -19.8236 -19.8236 -0.3555 -0.3555 -0.1584 -0.1584 6.3407 6.3407 7.3502 7.3502 8.1017 8.1017 8.4764 8.4764 8.5505 8.5505 8.8744 8.8744 13.0771 13.0771 13.0831 13.0831 13.9873 13.9873 14.7391 14.7391 15.1850 15.1850 15.6221 15.6221 k = 0.4010 0.4601-0.0000 ( 4955 PWs) bands (ev): -43.7895 -43.7895 -43.7766 -43.7766 -20.5584 -20.5584 -20.5277 -20.5277 -19.9396 -19.9396 -19.9130 -19.9130 -19.8714 -19.8714 -19.8245 -19.8245 -0.3393 -0.3393 -0.1575 -0.1575 6.3838 6.3838 7.3459 7.3459 8.1237 8.1237 8.4176 8.4176 8.4769 8.4769 8.8524 8.8524 13.1136 13.1136 13.1772 13.1772 13.9582 13.9582 14.6958 14.6958 15.1424 15.1424 15.6138 15.6138 k = 0.3958 0.4691-0.0000 ( 4951 PWs) bands (ev): -43.7894 -43.7894 -43.7765 -43.7765 -20.5585 -20.5585 -20.5279 -20.5279 -19.9386 -19.9386 -19.9132 -19.9132 -19.8733 -19.8733 -19.8254 -19.8254 -0.3230 -0.3230 -0.1569 -0.1569 6.4290 6.4290 7.3415 7.3415 8.1457 8.1457 8.3049 8.3049 8.4596 8.4596 8.8312 8.8312 13.1503 13.1503 13.2712 13.2712 13.9281 13.9281 14.6535 14.6535 15.0977 15.0977 15.6048 15.6048 k = 0.3906 0.4781-0.0000 ( 4955 PWs) bands (ev): -43.7893 -43.7893 -43.7764 -43.7764 -20.5586 -20.5586 -20.5281 -20.5281 -19.9376 -19.9376 -19.9134 -19.9134 -19.8751 -19.8751 -19.8262 -19.8262 -0.3067 -0.3067 -0.1564 -0.1564 6.4759 6.4759 7.3370 7.3370 8.1676 8.1676 8.1911 8.1911 8.4462 8.4462 8.8110 8.8110 13.1876 13.1876 13.3645 13.3645 13.8971 13.8971 14.6123 14.6123 15.0510 15.0510 15.5955 15.5955 k = 0.3854 0.4871-0.0000 ( 4953 PWs) bands (ev): -43.7892 -43.7892 -43.7763 -43.7763 -20.5587 -20.5587 -20.5283 -20.5283 -19.9366 -19.9366 -19.9136 -19.9136 -19.8769 -19.8769 -19.8270 -19.8270 -0.2907 -0.2907 -0.1563 -0.1563 6.5247 6.5247 7.3324 7.3324 8.0798 8.0798 8.1891 8.1891 8.4336 8.4336 8.7918 8.7918 13.2252 13.2252 13.4572 13.4572 13.8657 13.8657 14.5723 14.5723 15.0025 15.0025 15.5861 15.5861 k = 0.3802 0.4962-0.0000 ( 4957 PWs) bands (ev): -43.7891 -43.7891 -43.7762 -43.7762 -20.5588 -20.5588 -20.5285 -20.5285 -19.9357 -19.9357 -19.9138 -19.9138 -19.8786 -19.8786 -19.8277 -19.8277 -0.2750 -0.2750 -0.1564 -0.1564 6.5750 6.5750 7.3279 7.3279 7.9716 7.9716 8.2101 8.2101 8.4216 8.4216 8.7739 8.7739 13.2629 13.2629 13.5491 13.5491 13.8339 13.8339 14.5338 14.5338 14.9523 14.9523 15.5766 15.5766 k = 0.3750 0.5052-0.0000 ( 4959 PWs) bands (ev): -43.7890 -43.7890 -43.7761 -43.7761 -20.5589 -20.5589 -20.5286 -20.5286 -19.9348 -19.9348 -19.9140 -19.9140 -19.8802 -19.8802 -19.8283 -19.8283 -0.2598 -0.2598 -0.1568 -0.1568 6.6268 6.6268 7.3234 7.3234 7.8673 7.8673 8.2303 8.2303 8.4100 8.4100 8.7575 8.7575 13.3004 13.3004 13.6400 13.6400 13.8024 13.8024 14.4969 14.4969 14.9005 14.9005 15.5674 15.5674 k = 0.3698 0.5142-0.0000 ( 4963 PWs) bands (ev): -43.7889 -43.7889 -43.7760 -43.7760 -20.5590 -20.5590 -20.5288 -20.5288 -19.9339 -19.9339 -19.9142 -19.9142 -19.8817 -19.8817 -19.8289 -19.8289 -0.2452 -0.2452 -0.1575 -0.1575 6.6799 6.6799 7.3191 7.3191 7.7671 7.7671 8.2495 8.2495 8.3989 8.3989 8.7426 8.7426 13.3374 13.3374 13.7274 13.7274 13.7735 13.7735 14.4616 14.4616 14.8473 14.8473 15.5585 15.5585 k = 0.3646 0.5232-0.0000 ( 4967 PWs) bands (ev): -43.7888 -43.7888 -43.7759 -43.7759 -20.5591 -20.5591 -20.5289 -20.5289 -19.9331 -19.9331 -19.9144 -19.9144 -19.8831 -19.8831 -19.8294 -19.8294 -0.2315 -0.2315 -0.1587 -0.1587 6.7337 6.7337 7.3150 7.3150 7.6718 7.6718 8.2676 8.2676 8.3884 8.3884 8.7295 8.7295 13.3738 13.3738 13.7358 13.7358 13.8230 13.8230 14.4280 14.4280 14.7930 14.7930 15.5502 15.5502 k = 0.3594 0.5322-0.0000 ( 4967 PWs) bands (ev): -43.7888 -43.7888 -43.7758 -43.7758 -20.5592 -20.5592 -20.5291 -20.5291 -19.9324 -19.9324 -19.9146 -19.9146 -19.8842 -19.8842 -19.8298 -19.8298 -0.2188 -0.2188 -0.1602 -0.1602 6.7879 6.7879 7.3112 7.3112 7.5821 7.5821 8.2842 8.2842 8.3786 8.3786 8.7181 8.7181 13.4091 13.4091 13.7059 13.7059 13.9098 13.9098 14.3962 14.3962 14.7379 14.7379 15.5426 15.5426 k = 0.3542 0.5413-0.0000 ( 4971 PWs) bands (ev): -43.7887 -43.7887 -43.7758 -43.7758 -20.5593 -20.5593 -20.5292 -20.5292 -19.9318 -19.9318 -19.9148 -19.9148 -19.8853 -19.8853 -19.8302 -19.8302 -0.2073 -0.2073 -0.1621 -0.1621 6.8414 6.8414 7.3077 7.3077 7.4992 7.4992 8.2991 8.2991 8.3695 8.3695 8.7087 8.7087 13.4431 13.4431 13.6757 13.6757 13.9955 13.9955 14.3663 14.3663 14.6826 14.6826 15.5361 15.5361 k = 0.3490 0.5503-0.0000 ( 4967 PWs) bands (ev): -43.7886 -43.7886 -43.7757 -43.7757 -20.5593 -20.5593 -20.5293 -20.5293 -19.9314 -19.9314 -19.9150 -19.9150 -19.8861 -19.8861 -19.8305 -19.8305 -0.1972 -0.1972 -0.1645 -0.1645 6.8926 6.8926 7.3046 7.3046 7.4251 7.4251 8.3121 8.3121 8.3614 8.3614 8.7013 8.7013 13.4757 13.4757 13.6461 13.6461 14.0782 14.0782 14.3385 14.3385 14.6282 14.6282 15.5307 15.5307 k = 0.3438 0.5593-0.0000 ( 4967 PWs) bands (ev): -43.7886 -43.7886 -43.7757 -43.7757 -20.5594 -20.5594 -20.5294 -20.5294 -19.9310 -19.9310 -19.9151 -19.9151 -19.8867 -19.8867 -19.8306 -19.8306 -0.1886 -0.1886 -0.1672 -0.1672 6.9381 6.9381 7.3016 7.3016 7.3636 7.3636 8.3226 8.3226 8.3545 8.3545 8.6959 8.6959 13.5064 13.5064 13.6175 13.6175 14.1552 14.1552 14.3130 14.3130 14.5770 14.5770 15.5267 15.5267 k = 0.3385 0.5683-0.0000 ( 4971 PWs) bands (ev): -43.7886 -43.7886 -43.7757 -43.7757 -20.5594 -20.5594 -20.5295 -20.5295 -19.9308 -19.9308 -19.9152 -19.9152 -19.8870 -19.8870 -19.8308 -19.8308 -0.1822 -0.1822 -0.1700 -0.1700 6.9717 6.9717 7.2966 7.2966 7.3235 7.3235 8.3299 8.3299 8.3495 8.3495 8.6926 8.6926 13.5351 13.5351 13.5901 13.5901 14.2192 14.2192 14.2914 14.2914 14.5349 14.5349 15.5243 15.5243 k = 0.3333 0.5774-0.0000 ( 4959 PWs) bands (ev): -43.7886 -43.7886 -43.7757 -43.7757 -20.5594 -20.5594 -20.5295 -20.5295 -19.9308 -19.9308 -19.9152 -19.9152 -19.8871 -19.8871 -19.8308 -19.8308 -0.1794 -0.1794 -0.1716 -0.1716 6.9843 6.9843 7.2907 7.2907 7.3128 7.3128 8.3325 8.3325 8.3478 8.3478 8.6915 8.6915 13.5567 13.5567 13.5690 13.5690 14.2469 14.2469 14.2824 14.2824 14.5162 14.5162 15.5234 15.5234 k = 0.3333 0.5774-0.0000 ( 4959 PWs) bands (ev): -43.7886 -43.7886 -43.7757 -43.7757 -20.5594 -20.5594 -20.5295 -20.5295 -19.9308 -19.9308 -19.9152 -19.9152 -19.8871 -19.8871 -19.8308 -19.8308 -0.1794 -0.1794 -0.1716 -0.1716 6.9843 6.9843 7.2907 7.2907 7.3128 7.3128 8.3325 8.3325 8.3478 8.3478 8.6915 8.6915 13.5567 13.5567 13.5690 13.5690 14.2469 14.2469 14.2824 14.2824 14.5162 14.5162 15.5234 15.5234 k = 0.3281 0.5683-0.0000 ( 4971 PWs) bands (ev): -43.7886 -43.7886 -43.7757 -43.7757 -20.5594 -20.5594 -20.5295 -20.5295 -19.9308 -19.9308 -19.9151 -19.9151 -19.8870 -19.8870 -19.8308 -19.8308 -0.1817 -0.1817 -0.1706 -0.1706 6.9725 6.9725 7.2966 7.2966 7.3228 7.3228 8.3309 8.3309 8.3485 8.3485 8.6926 8.6926 13.5367 13.5367 13.5886 13.5886 14.2342 14.2342 14.2733 14.2733 14.5379 14.5379 15.5243 15.5243 k = 0.3229 0.5593-0.0000 ( 4971 PWs) bands (ev): -43.7886 -43.7886 -43.7757 -43.7757 -20.5593 -20.5593 -20.5294 -20.5294 -19.9310 -19.9310 -19.9151 -19.9151 -19.8867 -19.8867 -19.8307 -19.8307 -0.1863 -0.1863 -0.1700 -0.1700 6.9437 6.9437 7.3021 7.3021 7.3582 7.3582 8.3283 8.3283 8.3485 8.3485 8.6960 8.6960 13.5129 13.5129 13.6112 13.6112 14.2109 14.2109 14.2422 14.2422 14.5920 14.5920 15.5267 15.5267 k = 0.3177 0.5503-0.0000 ( 4965 PWs) bands (ev): -43.7887 -43.7887 -43.7757 -43.7757 -20.5593 -20.5593 -20.5293 -20.5293 -19.9313 -19.9313 -19.9149 -19.9149 -19.8861 -19.8861 -19.8305 -19.8305 -0.1919 -0.1919 -0.1713 -0.1713 6.9081 6.9081 7.3062 7.3062 7.4103 7.4103 8.3259 8.3259 8.3464 8.3464 8.7015 8.7015 13.4903 13.4903 13.6322 13.6322 14.1701 14.1701 14.2144 14.2144 14.6600 14.6600 15.5306 15.5306 k = 0.3125 0.5413-0.0000 ( 4973 PWs) bands (ev): -43.7887 -43.7887 -43.7758 -43.7758 -20.5592 -20.5592 -20.5291 -20.5291 -19.9317 -19.9317 -19.9146 -19.9146 -19.8853 -19.8853 -19.8303 -19.8303 -0.1982 -0.1982 -0.1749 -0.1749 6.8717 6.8717 7.3110 7.3110 7.4709 7.4709 8.3239 8.3239 8.3420 8.3420 8.7093 8.7093 13.4691 13.4691 13.6515 13.6515 14.1139 14.1139 14.1967 14.1967 14.7329 14.7329 15.5358 15.5358 k = 0.3073 0.5322-0.0000 ( 4961 PWs) bands (ev): -43.7888 -43.7888 -43.7759 -43.7759 -20.5591 -20.5591 -20.5289 -20.5289 -19.9321 -19.9321 -19.9143 -19.9143 -19.8844 -19.8844 -19.8300 -19.8300 -0.2052 -0.2052 -0.1810 -0.1810 6.8379 6.8379 7.3171 7.3171 7.5364 7.5364 8.3213 8.3213 8.3362 8.3362 8.7194 8.7194 13.4494 13.4494 13.6693 13.6693 14.0521 14.0521 14.1830 14.1830 14.8070 14.8070 15.5419 15.5419 k = 0.3021 0.5232-0.0000 ( 4967 PWs) bands (ev): -43.7889 -43.7889 -43.7760 -43.7760 -20.5589 -20.5589 -20.5286 -20.5286 -19.9326 -19.9326 -19.9139 -19.9139 -19.8833 -19.8833 -19.8296 -19.8296 -0.2128 -0.2128 -0.1896 -0.1896 6.8083 6.8083 7.3248 7.3248 7.6050 7.6050 8.3142 8.3142 8.3328 8.3328 8.7317 8.7317 13.4311 13.4311 13.6858 13.6858 13.9877 13.9877 14.1718 14.1718 14.8806 14.8806 15.5486 15.5486 k = 0.2969 0.5142-0.0000 ( 4961 PWs) bands (ev): -43.7890 -43.7890 -43.7761 -43.7761 -20.5587 -20.5587 -20.5283 -20.5283 -19.9331 -19.9331 -19.9134 -19.9134 -19.8820 -19.8820 -19.8292 -19.8292 -0.2212 -0.2212 -0.2008 -0.2008 6.7839 6.7839 7.3341 7.3341 7.6758 7.6758 8.3008 8.3008 8.3335 8.3335 8.7462 8.7462 13.4145 13.4145 13.7012 13.7012 13.9219 13.9219 14.1627 14.1627 14.9528 14.9528 15.5552 15.5552 k = 0.2917 0.5052-0.0000 ( 4965 PWs) bands (ev): -43.7891 -43.7891 -43.7762 -43.7762 -20.5585 -20.5585 -20.5279 -20.5279 -19.9336 -19.9336 -19.9128 -19.9128 -19.8806 -19.8806 -19.8288 -19.8288 -0.2303 -0.2303 -0.2146 -0.2146 6.7651 6.7651 7.3451 7.3451 7.7482 7.7482 8.2827 8.2827 8.3368 8.3368 8.7630 8.7630 13.3995 13.3995 13.7157 13.7157 13.8556 13.8556 14.1555 14.1555 15.0230 15.0230 15.5611 15.5611 k = 0.2865 0.4962-0.0000 ( 4957 PWs) bands (ev): -43.7893 -43.7893 -43.7764 -43.7764 -20.5582 -20.5582 -20.5274 -20.5274 -19.9341 -19.9341 -19.9121 -19.9121 -19.8791 -19.8791 -19.8283 -19.8283 -0.2405 -0.2405 -0.2307 -0.2307 6.7523 6.7523 7.3580 7.3580 7.8217 7.8217 8.2608 8.2608 8.3418 8.3418 8.7821 8.7821 13.3861 13.3861 13.7283 13.7283 13.7902 13.7902 14.1502 14.1502 15.0907 15.0907 15.5652 15.5652 k = 0.2812 0.4871-0.0000 ( 4967 PWs) bands (ev): -43.7895 -43.7895 -43.7765 -43.7765 -20.5579 -20.5579 -20.5268 -20.5268 -19.9346 -19.9346 -19.9113 -19.9113 -19.8774 -19.8774 -19.8278 -19.8278 -0.2541 -0.2541 -0.2468 -0.2468 6.7458 6.7458 7.3729 7.3729 7.8961 7.8961 8.2351 8.2351 8.3485 8.3485 8.8034 8.8034 13.3743 13.3743 13.7127 13.7127 13.7526 13.7526 14.1468 14.1468 15.1556 15.1556 15.5658 15.5658 k = 0.2760 0.4781-0.0000 ( 4975 PWs) bands (ev): -43.7897 -43.7897 -43.7767 -43.7767 -20.5575 -20.5575 -20.5262 -20.5262 -19.9351 -19.9351 -19.9104 -19.9104 -19.8757 -19.8757 -19.8273 -19.8273 -0.2749 -0.2749 -0.2592 -0.2592 6.7456 6.7456 7.3897 7.3897 7.9709 7.9709 8.2061 8.2061 8.3568 8.3568 8.8269 8.8269 13.3642 13.3642 13.6492 13.6492 13.7631 13.7631 14.1450 14.1450 15.2173 15.2173 15.5597 15.5597 k = 0.2708 0.4691-0.0000 ( 4971 PWs) bands (ev): -43.7899 -43.7899 -43.7769 -43.7769 -20.5571 -20.5571 -20.5255 -20.5255 -19.9355 -19.9355 -19.9094 -19.9094 -19.8739 -19.8739 -19.8267 -19.8267 -0.2995 -0.2995 -0.2709 -0.2709 6.7519 6.7519 7.4086 7.4086 8.0454 8.0454 8.1743 8.1743 8.3667 8.3667 8.8527 8.8527 13.3558 13.3558 13.5822 13.5822 13.7775 13.7775 14.1450 14.1450 15.2753 15.2753 15.5427 15.5427 k = 0.2656 0.4601-0.0000 ( 4971 PWs) bands (ev): -43.7901 -43.7901 -43.7771 -43.7771 -20.5566 -20.5566 -20.5247 -20.5247 -19.9358 -19.9358 -19.9082 -19.9082 -19.8720 -19.8720 -19.8261 -19.8261 -0.3271 -0.3271 -0.2831 -0.2831 6.7645 6.7645 7.4296 7.4296 8.1108 8.1108 8.1484 8.1484 8.3781 8.3781 8.8806 8.8806 13.3490 13.3490 13.5149 13.5149 13.7931 13.7931 14.1466 14.1466 15.3292 15.3292 15.5116 15.5116 k = 0.2604 0.4511-0.0000 ( 4971 PWs) bands (ev): -43.7904 -43.7904 -43.7774 -43.7774 -20.5561 -20.5561 -20.5238 -20.5238 -19.9361 -19.9361 -19.9069 -19.9069 -19.8701 -19.8701 -19.8255 -19.8255 -0.3573 -0.3573 -0.2957 -0.2957 6.7836 6.7836 7.4528 7.4528 8.0926 8.0926 8.2029 8.2029 8.3911 8.3911 8.9108 8.9108 13.3439 13.3439 13.4479 13.4479 13.8096 13.8096 14.1497 14.1497 15.3786 15.3786 15.4685 15.4685 k = 0.2552 0.4420-0.0000 ( 4963 PWs) bands (ev): -43.7907 -43.7907 -43.7777 -43.7777 -20.5556 -20.5556 -20.5229 -20.5229 -19.9363 -19.9363 -19.9056 -19.9056 -19.8681 -19.8681 -19.8249 -19.8249 -0.3901 -0.3901 -0.3088 -0.3088 6.8090 6.8090 7.4781 7.4781 8.0512 8.0512 8.2772 8.2772 8.4058 8.4058 8.9432 8.9432 13.3402 13.3402 13.3814 13.3814 13.8271 13.8271 14.1543 14.1543 15.4179 15.4179 15.4232 15.4232 k = 0.2500 0.4330-0.0000 ( 4967 PWs) bands (ev): -43.7910 -43.7910 -43.7780 -43.7780 -20.5550 -20.5550 -20.5218 -20.5218 -19.9364 -19.9364 -19.9041 -19.9041 -19.8660 -19.8660 -19.8242 -19.8242 -0.4253 -0.4253 -0.3224 -0.3224 6.8407 6.8407 7.5055 7.5055 8.0058 8.0058 8.3523 8.3523 8.4221 8.4221 8.9779 8.9779 13.3142 13.3142 13.3394 13.3394 13.8455 13.8455 14.1603 14.1603 15.3637 15.3637 15.4615 15.4615 k = 0.2448 0.4240-0.0000 ( 4969 PWs) bands (ev): -43.7913 -43.7913 -43.7783 -43.7783 -20.5543 -20.5543 -20.5207 -20.5207 -19.9365 -19.9365 -19.9025 -19.9025 -19.8639 -19.8639 -19.8236 -19.8236 -0.4628 -0.4628 -0.3365 -0.3365 6.8785 6.8785 7.5351 7.5351 7.9573 7.9573 8.4272 8.4272 8.4400 8.4400 9.0147 9.0147 13.2491 13.2491 13.3388 13.3388 13.8649 13.8649 14.1675 14.1675 15.3073 15.3073 15.4934 15.4934 k = 0.2396 0.4150-0.0000 ( 4965 PWs) bands (ev): -43.7916 -43.7916 -43.7786 -43.7786 -20.5536 -20.5536 -20.5195 -20.5195 -19.9365 -19.9365 -19.9007 -19.9007 -19.8618 -19.8618 -19.8229 -19.8229 -0.5024 -0.5024 -0.3511 -0.3511 6.9224 6.9224 7.5669 7.5669 7.9061 7.9061 8.4595 8.4595 8.5018 8.5018 9.0537 9.0537 13.1844 13.1844 13.3400 13.3400 13.8852 13.8852 14.1759 14.1759 15.2498 15.2498 15.5177 15.5177 k = 0.2344 0.4059-0.0000 ( 4957 PWs) bands (ev): -43.7920 -43.7920 -43.7789 -43.7789 -20.5529 -20.5529 -20.5182 -20.5182 -19.9364 -19.9364 -19.8989 -19.8989 -19.8596 -19.8596 -19.8222 -19.8222 -0.5439 -0.5439 -0.3661 -0.3661 6.9721 6.9721 7.6008 7.6008 7.8523 7.8523 8.4807 8.4807 8.5755 8.5755 9.0949 9.0949 13.1205 13.1205 13.3429 13.3429 13.9063 13.9063 14.1854 14.1854 15.1918 15.1918 15.5334 15.5334 k = 0.2292 0.3969-0.0000 ( 4957 PWs) bands (ev): -43.7924 -43.7924 -43.7793 -43.7793 -20.5521 -20.5521 -20.5168 -20.5168 -19.9362 -19.9362 -19.8969 -19.8969 -19.8574 -19.8574 -19.8215 -19.8215 -0.5873 -0.5873 -0.3815 -0.3815 7.0276 7.0276 7.6366 7.6366 7.7965 7.7965 8.5035 8.5035 8.6483 8.6483 9.1383 9.1383 13.0575 13.0575 13.3473 13.3473 13.9281 13.9281 14.1958 14.1958 15.1338 15.1338 15.5395 15.5395 k = 0.2240 0.3879-0.0000 ( 4963 PWs) bands (ev): -43.7928 -43.7928 -43.7797 -43.7797 -20.5513 -20.5513 -20.5154 -20.5154 -19.9360 -19.9360 -19.8949 -19.8949 -19.8551 -19.8551 -19.8209 -19.8209 -0.6323 -0.6323 -0.3972 -0.3972 7.0886 7.0886 7.6739 7.6739 7.7393 7.7393 8.5281 8.5281 8.7200 8.7200 9.1839 9.1839 12.9954 12.9954 13.3531 13.3531 13.9503 13.9503 14.2069 14.2069 15.0762 15.0762 15.5355 15.5355 k = 0.2188 0.3789-0.0000 ( 4965 PWs) bands (ev): -43.7932 -43.7932 -43.7801 -43.7801 -20.5505 -20.5505 -20.5138 -20.5138 -19.9357 -19.9357 -19.8927 -19.8927 -19.8528 -19.8528 -19.8202 -19.8202 -0.6788 -0.6788 -0.4133 -0.4133 7.1550 7.1550 7.6751 7.6751 7.7183 7.7183 8.5542 8.5542 8.7904 8.7904 9.2316 9.2316 12.9345 12.9345 13.3602 13.3602 13.9727 13.9727 14.2186 14.2186 15.0192 15.0192 15.5211 15.5211 k = 0.2135 0.3699-0.0000 ( 4965 PWs) bands (ev): -43.7936 -43.7936 -43.7805 -43.7805 -20.5496 -20.5496 -20.5122 -20.5122 -19.9353 -19.9353 -19.8904 -19.8904 -19.8504 -19.8504 -19.8195 -19.8195 -0.7266 -0.7266 -0.4297 -0.4297 7.2266 7.2266 7.6153 7.6153 7.7588 7.7588 8.5821 8.5821 8.8594 8.8594 9.2815 9.2815 12.8747 12.8747 13.3687 13.3687 13.9951 13.9951 14.2307 14.2307 14.9631 14.9631 15.4970 15.4970 k = 0.2083 0.3608-0.0000 ( 4967 PWs) bands (ev): -43.7941 -43.7941 -43.7809 -43.7809 -20.5487 -20.5487 -20.5106 -20.5106 -19.9349 -19.9349 -19.8880 -19.8880 -19.8481 -19.8481 -19.8188 -19.8188 -0.7755 -0.7755 -0.4463 -0.4463 7.3031 7.3031 7.5526 7.5526 7.8027 7.8027 8.6115 8.6115 8.9268 8.9268 9.3335 9.3335 12.8161 12.8161 13.3785 13.3785 14.0169 14.0169 14.2431 14.2431 14.9084 14.9084 15.4643 15.4643 k = 0.2031 0.3518-0.0000 ( 4953 PWs) bands (ev): -43.7945 -43.7945 -43.7814 -43.7814 -20.5477 -20.5477 -20.5088 -20.5088 -19.9344 -19.9344 -19.8855 -19.8855 -19.8456 -19.8456 -19.8181 -19.8181 -0.8253 -0.8253 -0.4631 -0.4631 7.3844 7.3844 7.4885 7.4885 7.8488 7.8488 8.6426 8.6426 8.9925 8.9925 9.3876 9.3876 12.7588 12.7588 13.3893 13.3893 14.0377 14.0377 14.2555 14.2555 14.8556 14.8556 15.4244 15.4244 k = 0.1979 0.3428-0.0000 ( 4955 PWs) bands (ev): -43.7950 -43.7950 -43.7818 -43.7818 -20.5467 -20.5467 -20.5070 -20.5070 -19.9338 -19.9338 -19.8829 -19.8829 -19.8432 -19.8432 -19.8174 -19.8174 -0.8759 -0.8759 -0.4801 -0.4801 7.4234 7.4234 7.4703 7.4703 7.8967 7.8967 8.6753 8.6753 9.0562 9.0562 9.4439 9.4439 12.7027 12.7027 13.4013 13.4013 14.0569 14.0569 14.2676 14.2676 14.8051 14.8051 15.3785 15.3785 k = 0.1927 0.3338-0.0000 ( 4959 PWs) bands (ev): -43.7955 -43.7955 -43.7823 -43.7823 -20.5457 -20.5457 -20.5052 -20.5052 -19.9332 -19.9332 -19.8802 -19.8802 -19.8407 -19.8407 -19.8168 -19.8168 -0.9272 -0.9272 -0.4973 -0.4973 7.3575 7.3575 7.5606 7.5606 7.9464 7.9464 8.7096 8.7096 9.1179 9.1179 9.5022 9.5022 12.6481 12.6481 13.4142 13.4142 14.0737 14.0737 14.2793 14.2793 14.7578 14.7578 15.3280 15.3280 k = 0.1875 0.3248-0.0000 ( 4967 PWs) bands (ev): -43.7960 -43.7960 -43.7828 -43.7828 -20.5447 -20.5447 -20.5033 -20.5033 -19.9325 -19.9325 -19.8774 -19.8774 -19.8382 -19.8382 -19.8161 -19.8161 -0.9788 -0.9788 -0.5145 -0.5145 7.2911 7.2911 7.6549 7.6549 7.9978 7.9978 8.7454 8.7454 9.1774 9.1774 9.5626 9.5626 12.5948 12.5948 13.4280 13.4280 14.0872 14.0872 14.2902 14.2902 14.7145 14.7145 15.2739 15.2739 k = 0.1823 0.3157-0.0000 ( 4963 PWs) bands (ev): -43.7965 -43.7965 -43.7833 -43.7833 -20.5437 -20.5437 -20.5014 -20.5014 -19.9318 -19.9318 -19.8746 -19.8746 -19.8357 -19.8357 -19.8155 -19.8155 -1.0308 -1.0308 -0.5318 -0.5318 7.2244 7.2244 7.7532 7.7532 8.0508 8.0508 8.7828 8.7828 9.2347 9.2347 9.6249 9.6249 12.5429 12.5429 13.4425 13.4425 14.0963 14.0963 14.3001 14.3001 14.6764 14.6764 15.2170 15.2170 k = 0.1771 0.3067-0.0000 ( 4963 PWs) bands (ev): -43.7971 -43.7971 -43.7838 -43.7838 -20.5427 -20.5427 -20.4994 -20.4994 -19.9310 -19.9310 -19.8716 -19.8716 -19.8331 -19.8331 -19.8148 -19.8148 -1.0828 -1.0828 -0.5491 -0.5491 7.1575 7.1575 7.8552 7.8552 8.1053 8.1053 8.8216 8.8216 9.2896 9.2896 9.6893 9.6893 12.4925 12.4925 13.4576 13.4576 14.0998 14.0998 14.3086 14.3086 14.6444 14.6444 15.1582 15.1582 k = 0.1719 0.2977-0.0000 ( 4951 PWs) bands (ev): -43.7976 -43.7976 -43.7843 -43.7843 -20.5416 -20.5416 -20.4974 -20.4974 -19.9302 -19.9302 -19.8687 -19.8687 -19.8305 -19.8305 -19.8142 -19.8142 -1.1348 -1.1348 -0.5664 -0.5664 7.0906 7.0906 7.9606 7.9606 8.1613 8.1613 8.8619 8.8619 9.3421 9.3421 9.7555 9.7555 12.4436 12.4436 13.4732 13.4732 14.0965 14.0965 14.3155 14.3155 14.6197 14.6197 15.0980 15.0980 k = 0.1667 0.2887-0.0000 ( 4951 PWs) bands (ev): -43.7981 -43.7981 -43.7848 -43.7848 -20.5406 -20.5406 -20.4954 -20.4954 -19.9294 -19.9294 -19.8656 -19.8656 -19.8279 -19.8279 -19.8135 -19.8135 -1.1867 -1.1867 -0.5836 -0.5836 7.0240 7.0240 8.0692 8.0692 8.2185 8.2185 8.9037 8.9037 9.3921 9.3921 9.8236 9.8236 12.3961 12.3961 13.4890 13.4890 14.0859 14.0859 14.3205 14.3205 14.6029 14.6029 15.0369 15.0369 k = 0.1615 0.2797-0.0000 ( 4955 PWs) bands (ev): -43.7987 -43.7987 -43.7853 -43.7853 -20.5396 -20.5396 -20.4934 -20.4934 -19.9285 -19.9285 -19.8625 -19.8625 -19.8253 -19.8253 -19.8129 -19.8129 -1.2382 -1.2382 -0.6007 -0.6007 6.9578 6.9578 8.1807 8.1807 8.2770 8.2770 8.9468 8.9468 9.4397 9.4397 9.8935 9.8935 12.3500 12.3500 13.5050 13.5050 14.0680 14.0680 14.3232 14.3232 14.5939 14.5939 14.9753 14.9753 k = 0.1562 0.2706-0.0000 ( 4963 PWs) bands (ev): -43.7992 -43.7992 -43.7858 -43.7858 -20.5385 -20.5385 -20.4914 -20.4914 -19.9276 -19.9276 -19.8594 -19.8594 -19.8226 -19.8226 -19.8123 -19.8123 -1.2893 -1.2893 -0.6176 -0.6176 6.8921 6.8921 8.2946 8.2946 8.3368 8.3368 8.9912 8.9912 9.4848 9.4848 9.9652 9.9652 12.3055 12.3055 13.5208 13.5208 14.0434 14.0434 14.3233 14.3233 14.5920 14.5920 14.9137 14.9137 k = 0.1510 0.2616-0.0000 ( 4959 PWs) bands (ev): -43.7998 -43.7998 -43.7863 -43.7863 -20.5375 -20.5375 -20.4893 -20.4893 -19.9267 -19.9267 -19.8562 -19.8562 -19.8200 -19.8200 -19.8116 -19.8116 -1.3398 -1.3398 -0.6344 -0.6344 6.8272 6.8272 8.3955 8.3955 8.4128 8.4128 9.0368 9.0368 9.5277 9.5277 10.0385 10.0385 12.2623 12.2623 13.5364 13.5364 14.0134 14.0134 14.3207 14.3207 14.5960 14.5960 14.8522 14.8522 k = 0.1458 0.2526-0.0000 ( 4957 PWs) bands (ev): -43.8003 -43.8003 -43.7869 -43.7869 -20.5365 -20.5365 -20.4873 -20.4873 -19.9258 -19.9258 -19.8530 -19.8530 -19.8173 -19.8173 -19.8110 -19.8110 -1.3896 -1.3896 -0.6509 -0.6509 6.7632 6.7632 8.4577 8.4577 8.5301 8.5301 9.0836 9.0836 9.5684 9.5684 10.1133 10.1133 12.2207 12.2207 13.5514 13.5514 13.9792 13.9792 14.3150 14.3150 14.6045 14.6045 14.7911 14.7911 k = 0.1406 0.2436-0.0000 ( 4955 PWs) bands (ev): -43.8009 -43.8009 -43.7874 -43.7874 -20.5355 -20.5355 -20.4853 -20.4853 -19.9249 -19.9249 -19.8498 -19.8498 -19.8147 -19.8147 -19.8104 -19.8104 -1.4386 -1.4386 -0.6672 -0.6672 6.7002 6.7002 8.5198 8.5198 8.6497 8.6497 9.1316 9.1316 9.6073 9.6073 10.1896 10.1896 12.1804 12.1804 13.5656 13.5656 13.9421 13.9421 14.3061 14.3061 14.6163 14.6163 14.7307 14.7307 k = 0.1354 0.2345-0.0000 ( 4943 PWs) bands (ev): -43.8014 -43.8014 -43.7879 -43.7879 -20.5345 -20.5345 -20.4833 -20.4833 -19.9239 -19.9239 -19.8466 -19.8466 -19.8120 -19.8120 -19.8097 -19.8097 -1.4866 -1.4866 -0.6832 -0.6832 6.6383 6.6383 8.5824 8.5824 8.7702 8.7702 9.1806 9.1806 9.6448 9.6448 10.2673 10.2673 12.1415 12.1415 13.5787 13.5787 13.9031 13.9031 14.2938 14.2938 14.6303 14.6303 14.6711 14.6711 k = 0.1302 0.2255-0.0000 ( 4943 PWs) bands (ev): -43.8020 -43.8020 -43.7884 -43.7884 -20.5336 -20.5336 -20.4813 -20.4813 -19.9230 -19.9230 -19.8435 -19.8435 -19.8096 -19.8096 -19.8088 -19.8088 -1.5337 -1.5337 -0.6989 -0.6989 6.5777 6.5777 8.6453 8.6453 8.8907 8.8907 9.2305 9.2305 9.6815 9.6815 10.3461 10.3461 12.1041 12.1041 13.5904 13.5904 13.8630 13.8630 14.2780 14.2780 14.6118 14.6118 14.6464 14.6464 k = 0.1250 0.2165-0.0000 ( 4937 PWs) bands (ev): -43.8025 -43.8025 -43.7889 -43.7889 -20.5326 -20.5326 -20.4794 -20.4794 -19.9221 -19.9221 -19.8403 -19.8403 -19.8086 -19.8086 -19.8065 -19.8065 -1.5796 -1.5796 -0.7143 -0.7143 6.5186 6.5186 8.7085 8.7085 9.0101 9.0101 9.2813 9.2813 9.7183 9.7183 10.4260 10.4260 12.0680 12.0680 13.6003 13.6003 13.8225 13.8225 14.2587 14.2587 14.5541 14.5541 14.6628 14.6628 k = 0.1198 0.2075-0.0000 ( 4933 PWs) bands (ev): -43.8030 -43.8030 -43.7894 -43.7894 -20.5317 -20.5317 -20.4775 -20.4775 -19.9212 -19.9212 -19.8373 -19.8373 -19.8078 -19.8078 -19.8039 -19.8039 -1.6243 -1.6243 -0.7292 -0.7292 6.4610 6.4610 8.7718 8.7718 9.1268 9.1268 9.3329 9.3329 9.7567 9.7567 10.5069 10.5069 12.0334 12.0334 13.6081 13.6081 13.7821 13.7821 14.2360 14.2360 14.4973 14.4973 14.6797 14.6797 k = 0.1146 0.1985-0.0000 ( 4937 PWs) bands (ev): -43.8035 -43.8035 -43.7899 -43.7899 -20.5309 -20.5309 -20.4756 -20.4756 -19.9203 -19.9203 -19.8343 -19.8343 -19.8071 -19.8071 -19.8013 -19.8013 -1.6676 -1.6676 -0.7437 -0.7437 6.4051 6.4051 8.8350 8.8350 9.2383 9.2383 9.3853 9.3853 9.7989 9.7989 10.5884 10.5884 12.0001 12.0001 13.6134 13.6134 13.7423 13.7423 14.2099 14.2099 14.4415 14.4415 14.6967 14.6967 k = 0.1094 0.1894-0.0000 ( 4941 PWs) bands (ev): -43.8040 -43.8040 -43.7904 -43.7904 -20.5300 -20.5300 -20.4738 -20.4738 -19.9194 -19.9194 -19.8315 -19.8315 -19.8063 -19.8063 -19.7988 -19.7988 -1.7096 -1.7096 -0.7578 -0.7578 6.3509 6.3509 8.8979 8.8979 9.3412 9.3412 9.4384 9.4384 9.8480 9.8480 10.6705 10.6705 11.9682 11.9682 13.6155 13.6155 13.7035 13.7035 14.1808 14.1808 14.3868 14.3868 14.7134 14.7134 k = 0.1042 0.1804-0.0000 ( 4933 PWs) bands (ev): -43.8045 -43.8045 -43.7909 -43.7909 -20.5292 -20.5292 -20.4720 -20.4720 -19.9186 -19.9186 -19.8287 -19.8287 -19.8054 -19.8054 -19.7962 -19.7962 -1.7502 -1.7502 -0.7714 -0.7714 6.2986 6.2986 8.9604 8.9604 9.4315 9.4315 9.4922 9.4922 9.9078 9.9078 10.7529 10.7529 11.9377 11.9377 13.6136 13.6136 13.6668 13.6668 14.1487 14.1487 14.3330 14.3330 14.7298 14.7298 k = 0.0990 0.1714-0.0000 ( 4929 PWs) bands (ev): -43.8050 -43.8050 -43.7914 -43.7914 -20.5285 -20.5285 -20.4703 -20.4703 -19.9177 -19.9177 -19.8262 -19.8262 -19.8045 -19.8045 -19.7937 -19.7937 -1.7892 -1.7892 -0.7845 -0.7845 6.2483 6.2483 9.0222 9.0222 9.5061 9.5061 9.5460 9.5460 9.9818 9.9818 10.8354 10.8354 11.9087 11.9087 13.6043 13.6043 13.6352 13.6352 14.1139 14.1139 14.2801 14.2801 14.7455 14.7455 k = 0.0938 0.1624-0.0000 ( 4935 PWs) bands (ev): -43.8055 -43.8055 -43.7918 -43.7918 -20.5278 -20.5278 -20.4687 -20.4687 -19.9169 -19.9169 -19.8238 -19.8238 -19.8035 -19.8035 -19.7913 -19.7913 -1.8265 -1.8265 -0.7971 -0.7971 6.2000 6.2000 9.0831 9.0831 9.5658 9.5658 9.5977 9.5977 10.0707 10.0707 10.9177 10.9177 11.8812 11.8812 13.5808 13.5808 13.6157 13.6157 14.0769 14.0769 14.2281 14.2281 14.7606 14.7606 k = 0.0885 0.1534-0.0000 ( 4939 PWs) bands (ev): -43.8059 -43.8059 -43.7922 -43.7922 -20.5271 -20.5271 -20.4671 -20.4671 -19.9162 -19.9162 -19.8216 -19.8216 -19.8023 -19.8023 -19.7889 -19.7889 -1.8623 -1.8623 -0.8092 -0.8092 6.1538 6.1538 9.1430 9.1430 9.6124 9.6124 9.6474 9.6474 10.1723 10.1723 10.9996 10.9996 11.8553 11.8553 13.5495 13.5495 13.6017 13.6017 14.0380 14.0380 14.1769 14.1769 14.7748 14.7748 k = 0.0833 0.1443-0.0000 ( 4941 PWs) bands (ev): -43.8064 -43.8064 -43.7927 -43.7927 -20.5264 -20.5264 -20.4656 -20.4656 -19.9154 -19.9154 -19.8197 -19.8197 -19.8010 -19.8010 -19.7866 -19.7866 -1.8962 -1.8962 -0.8206 -0.8206 6.1099 6.1099 9.2015 9.2015 9.6466 9.6466 9.6975 9.6975 10.2829 10.2829 11.0807 11.0807 11.8312 11.8312 13.5174 13.5174 13.5864 13.5864 13.9975 13.9975 14.1264 14.1264 14.7882 14.7882 k = 0.0781 0.1353-0.0000 ( 4937 PWs) bands (ev): -43.8068 -43.8068 -43.7931 -43.7931 -20.5258 -20.5258 -20.4642 -20.4642 -19.9148 -19.9148 -19.8181 -19.8181 -19.7996 -19.7996 -19.7844 -19.7844 -1.9284 -1.9284 -0.8315 -0.8315 6.0683 6.0683 9.2585 9.2585 9.6715 9.6715 9.7480 9.7480 10.3990 10.3990 11.1607 11.1607 11.8089 11.8089 13.4864 13.4864 13.5681 13.5681 13.9559 13.9559 14.0765 14.0765 14.8007 14.8007 k = 0.0729 0.1263-0.0000 ( 4937 PWs) bands (ev): -43.8072 -43.8072 -43.7934 -43.7934 -20.5252 -20.5252 -20.4629 -20.4629 -19.9141 -19.9141 -19.8166 -19.8166 -19.7981 -19.7981 -19.7823 -19.7823 -1.9588 -1.9588 -0.8418 -0.8418 6.0290 6.0290 9.3137 9.3137 9.6901 9.6901 9.7979 9.7979 10.5176 10.5176 11.2392 11.2392 11.7886 11.7886 13.4568 13.4568 13.5469 13.5469 13.9136 13.9136 14.0270 14.0270 14.8123 14.8123 k = 0.0677 0.1173-0.0000 ( 4935 PWs) bands (ev): -43.8076 -43.8076 -43.7938 -43.7938 -20.5247 -20.5247 -20.4616 -20.4616 -19.9135 -19.9135 -19.8154 -19.8154 -19.7966 -19.7966 -19.7803 -19.7803 -1.9872 -1.9872 -0.8514 -0.8514 5.9922 5.9922 9.3667 9.3667 9.7042 9.7042 9.8468 9.8468 10.6365 10.6365 11.3158 11.3158 11.7707 11.7707 13.4288 13.4288 13.5231 13.5231 13.8710 13.8710 13.9780 13.9780 14.8229 14.8229 k = 0.0625 0.1083-0.0000 ( 4935 PWs) bands (ev): -43.8079 -43.8079 -43.7941 -43.7941 -20.5242 -20.5242 -20.4604 -20.4604 -19.9129 -19.9129 -19.8144 -19.8144 -19.7950 -19.7950 -19.7783 -19.7783 -2.0138 -2.0138 -0.8604 -0.8604 5.9578 5.9578 9.4174 9.4174 9.7151 9.7151 9.8942 9.8942 10.7538 10.7538 11.3901 11.3901 11.7556 11.7556 13.4026 13.4026 13.4969 13.4969 13.8285 13.8285 13.9293 13.9293 14.8326 14.8326 k = 0.0573 0.0992-0.0000 ( 4941 PWs) bands (ev): -43.8082 -43.8082 -43.7944 -43.7944 -20.5238 -20.5238 -20.4593 -20.4593 -19.9124 -19.9124 -19.8136 -19.8136 -19.7934 -19.7934 -19.7766 -19.7766 -2.0383 -2.0383 -0.8688 -0.8688 5.9260 5.9260 9.4655 9.4655 9.7236 9.7236 9.9397 9.9397 10.8678 10.8678 11.4615 11.4615 11.7437 11.7437 13.3782 13.3782 13.4692 13.4692 13.7867 13.7867 13.8811 13.8811 14.8413 14.8413 k = 0.0521 0.0902-0.0000 ( 4949 PWs) bands (ev): -43.8085 -43.8085 -43.7947 -43.7947 -20.5233 -20.5233 -20.4583 -20.4583 -19.9119 -19.9119 -19.8129 -19.8129 -19.7918 -19.7918 -19.7749 -19.7749 -2.0608 -2.0608 -0.8764 -0.8764 5.8968 5.8968 9.5105 9.5105 9.7303 9.7303 9.9831 9.9831 10.9766 10.9766 11.5293 11.5293 11.7360 11.7360 13.3557 13.3557 13.4406 13.4406 13.7460 13.7460 13.8333 13.8333 14.8491 14.8491 k = 0.0469 0.0812-0.0000 ( 4953 PWs) bands (ev): -43.8088 -43.8088 -43.7950 -43.7950 -20.5230 -20.5230 -20.4574 -20.4574 -19.9114 -19.9114 -19.8123 -19.8123 -19.7903 -19.7903 -19.7733 -19.7733 -2.0813 -2.0813 -0.8834 -0.8834 5.8702 5.8702 9.5523 9.5523 9.7356 9.7356 10.0239 10.0239 11.0780 11.0780 11.5928 11.5928 11.7337 11.7337 13.3351 13.3351 13.4119 13.4119 13.7068 13.7068 13.7862 13.7862 14.8558 14.8558 k = 0.0417 0.0722-0.0000 ( 4949 PWs) bands (ev): -43.8091 -43.8091 -43.7952 -43.7952 -20.5226 -20.5226 -20.4566 -20.4566 -19.9110 -19.9110 -19.8118 -19.8118 -19.7889 -19.7889 -19.7720 -19.7720 -2.0998 -2.0998 -0.8896 -0.8896 5.8463 5.8463 9.5905 9.5905 9.7400 9.7400 10.0617 10.0617 11.1697 11.1697 11.6502 11.6502 11.7393 11.7393 13.3164 13.3164 13.3838 13.3838 13.6697 13.6697 13.7401 13.7401 14.8617 14.8617 k = 0.0365 0.0631-0.0000 ( 4941 PWs) bands (ev): -43.8093 -43.8093 -43.7954 -43.7954 -20.5224 -20.5224 -20.4559 -20.4559 -19.9107 -19.9107 -19.8114 -19.8114 -19.7876 -19.7876 -19.7707 -19.7707 -2.1161 -2.1161 -0.8952 -0.8952 5.8252 5.8252 9.6247 9.6247 9.7436 9.7436 10.0963 10.0963 11.2488 11.2488 11.6984 11.6984 11.7567 11.7567 13.2995 13.2995 13.3571 13.3571 13.6352 13.6352 13.6955 13.6955 14.8665 14.8665 k = 0.0312 0.0541-0.0000 ( 4933 PWs) bands (ev): -43.8095 -43.8095 -43.7956 -43.7956 -20.5221 -20.5221 -20.4552 -20.4552 -19.9104 -19.9104 -19.8111 -19.8111 -19.7864 -19.7864 -19.7696 -19.7696 -2.1303 -2.1303 -0.9000 -0.9000 5.8067 5.8067 9.6546 9.6546 9.7468 9.7468 10.1272 10.1272 11.3129 11.3129 11.7349 11.7349 11.7887 11.7887 13.2846 13.2846 13.3327 13.3327 13.6038 13.6038 13.6531 13.6531 14.8704 14.8704 k = 0.0260 0.0451-0.0000 ( 4941 PWs) bands (ev): -43.8097 -43.8097 -43.7958 -43.7958 -20.5219 -20.5219 -20.4547 -20.4547 -19.9101 -19.9101 -19.8109 -19.8109 -19.7854 -19.7854 -19.7687 -19.7687 -2.1423 -2.1423 -0.9041 -0.9041 5.7911 5.7911 9.6796 9.6796 9.7499 9.7499 10.1541 10.1541 11.3612 11.3612 11.7662 11.7662 11.8274 11.8274 13.2714 13.2714 13.3112 13.3112 13.5760 13.5760 13.6138 13.6138 14.8732 14.8732 k = 0.0208 0.0361-0.0000 ( 4945 PWs) bands (ev): -43.8098 -43.8098 -43.7959 -43.7959 -20.5217 -20.5217 -20.4542 -20.4542 -19.9099 -19.9099 -19.8107 -19.8107 -19.7846 -19.7846 -19.7679 -19.7679 -2.1522 -2.1522 -0.9075 -0.9075 5.7783 5.7783 9.6994 9.6994 9.7534 9.7534 10.1766 10.1766 11.3948 11.3948 11.7971 11.7971 11.8646 11.8646 13.2598 13.2598 13.2935 13.2935 13.5524 13.5524 13.5788 13.5788 14.8751 14.8751 k = 0.0156 0.0271-0.0000 ( 4953 PWs) bands (ev): -43.8099 -43.8099 -43.7960 -43.7960 -20.5216 -20.5216 -20.4539 -20.4539 -19.9097 -19.9097 -19.8105 -19.8105 -19.7839 -19.7839 -19.7673 -19.7673 -2.1599 -2.1599 -0.9101 -0.9101 5.7683 5.7683 9.7136 9.7136 9.7575 9.7575 10.1944 10.1944 11.4166 11.4166 11.8258 11.8258 11.8967 11.8967 13.2500 13.2500 13.2799 13.2799 13.5334 13.5334 13.5494 13.5494 14.8763 14.8763 k = 0.0104 0.0180-0.0000 ( 4953 PWs) bands (ev): -43.8100 -43.8100 -43.7961 -43.7961 -20.5215 -20.5215 -20.4537 -20.4537 -19.9096 -19.9096 -19.8104 -19.8104 -19.7835 -19.7835 -19.7669 -19.7669 -2.1654 -2.1654 -0.9120 -0.9120 5.7612 5.7612 9.7224 9.7224 9.7619 9.7619 10.2074 10.2074 11.4297 11.4297 11.8488 11.8488 11.9217 11.9217 13.2424 13.2424 13.2706 13.2706 13.5196 13.5196 13.5271 13.5271 14.8769 14.8769 k = 0.0052 0.0090-0.0000 ( 4961 PWs) bands (ev): -43.8100 -43.8100 -43.7961 -43.7961 -20.5214 -20.5214 -20.4535 -20.4535 -19.9095 -19.9095 -19.8103 -19.8103 -19.7832 -19.7832 -19.7666 -19.7666 -2.1687 -2.1687 -0.9131 -0.9131 5.7569 5.7569 9.7269 9.7269 9.7652 9.7652 10.2152 10.2152 11.4366 11.4366 11.8634 11.8634 11.9376 11.9376 13.2374 13.2374 13.2653 13.2653 13.5110 13.5110 13.5132 13.5132 14.8771 14.8771 k = 0.0000 0.0000 0.0000 ( 4973 PWs) bands (ev): -43.8100 -43.8100 -43.7962 -43.7962 -20.5214 -20.5214 -20.4535 -20.4535 -19.9095 -19.9095 -19.8103 -19.8103 -19.7831 -19.7831 -19.7665 -19.7665 -2.1698 -2.1698 -0.9135 -0.9135 5.7554 5.7554 9.7282 9.7282 9.7665 9.7665 10.2179 10.2179 11.4388 11.4388 11.8684 11.8684 11.9431 11.9431 13.2357 13.2357 13.2635 13.2635 13.5079 13.5079 13.5086 13.5086 14.8772 14.8774 k = 0.0000 0.0000 0.0000 ( 4973 PWs) bands (ev): -43.8100 -43.8100 -43.7962 -43.7962 -20.5214 -20.5214 -20.4535 -20.4535 -19.9095 -19.9095 -19.8103 -19.8103 -19.7831 -19.7831 -19.7665 -19.7665 -2.1698 -2.1698 -0.9135 -0.9135 5.7554 5.7554 9.7282 9.7282 9.7665 9.7665 10.2179 10.2179 11.4388 11.4388 11.8684 11.8684 11.9431 11.9431 13.2357 13.2357 13.2635 13.2635 13.5079 13.5079 13.5086 13.5086 14.8772 14.8772 k = 0.0000 0.0000 0.0102 ( 4961 PWs) bands (ev): -43.8100 -43.8100 -43.7962 -43.7962 -20.5213 -20.5213 -20.4535 -20.4535 -19.9094 -19.9094 -19.8104 -19.8104 -19.7831 -19.7831 -19.7665 -19.7665 -2.1688 -2.1688 -0.9151 -0.9151 5.7588 5.7588 9.7294 9.7294 9.7677 9.7677 10.2049 10.2049 11.4499 11.4499 11.8619 11.8619 11.9361 11.9361 13.2433 13.2433 13.2707 13.2707 13.5088 13.5088 13.5095 13.5095 14.8764 14.8764 k = 0.0000 0.0000 0.0205 ( 4961 PWs) bands (ev): -43.8100 -43.8100 -43.7962 -43.7962 -20.5211 -20.5211 -20.4537 -20.4537 -19.9092 -19.9092 -19.8108 -19.8108 -19.7830 -19.7830 -19.7666 -19.7666 -2.1657 -2.1657 -0.9199 -0.9199 5.7687 5.7687 9.7329 9.7329 9.7712 9.7712 10.1673 10.1673 11.4819 11.4819 11.8427 11.8427 11.9154 11.9154 13.2658 13.2658 13.2920 13.2920 13.5114 13.5114 13.5121 13.5121 14.8738 14.8738 k = 0.0000 0.0000 0.0307 ( 4967 PWs) bands (ev): -43.8099 -43.8099 -43.7963 -43.7963 -20.5207 -20.5207 -20.4539 -20.4539 -19.9088 -19.9088 -19.8113 -19.8113 -19.7829 -19.7829 -19.7667 -19.7667 -2.1607 -2.1607 -0.9278 -0.9278 5.7852 5.7852 9.7387 9.7387 9.7770 9.7770 10.1086 10.1086 11.5313 11.5313 11.8122 11.8122 11.8825 11.8825 13.3015 13.3015 13.3260 13.3260 13.5158 13.5158 13.5164 13.5164 14.8698 14.8698 k = 0.0000 0.0000 0.0410 ( 4967 PWs) bands (ev): -43.8098 -43.8098 -43.7964 -43.7964 -20.5201 -20.5201 -20.4543 -20.4543 -19.9082 -19.9082 -19.8121 -19.8121 -19.7828 -19.7828 -19.7668 -19.7668 -2.1537 -2.1537 -0.9388 -0.9388 5.8083 5.8083 9.7468 9.7468 9.7852 9.7852 10.0328 10.0328 11.5938 11.5938 11.7723 11.7723 11.8393 11.8393 13.3484 13.3484 13.3710 13.3710 13.5220 13.5220 13.5224 13.5224 14.8644 14.8644 k = 0.0000 0.0000 0.0512 ( 4979 PWs) bands (ev): -43.8097 -43.8097 -43.7965 -43.7965 -20.5194 -20.5194 -20.4548 -20.4548 -19.9075 -19.9075 -19.8132 -19.8132 -19.7827 -19.7827 -19.7669 -19.7669 -2.1447 -2.1447 -0.9529 -0.9529 5.8378 5.8378 9.7572 9.7572 9.7957 9.7957 9.9439 9.9439 11.6625 11.6625 11.7278 11.7278 11.7879 11.7879 13.4041 13.4041 13.4249 13.4249 13.5300 13.5300 13.5300 13.5300 14.8579 14.8579 k = 0.0000 0.0000 0.0615 ( 4967 PWs) bands (ev): -43.8096 -43.8096 -43.7966 -43.7966 -20.5185 -20.5185 -20.4554 -20.4554 -19.9066 -19.9066 -19.8144 -19.8144 -19.7825 -19.7825 -19.7671 -19.7671 -2.1338 -2.1338 -0.9698 -0.9698 5.8735 5.8735 9.7700 9.7700 9.8085 9.8085 9.8449 9.8449 11.6617 11.6617 11.7300 11.7300 11.7534 11.7534 13.4660 13.4660 13.4858 13.4858 13.5394 13.5394 13.5402 13.5402 14.8508 14.8508 k = 0.0000 0.0000 0.0717 ( 4973 PWs) bands (ev): -43.8094 -43.8094 -43.7968 -43.7968 -20.5175 -20.5175 -20.4561 -20.4561 -19.9056 -19.9056 -19.8158 -19.8158 -19.7823 -19.7823 -19.7673 -19.7673 -2.1209 -2.1209 -0.9894 -0.9894 5.9155 5.9155 9.7384 9.7384 9.7851 9.7851 9.8237 9.8237 11.6043 11.6043 11.6675 11.6675 11.8354 11.8354 13.5282 13.5282 13.5504 13.5504 13.5516 13.5516 13.5565 13.5565 14.8435 14.8435 k = 0.0000 0.0000 0.0820 ( 4967 PWs) bands (ev): -43.8092 -43.8092 -43.7970 -43.7970 -20.5164 -20.5164 -20.4569 -20.4569 -19.9044 -19.9044 -19.8174 -19.8174 -19.7821 -19.7821 -19.7676 -19.7676 -2.1061 -2.1061 -1.0117 -1.0117 5.9634 5.9634 9.6259 9.6259 9.8024 9.8024 9.8411 9.8411 11.5411 11.5411 11.6015 11.6015 11.9226 11.9226 13.5583 13.5583 13.5630 13.5630 13.6092 13.6092 13.6206 13.6206 14.8369 14.8369 k = 0.0000 0.0000 0.0922 ( 4949 PWs) bands (ev): -43.8090 -43.8090 -43.7972 -43.7972 -20.5151 -20.5151 -20.4577 -20.4577 -19.9030 -19.9030 -19.8193 -19.8193 -19.7818 -19.7818 -19.7678 -19.7678 -2.0894 -2.0894 -1.0364 -1.0364 6.0172 6.0172 9.5090 9.5090 9.8221 9.8221 9.8609 9.8609 11.4751 11.4751 11.5331 11.5331 12.0122 12.0122 13.5742 13.5742 13.5772 13.5772 13.6787 13.6787 13.6909 13.6909 14.8317 14.8317 k = 0.0000 0.0000 0.1025 ( 4949 PWs) bands (ev): -43.8087 -43.8087 -43.7975 -43.7975 -20.5137 -20.5137 -20.4587 -20.4587 -19.9015 -19.9015 -19.8213 -19.8213 -19.7815 -19.7815 -19.7681 -19.7681 -2.0709 -2.0709 -1.0634 -1.0634 6.0766 6.0766 9.3885 9.3885 9.8440 9.8440 9.8829 9.8829 11.4071 11.4071 11.4631 11.4631 12.1034 12.1034 13.5904 13.5904 13.5929 13.5929 13.7486 13.7486 13.7607 13.7607 14.8291 14.8291 k = 0.0000 0.0000 0.1127 ( 4955 PWs) bands (ev): -43.8084 -43.8084 -43.7977 -43.7977 -20.5122 -20.5122 -20.4598 -20.4598 -19.8999 -19.8999 -19.8234 -19.8234 -19.7812 -19.7812 -19.7684 -19.7684 -2.0506 -2.0506 -1.0925 -1.0925 6.1415 6.1415 9.2654 9.2654 9.8682 9.8682 9.9072 9.9072 11.3380 11.3380 11.3923 11.3923 12.1954 12.1954 13.6078 13.6078 13.6100 13.6100 13.8159 13.8159 13.8280 13.8280 14.7787 14.7787 k = 0.0000 0.0000 0.1230 ( 4961 PWs) bands (ev): -43.8082 -43.8082 -43.7980 -43.7980 -20.5105 -20.5105 -20.4610 -20.4610 -19.8981 -19.8981 -19.8258 -19.8258 -19.7808 -19.7808 -19.7688 -19.7688 -2.0285 -2.0285 -1.1235 -1.1235 6.2116 6.2116 9.1402 9.1402 9.8946 9.8946 9.9338 9.9338 11.2683 11.2683 11.3210 11.3210 12.2880 12.2880 13.6265 13.6265 13.6287 13.6287 13.8784 13.8784 13.8907 13.8907 14.6977 14.6977 k = 0.0000 0.0000 0.1332 ( 4961 PWs) bands (ev): -43.8079 -43.8079 -43.7983 -43.7983 -20.5088 -20.5088 -20.4623 -20.4623 -19.8961 -19.8961 -19.8282 -19.8282 -19.7805 -19.7805 -19.7691 -19.7691 -2.0048 -2.0048 -1.1562 -1.1562 6.2867 6.2867 9.0134 9.0134 9.9233 9.9233 9.9626 9.9626 11.1984 11.1984 11.2498 11.2498 12.3809 12.3809 13.6465 13.6465 13.6486 13.6486 13.9342 13.9342 13.9466 13.9466 14.6139 14.6139 k = 0.0000 0.0000 0.1435 ( 4931 PWs) bands (ev): -43.8075 -43.8075 -43.7987 -43.7987 -20.5070 -20.5070 -20.4637 -20.4637 -19.8941 -19.8941 -19.8308 -19.8308 -19.7801 -19.7801 -19.7695 -19.7695 -1.9794 -1.9794 -1.1904 -1.1904 6.3666 6.3666 8.8856 8.8856 9.9542 9.9542 9.9937 9.9937 11.1288 11.1288 11.1789 11.1789 12.4740 12.4740 13.6677 13.6677 13.6699 13.6699 13.9812 13.9812 13.9937 13.9937 14.5276 14.5276 k = 0.0000 0.0000 0.1537 ( 4931 PWs) bands (ev): -43.8072 -43.8072 -43.7990 -43.7990 -20.5051 -20.5051 -20.4652 -20.4652 -19.8919 -19.8919 -19.8336 -19.8336 -19.7797 -19.7797 -19.7699 -19.7699 -1.9524 -1.9524 -1.2259 -1.2259 6.4511 6.4511 8.7571 8.7571 9.9873 9.9873 10.0270 10.0270 11.0596 11.0596 11.1087 11.1087 12.5673 12.5673 13.6902 13.6902 13.6924 13.6924 14.0180 14.0180 14.0305 14.0305 14.4394 14.4394 k = 0.0000 0.0000 0.1640 ( 4919 PWs) bands (ev): -43.8068 -43.8068 -43.7994 -43.7994 -20.5031 -20.5031 -20.4667 -20.4667 -19.8896 -19.8896 -19.8364 -19.8364 -19.7792 -19.7792 -19.7704 -19.7704 -1.9239 -1.9239 -1.2625 -1.2625 6.5399 6.5399 8.6282 8.6282 10.0226 10.0226 10.0624 10.0624 10.9912 10.9912 11.0394 11.0394 12.6606 12.6606 13.7137 13.7137 13.7160 13.7160 14.0440 14.0440 14.0562 14.0562 14.3495 14.3495 k = 0.0000 0.0000 0.1742 ( 4918 PWs) bands (ev): -43.8064 -43.8064 -43.7998 -43.7998 -20.5011 -20.5011 -20.4684 -20.4684 -19.8871 -19.8871 -19.8393 -19.8393 -19.7788 -19.7788 -19.7708 -19.7708 -1.8940 -1.8940 -1.3001 -1.3001 6.6329 6.6329 8.4992 8.4992 10.0600 10.0600 10.1001 10.1001 10.9238 10.9238 10.9710 10.9710 12.7541 12.7541 13.7383 13.7383 13.7406 13.7406 14.0595 14.0595 14.0711 14.0711 14.2583 14.2583 k = 0.0000 0.0000 0.1845 ( 4918 PWs) bands (ev): -43.8061 -43.8061 -43.8001 -43.8001 -20.4990 -20.4990 -20.4701 -20.4701 -19.8846 -19.8846 -19.8423 -19.8423 -19.7783 -19.7783 -19.7713 -19.7713 -1.8626 -1.8626 -1.3384 -1.3384 6.7297 6.7297 8.3706 8.3706 10.0996 10.0996 10.1399 10.1399 10.8574 10.8574 10.9039 10.9039 12.8476 12.8476 13.7637 13.7637 13.7660 13.7660 14.0655 14.0655 14.0762 14.0762 14.1661 14.1661 k = 0.0000 0.0000 0.1947 ( 4918 PWs) bands (ev): -43.8057 -43.8057 -43.8005 -43.8005 -20.4969 -20.4969 -20.4719 -20.4719 -19.8819 -19.8819 -19.8454 -19.8454 -19.7779 -19.7779 -19.7718 -19.7718 -1.8300 -1.8300 -1.3773 -1.3773 6.8302 6.8302 8.2424 8.2424 10.1413 10.1413 10.1818 10.1818 10.7923 10.7923 10.8381 10.8381 12.9412 12.9412 13.7899 13.7899 13.7921 13.7921 14.0632 14.0632 14.0731 14.0731 14.0733 14.0733 k = 0.0000 0.0000 0.2050 ( 4918 PWs) bands (ev): -43.8052 -43.8052 -43.8010 -43.8010 -20.4947 -20.4947 -20.4738 -20.4738 -19.8791 -19.8791 -19.8485 -19.8485 -19.7774 -19.7774 -19.7723 -19.7723 -1.7962 -1.7962 -1.4165 -1.4165 6.9341 6.9341 8.1150 8.1150 10.1850 10.1850 10.2259 10.2259 10.7286 10.7286 10.7737 10.7737 13.0350 13.0350 13.8166 13.8166 13.8185 13.8185 13.9802 13.9802 14.0544 14.0544 14.0633 14.0633 k = 0.0000 0.0000 0.2152 ( 4930 PWs) bands (ev): -43.8048 -43.8048 -43.8014 -43.8014 -20.4926 -20.4926 -20.4757 -20.4757 -19.8763 -19.8763 -19.8516 -19.8516 -19.7769 -19.7769 -19.7728 -19.7728 -1.7614 -1.7614 -1.4560 -1.4560 7.0413 7.0413 7.9886 7.9886 10.2309 10.2309 10.2720 10.2720 10.6664 10.6664 10.7109 10.7109 13.1289 13.1289 13.8419 13.8419 13.8438 13.8438 13.8901 13.8901 14.0402 14.0402 14.0483 14.0483 k = 0.0000 0.0000 0.2255 ( 4942 PWs) bands (ev): -43.8044 -43.8044 -43.8018 -43.8018 -20.4904 -20.4904 -20.4777 -20.4777 -19.8734 -19.8734 -19.8548 -19.8548 -19.7764 -19.7764 -19.7733 -19.7733 -1.7255 -1.7255 -1.4955 -1.4955 7.1515 7.1515 7.8635 7.8635 10.2787 10.2787 10.3202 10.3202 10.6057 10.6057 10.6497 10.6497 13.2229 13.2229 13.7875 13.7875 13.8712 13.8712 13.8778 13.8778 14.0220 14.0220 14.0294 14.0294 k = 0.0000 0.0000 0.2357 ( 4942 PWs) bands (ev): -43.8040 -43.8040 -43.8022 -43.8022 -20.4882 -20.4882 -20.4797 -20.4797 -19.8704 -19.8704 -19.8579 -19.8579 -19.7758 -19.7758 -19.7738 -19.7738 -1.6887 -1.6887 -1.5349 -1.5349 7.2645 7.2645 7.7399 7.7399 10.3285 10.3285 10.3703 10.3703 10.5467 10.5467 10.5902 10.5902 13.3171 13.3171 13.6945 13.6945 13.8985 13.8985 13.9040 13.9040 14.0007 14.0007 14.0074 14.0074 k = 0.0000 0.0000 0.2460 ( 4936 PWs) bands (ev): -43.8035 -43.8035 -43.8027 -43.8027 -20.4861 -20.4861 -20.4818 -20.4818 -19.8673 -19.8673 -19.8611 -19.8611 -19.7753 -19.7753 -19.7743 -19.7743 -1.6511 -1.6511 -1.5741 -1.5741 7.3800 7.3800 7.6179 7.6179 10.3803 10.3803 10.4224 10.4224 10.4894 10.4894 10.5324 10.5324 13.4114 13.4114 13.6003 13.6003 13.9256 13.9256 13.9310 13.9310 13.9771 13.9771 13.9832 13.9832 k = 0.0000 0.0000 0.2562 ( 4942 PWs) bands (ev): -43.8031 -43.8031 -43.8031 -43.8031 -20.4839 -20.4839 -20.4839 -20.4839 -19.8642 -19.8642 -19.8642 -19.8642 -19.7748 -19.7748 -19.7748 -19.7748 -1.6129 -1.6129 -1.6129 -1.6129 7.4979 7.4979 7.4979 7.4979 10.4339 10.4339 10.4339 10.4339 10.4765 10.4765 10.4765 10.4765 13.5059 13.5059 13.5059 13.5059 13.9519 13.9519 13.9519 13.9519 13.9576 13.9576 13.9576 13.9576 k = 0.0000 0.0000 0.2562 ( 4942 PWs) bands (ev): -43.8031 -43.8031 -43.8031 -43.8031 -20.4839 -20.4839 -20.4839 -20.4839 -19.8642 -19.8642 -19.8642 -19.8642 -19.7748 -19.7748 -19.7748 -19.7748 -1.6129 -1.6129 -1.6129 -1.6129 7.4979 7.4979 7.4979 7.4979 10.4339 10.4339 10.4339 10.4339 10.4765 10.4765 10.4765 10.4765 13.5059 13.5059 13.5059 13.5059 13.9519 13.9519 13.9519 13.9519 13.9576 13.9576 13.9576 13.9576 k = 0.0091 0.0052 0.2562 ( 4938 PWs) bands (ev): -43.8031 -43.8031 -43.8031 -43.8031 -20.4839 -20.4839 -20.4839 -20.4839 -19.8642 -19.8642 -19.8642 -19.8642 -19.7749 -19.7749 -19.7749 -19.7749 -1.6120 -1.6120 -1.6120 -1.6120 7.4982 7.4982 7.4982 7.4982 10.4317 10.4317 10.4317 10.4317 10.4743 10.4743 10.4743 10.4743 13.5080 13.5080 13.5080 13.5080 13.9507 13.9507 13.9507 13.9507 13.9568 13.9568 13.9568 13.9568 k = 0.0182 0.0105 0.2562 ( 4938 PWs) bands (ev): -43.8030 -43.8030 -43.8030 -43.8030 -20.4840 -20.4840 -20.4840 -20.4840 -19.8643 -19.8643 -19.8643 -19.8643 -19.7752 -19.7752 -19.7752 -19.7752 -1.6095 -1.6095 -1.6095 -1.6095 7.4993 7.4993 7.4993 7.4993 10.4241 10.4241 10.4241 10.4241 10.4686 10.4686 10.4686 10.4686 13.5142 13.5142 13.5142 13.5142 13.9464 13.9464 13.9464 13.9464 13.9552 13.9552 13.9552 13.9552 k = 0.0273 0.0157 0.2562 ( 4942 PWs) bands (ev): -43.8030 -43.8030 -43.8030 -43.8030 -20.4842 -20.4842 -20.4842 -20.4842 -19.8644 -19.8644 -19.8644 -19.8644 -19.7756 -19.7756 -19.7756 -19.7756 -1.6053 -1.6053 -1.6053 -1.6053 7.5010 7.5010 7.5010 7.5010 10.4097 10.4097 10.4097 10.4097 10.4612 10.4612 10.4612 10.4612 13.5240 13.5240 13.5240 13.5240 13.9387 13.9387 13.9387 13.9387 13.9537 13.9537 13.9537 13.9537 k = 0.0364 0.0210 0.2562 ( 4942 PWs) bands (ev): -43.8029 -43.8029 -43.8029 -43.8029 -20.4845 -20.4845 -20.4845 -20.4845 -19.8646 -19.8646 -19.8646 -19.8646 -19.7763 -19.7763 -19.7763 -19.7763 -1.5994 -1.5994 -1.5994 -1.5994 7.5033 7.5033 7.5033 7.5033 10.3871 10.3871 10.3871 10.3871 10.4536 10.4536 10.4536 10.4536 13.5367 13.5367 13.5367 13.5367 13.9282 13.9282 13.9282 13.9282 13.9521 13.9521 13.9521 13.9521 k = 0.0455 0.0262 0.2562 ( 4934 PWs) bands (ev): -43.8027 -43.8027 -43.8027 -43.8027 -20.4848 -20.4848 -20.4848 -20.4848 -19.8648 -19.8648 -19.8648 -19.8648 -19.7771 -19.7771 -19.7771 -19.7771 -1.5919 -1.5919 -1.5919 -1.5919 7.5062 7.5062 7.5062 7.5062 10.3564 10.3564 10.3564 10.3564 10.4462 10.4462 10.4462 10.4462 13.5509 13.5509 13.5509 13.5509 13.9162 13.9162 13.9162 13.9162 13.9505 13.9505 13.9505 13.9505 k = 0.0545 0.0315 0.2562 ( 4938 PWs) bands (ev): -43.8026 -43.8026 -43.8026 -43.8026 -20.4852 -20.4852 -20.4852 -20.4852 -19.8650 -19.8650 -19.8650 -19.8650 -19.7781 -19.7781 -19.7781 -19.7781 -1.5828 -1.5828 -1.5828 -1.5828 7.5097 7.5097 7.5097 7.5097 10.3184 10.3184 10.3184 10.3184 10.4384 10.4384 10.4384 10.4384 13.5648 13.5648 13.5648 13.5648 13.9044 13.9044 13.9044 13.9044 13.9490 13.9490 13.9490 13.9490 k = 0.0636 0.0367 0.2562 ( 4934 PWs) bands (ev): -43.8024 -43.8024 -43.8024 -43.8024 -20.4856 -20.4856 -20.4856 -20.4856 -19.8653 -19.8653 -19.8653 -19.8653 -19.7792 -19.7792 -19.7792 -19.7792 -1.5720 -1.5720 -1.5720 -1.5720 7.5137 7.5137 7.5137 7.5137 10.2740 10.2740 10.2740 10.2740 10.4300 10.4300 10.4300 10.4300 13.5756 13.5756 13.5756 13.5756 13.8951 13.8951 13.8951 13.8951 13.9477 13.9477 13.9477 13.9477 k = 0.0727 0.0420 0.2562 ( 4936 PWs) bands (ev): -43.8021 -43.8021 -43.8021 -43.8021 -20.4862 -20.4862 -20.4862 -20.4862 -19.8657 -19.8657 -19.8657 -19.8657 -19.7805 -19.7805 -19.7805 -19.7805 -1.5596 -1.5596 -1.5596 -1.5596 7.5181 7.5181 7.5181 7.5181 10.2239 10.2239 10.2239 10.2239 10.4208 10.4208 10.4208 10.4208 13.5802 13.5802 13.5802 13.5802 13.8914 13.8914 13.8914 13.8914 13.9469 13.9469 13.9469 13.9469 k = 0.0818 0.0472 0.2562 ( 4936 PWs) bands (ev): -43.8019 -43.8019 -43.8019 -43.8019 -20.4868 -20.4868 -20.4868 -20.4868 -19.8661 -19.8661 -19.8661 -19.8661 -19.7820 -19.7820 -19.7820 -19.7820 -1.5456 -1.5456 -1.5456 -1.5456 7.5228 7.5228 7.5228 7.5228 10.1687 10.1687 10.1687 10.1687 10.4107 10.4107 10.4107 10.4107 13.5755 13.5755 13.5755 13.5755 13.8959 13.8959 13.8959 13.8959 13.9467 13.9467 13.9467 13.9467 k = 0.0909 0.0525 0.2562 ( 4944 PWs) bands (ev): -43.8016 -43.8016 -43.8016 -43.8016 -20.4874 -20.4874 -20.4874 -20.4874 -19.8665 -19.8665 -19.8665 -19.8665 -19.7836 -19.7836 -19.7836 -19.7836 -1.5300 -1.5300 -1.5300 -1.5300 7.5277 7.5277 7.5277 7.5277 10.1091 10.1091 10.1091 10.1091 10.3996 10.3996 10.3996 10.3996 13.5600 13.5600 13.5600 13.5600 13.9097 13.9097 13.9097 13.9097 13.9477 13.9477 13.9477 13.9477 k = 0.1000 0.0577 0.2562 ( 4940 PWs) bands (ev): -43.8013 -43.8013 -43.8013 -43.8013 -20.4882 -20.4882 -20.4882 -20.4882 -19.8670 -19.8670 -19.8670 -19.8670 -19.7853 -19.7853 -19.7853 -19.7853 -1.5130 -1.5130 -1.5130 -1.5130 7.5327 7.5327 7.5327 7.5327 10.0456 10.0456 10.0456 10.0456 10.3875 10.3875 10.3875 10.3875 13.5344 13.5344 13.5344 13.5344 13.9306 13.9306 13.9306 13.9306 13.9513 13.9513 13.9513 13.9513 k = 0.1091 0.0630 0.2562 ( 4940 PWs) bands (ev): -43.8010 -43.8010 -43.8010 -43.8010 -20.4890 -20.4890 -20.4890 -20.4890 -19.8675 -19.8675 -19.8675 -19.8675 -19.7872 -19.7872 -19.7872 -19.7872 -1.4944 -1.4944 -1.4944 -1.4944 7.5377 7.5377 7.5377 7.5377 9.9788 9.9788 9.9788 9.9788 10.3744 10.3744 10.3744 10.3744 13.5005 13.5005 13.5005 13.5005 13.9460 13.9460 13.9460 13.9461 13.9685 13.9685 13.9685 13.9685 k = 0.1182 0.0682 0.2562 ( 4930 PWs) bands (ev): -43.8007 -43.8007 -43.8007 -43.8007 -20.4898 -20.4898 -20.4898 -20.4898 -19.8681 -19.8681 -19.8681 -19.8681 -19.7892 -19.7892 -19.7892 -19.7892 -1.4744 -1.4744 -1.4744 -1.4744 7.5425 7.5425 7.5425 7.5425 9.9092 9.9092 9.9092 9.9092 10.3604 10.3604 10.3604 10.3604 13.4603 13.4603 13.4603 13.4603 13.9521 13.9521 13.9521 13.9521 14.0012 14.0012 14.0012 14.0012 k = 0.1273 0.0735 0.2562 ( 4936 PWs) bands (ev): -43.8003 -43.8003 -43.8003 -43.8003 -20.4908 -20.4908 -20.4908 -20.4908 -19.8688 -19.8688 -19.8688 -19.8688 -19.7912 -19.7912 -19.7912 -19.7912 -1.4529 -1.4529 -1.4529 -1.4529 7.5470 7.5470 7.5470 7.5470 9.8374 9.8374 9.8374 9.8374 10.3454 10.3454 10.3454 10.3454 13.4153 13.4153 13.4153 13.4153 13.9580 13.9580 13.9580 13.9580 14.0386 14.0386 14.0386 14.0386 k = 0.1364 0.0787 0.2562 ( 4936 PWs) bands (ev): -43.7999 -43.7999 -43.7999 -43.7999 -20.4917 -20.4917 -20.4917 -20.4917 -19.8695 -19.8695 -19.8695 -19.8695 -19.7934 -19.7934 -19.7934 -19.7934 -1.4301 -1.4301 -1.4301 -1.4301 7.5509 7.5509 7.5509 7.5509 9.7639 9.7639 9.7639 9.7639 10.3295 10.3295 10.3295 10.3295 13.3669 13.3669 13.3669 13.3669 13.9652 13.9652 13.9652 13.9652 14.0783 14.0783 14.0783 14.0783 k = 0.1455 0.0840 0.2562 ( 4936 PWs) bands (ev): -43.7995 -43.7995 -43.7995 -43.7995 -20.4928 -20.4928 -20.4928 -20.4928 -19.8703 -19.8703 -19.8703 -19.8703 -19.7956 -19.7956 -19.7956 -19.7956 -1.4059 -1.4059 -1.4059 -1.4059 7.5540 7.5540 7.5540 7.5540 9.6892 9.6892 9.6892 9.6892 10.3127 10.3127 10.3127 10.3127 13.3161 13.3161 13.3161 13.3161 13.9740 13.9740 13.9740 13.9740 14.1189 14.1189 14.1189 14.1189 k = 0.1545 0.0892 0.2562 ( 4936 PWs) bands (ev): -43.7990 -43.7990 -43.7990 -43.7990 -20.4939 -20.4939 -20.4939 -20.4939 -19.8711 -19.8711 -19.8711 -19.8711 -19.7978 -19.7978 -19.7978 -19.7978 -1.3805 -1.3805 -1.3805 -1.3805 7.5562 7.5562 7.5562 7.5562 9.6137 9.6137 9.6137 9.6137 10.2951 10.2951 10.2951 10.2951 13.2635 13.2635 13.2635 13.2635 13.9847 13.9847 13.9847 13.9847 14.1598 14.1598 14.1598 14.1598 k = 0.1636 0.0945 0.2562 ( 4924 PWs) bands (ev): -43.7986 -43.7986 -43.7986 -43.7986 -20.4951 -20.4951 -20.4951 -20.4951 -19.8720 -19.8720 -19.8720 -19.8720 -19.8002 -19.8002 -19.8002 -19.8002 -1.3538 -1.3538 -1.3538 -1.3538 7.5571 7.5571 7.5571 7.5571 9.5380 9.5380 9.5380 9.5380 10.2767 10.2767 10.2767 10.2767 13.2100 13.2100 13.2100 13.2100 13.9973 13.9973 13.9973 13.9973 14.2003 14.2003 14.2003 14.2003 k = 0.1727 0.0997 0.2562 ( 4932 PWs) bands (ev): -43.7981 -43.7981 -43.7981 -43.7981 -20.4963 -20.4963 -20.4963 -20.4963 -19.8730 -19.8730 -19.8730 -19.8730 -19.8025 -19.8025 -19.8025 -19.8025 -1.3260 -1.3260 -1.3260 -1.3260 7.5565 7.5565 7.5565 7.5565 9.4625 9.4625 9.4625 9.4625 10.2575 10.2575 10.2575 10.2575 13.1560 13.1560 13.1560 13.1560 14.0118 14.0118 14.0118 14.0118 14.2402 14.2402 14.2402 14.2402 k = 0.1818 0.1050 0.2562 ( 4932 PWs) bands (ev): -43.7977 -43.7977 -43.7977 -43.7977 -20.4976 -20.4976 -20.4976 -20.4976 -19.8741 -19.8741 -19.8741 -19.8741 -19.8048 -19.8048 -19.8048 -19.8048 -1.2970 -1.2970 -1.2970 -1.2970 7.5541 7.5541 7.5541 7.5541 9.3879 9.3879 9.3879 9.3879 10.2378 10.2378 10.2378 10.2378 13.1020 13.1020 13.1020 13.1020 14.0285 14.0285 14.0285 14.0285 14.2790 14.2790 14.2790 14.2790 k = 0.1909 0.1102 0.2562 ( 4938 PWs) bands (ev): -43.7972 -43.7972 -43.7972 -43.7972 -20.4989 -20.4989 -20.4989 -20.4989 -19.8752 -19.8752 -19.8752 -19.8752 -19.8072 -19.8072 -19.8072 -19.8072 -1.2670 -1.2670 -1.2670 -1.2670 7.5496 7.5496 7.5496 7.5496 9.3145 9.3145 9.3145 9.3145 10.2174 10.2174 10.2174 10.2174 13.0484 13.0484 13.0484 13.0484 14.0472 14.0472 14.0472 14.0472 14.3166 14.3166 14.3166 14.3166 k = 0.2000 0.1155 0.2562 ( 4938 PWs) bands (ev): -43.7967 -43.7967 -43.7967 -43.7967 -20.5003 -20.5003 -20.5003 -20.5003 -19.8764 -19.8764 -19.8764 -19.8764 -19.8095 -19.8095 -19.8095 -19.8095 -1.2360 -1.2360 -1.2360 -1.2360 7.5426 7.5426 7.5426 7.5426 9.2428 9.2428 9.2428 9.2428 10.1965 10.1965 10.1965 10.1965 12.9957 12.9957 12.9957 12.9957 14.0681 14.0681 14.0681 14.0681 14.3530 14.3530 14.3530 14.3530 k = 0.2091 0.1207 0.2562 ( 4936 PWs) bands (ev): -43.7962 -43.7962 -43.7962 -43.7962 -20.5017 -20.5017 -20.5017 -20.5017 -19.8777 -19.8777 -19.8777 -19.8777 -19.8118 -19.8118 -19.8118 -19.8118 -1.2041 -1.2041 -1.2041 -1.2041 7.5328 7.5328 7.5328 7.5328 9.1734 9.1734 9.1734 9.1734 10.1752 10.1752 10.1752 10.1752 12.9440 12.9440 12.9440 12.9440 14.0910 14.0910 14.0910 14.0910 14.3881 14.3881 14.3881 14.3881 k = 0.2182 0.1260 0.2562 ( 4944 PWs) bands (ev): -43.7956 -43.7956 -43.7956 -43.7956 -20.5032 -20.5032 -20.5032 -20.5032 -19.8791 -19.8791 -19.8791 -19.8791 -19.8140 -19.8140 -19.8140 -19.8140 -1.1714 -1.1714 -1.1714 -1.1714 7.5200 7.5200 7.5200 7.5200 9.1067 9.1067 9.1067 9.1067 10.1535 10.1535 10.1535 10.1535 12.8937 12.8937 12.8937 12.8937 14.1161 14.1161 14.1161 14.1161 14.4220 14.4220 14.4220 14.4220 k = 0.2273 0.1312 0.2562 ( 4936 PWs) bands (ev): -43.7951 -43.7951 -43.7951 -43.7951 -20.5047 -20.5047 -20.5047 -20.5047 -19.8805 -19.8805 -19.8805 -19.8805 -19.8161 -19.8161 -19.8161 -19.8161 -1.1379 -1.1379 -1.1379 -1.1379 7.5037 7.5037 7.5037 7.5037 9.0432 9.0432 9.0432 9.0432 10.1316 10.1316 10.1316 10.1316 12.8451 12.8451 12.8451 12.8451 14.1433 14.1433 14.1433 14.1433 14.4548 14.4548 14.4548 14.4548 k = 0.2364 0.1365 0.2562 ( 4928 PWs) bands (ev): -43.7946 -43.7946 -43.7946 -43.7946 -20.5062 -20.5062 -20.5062 -20.5062 -19.8820 -19.8820 -19.8820 -19.8820 -19.8182 -19.8182 -19.8182 -19.8182 -1.1038 -1.1038 -1.1038 -1.1038 7.4838 7.4838 7.4838 7.4838 8.9833 8.9833 8.9833 8.9833 10.1095 10.1095 10.1095 10.1095 12.7983 12.7983 12.7983 12.7983 14.1725 14.1725 14.1725 14.1725 14.4868 14.4868 14.4868 14.4868 k = 0.2455 0.1417 0.2562 ( 4928 PWs) bands (ev): -43.7941 -43.7941 -43.7941 -43.7941 -20.5077 -20.5077 -20.5077 -20.5077 -19.8836 -19.8836 -19.8836 -19.8836 -19.8202 -19.8202 -19.8202 -19.8202 -1.0691 -1.0691 -1.0691 -1.0691 7.4601 7.4601 7.4601 7.4601 8.9273 8.9273 8.9273 8.9273 10.0872 10.0872 10.0872 10.0872 12.7535 12.7535 12.7535 12.7535 14.2036 14.2036 14.2036 14.2036 14.5181 14.5181 14.5181 14.5181 k = 0.2545 0.1470 0.2562 ( 4926 PWs) bands (ev): -43.7935 -43.7935 -43.7935 -43.7935 -20.5093 -20.5093 -20.5093 -20.5093 -19.8853 -19.8853 -19.8853 -19.8853 -19.8222 -19.8222 -19.8222 -19.8222 -1.0339 -1.0339 -1.0339 -1.0339 7.4323 7.4323 7.4323 7.4323 8.8755 8.8755 8.8755 8.8755 10.0649 10.0649 10.0649 10.0649 12.7109 12.7109 12.7109 12.7109 14.2368 14.2368 14.2368 14.2368 14.5489 14.5489 14.5489 14.5489 k = 0.2636 0.1522 0.2562 ( 4934 PWs) bands (ev): -43.7930 -43.7930 -43.7930 -43.7930 -20.5109 -20.5109 -20.5109 -20.5109 -19.8870 -19.8870 -19.8870 -19.8870 -19.8240 -19.8240 -19.8240 -19.8240 -0.9983 -0.9983 -0.9983 -0.9983 7.4006 7.4006 7.4006 7.4006 8.8280 8.8280 8.8280 8.8280 10.0427 10.0427 10.0427 10.0427 12.6706 12.6706 12.6706 12.6706 14.2718 14.2718 14.2718 14.2718 14.5795 14.5795 14.5795 14.5795 k = 0.2727 0.1575 0.2562 ( 4934 PWs) bands (ev): -43.7925 -43.7925 -43.7925 -43.7925 -20.5125 -20.5125 -20.5125 -20.5125 -19.8888 -19.8888 -19.8888 -19.8888 -19.8257 -19.8257 -19.8257 -19.8257 -0.9625 -0.9625 -0.9625 -0.9625 7.3650 7.3650 7.3650 7.3650 8.7848 8.7848 8.7848 8.7848 10.0206 10.0206 10.0206 10.0206 12.6327 12.6327 12.6327 12.6327 14.3085 14.3085 14.3085 14.3085 14.6101 14.6101 14.6101 14.6101 k = 0.2818 0.1627 0.2562 ( 4934 PWs) bands (ev): -43.7919 -43.7919 -43.7919 -43.7919 -20.5141 -20.5141 -20.5141 -20.5141 -19.8907 -19.8907 -19.8907 -19.8907 -19.8273 -19.8273 -19.8273 -19.8273 -0.9265 -0.9265 -0.9265 -0.9265 7.3258 7.3258 7.3258 7.3258 8.7460 8.7460 8.7460 8.7460 9.9987 9.9987 9.9987 9.9987 12.5972 12.5972 12.5972 12.5972 14.3470 14.3470 14.3470 14.3470 14.6408 14.6408 14.6408 14.6408 k = 0.2909 0.1680 0.2562 ( 4932 PWs) bands (ev): -43.7914 -43.7914 -43.7914 -43.7914 -20.5157 -20.5157 -20.5157 -20.5157 -19.8926 -19.8926 -19.8926 -19.8926 -19.8288 -19.8288 -19.8288 -19.8288 -0.8905 -0.8905 -0.8905 -0.8905 7.2833 7.2833 7.2833 7.2833 8.7114 8.7114 8.7114 8.7114 9.9771 9.9771 9.9771 9.9771 12.5642 12.5642 12.5642 12.5642 14.3871 14.3871 14.3871 14.3871 14.6718 14.6718 14.6718 14.6718 k = 0.3000 0.1732 0.2562 ( 4936 PWs) bands (ev): -43.7909 -43.7909 -43.7909 -43.7909 -20.5173 -20.5173 -20.5173 -20.5173 -19.8945 -19.8945 -19.8945 -19.8945 -19.8302 -19.8302 -19.8302 -19.8302 -0.8545 -0.8545 -0.8545 -0.8545 7.2378 7.2378 7.2378 7.2378 8.6807 8.6807 8.6807 8.6807 9.9559 9.9559 9.9559 9.9559 12.5336 12.5336 12.5336 12.5336 14.4287 14.4287 14.4287 14.4287 14.7033 14.7033 14.7033 14.7033 k = 0.3091 0.1785 0.2562 ( 4930 PWs) bands (ev): -43.7904 -43.7904 -43.7904 -43.7904 -20.5189 -20.5189 -20.5189 -20.5189 -19.8965 -19.8965 -19.8965 -19.8965 -19.8315 -19.8315 -19.8315 -19.8315 -0.8188 -0.8188 -0.8188 -0.8188 7.1899 7.1899 7.1899 7.1899 8.6536 8.6536 8.6536 8.6536 9.9351 9.9351 9.9351 9.9351 12.5056 12.5056 12.5056 12.5056 14.4718 14.4718 14.4718 14.4718 14.7354 14.7354 14.7354 14.7354 k = 0.3182 0.1837 0.2562 ( 4932 PWs) bands (ev): -43.7899 -43.7899 -43.7899 -43.7899 -20.5205 -20.5205 -20.5205 -20.5205 -19.8984 -19.8984 -19.8984 -19.8984 -19.8327 -19.8327 -19.8327 -19.8327 -0.7833 -0.7833 -0.7833 -0.7833 7.1400 7.1400 7.1400 7.1400 8.6298 8.6298 8.6298 8.6298 9.9148 9.9148 9.9148 9.9148 12.4799 12.4799 12.4799 12.4799 14.5161 14.5161 14.5161 14.5161 14.7682 14.7682 14.7682 14.7682 k = 0.3273 0.1890 0.2562 ( 4934 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5220 -20.5220 -20.5220 -20.5220 -19.9004 -19.9004 -19.9004 -19.9004 -19.8338 -19.8338 -19.8338 -19.8338 -0.7483 -0.7483 -0.7483 -0.7483 7.0888 7.0888 7.0888 7.0888 8.6089 8.6089 8.6089 8.6089 9.8951 9.8951 9.8951 9.8951 12.4566 12.4566 12.4566 12.4566 14.5617 14.5617 14.5617 14.5617 14.8016 14.8016 14.8016 14.8016 k = 0.3364 0.1942 0.2562 ( 4938 PWs) bands (ev): -43.7890 -43.7890 -43.7890 -43.7890 -20.5236 -20.5236 -20.5236 -20.5236 -19.9023 -19.9023 -19.9023 -19.9023 -19.8348 -19.8348 -19.8348 -19.8348 -0.7139 -0.7139 -0.7139 -0.7139 7.0368 7.0368 7.0368 7.0368 8.5906 8.5906 8.5906 8.5906 9.8760 9.8760 9.8760 9.8760 12.4357 12.4357 12.4357 12.4357 14.6083 14.6083 14.6083 14.6083 14.8358 14.8358 14.8358 14.8358 k = 0.3455 0.1994 0.2562 ( 4946 PWs) bands (ev): -43.7885 -43.7885 -43.7885 -43.7885 -20.5250 -20.5250 -20.5250 -20.5250 -19.9042 -19.9042 -19.9042 -19.9042 -19.8357 -19.8357 -19.8357 -19.8357 -0.6803 -0.6803 -0.6803 -0.6803 6.9846 6.9846 6.9846 6.9846 8.5746 8.5746 8.5746 8.5746 9.8576 9.8576 9.8576 9.8576 12.4169 12.4169 12.4169 12.4169 14.6558 14.6558 14.6558 14.6558 14.8707 14.8707 14.8707 14.8707 k = 0.3545 0.2047 0.2562 ( 4942 PWs) bands (ev): -43.7881 -43.7881 -43.7881 -43.7881 -20.5265 -20.5265 -20.5265 -20.5265 -19.9061 -19.9061 -19.9061 -19.9061 -19.8365 -19.8365 -19.8365 -19.8365 -0.6475 -0.6475 -0.6475 -0.6475 6.9326 6.9326 6.9326 6.9326 8.5606 8.5606 8.5606 8.5606 9.8399 9.8399 9.8399 9.8399 12.4002 12.4002 12.4002 12.4002 14.7043 14.7043 14.7043 14.7043 14.9062 14.9062 14.9062 14.9062 k = 0.3636 0.2099 0.2562 ( 4946 PWs) bands (ev): -43.7877 -43.7877 -43.7877 -43.7877 -20.5279 -20.5279 -20.5279 -20.5279 -19.9079 -19.9079 -19.9079 -19.9079 -19.8373 -19.8373 -19.8373 -19.8373 -0.6157 -0.6157 -0.6157 -0.6157 6.8813 6.8813 6.8813 6.8813 8.5483 8.5483 8.5483 8.5483 9.8231 9.8231 9.8231 9.8231 12.3854 12.3854 12.3854 12.3854 14.7534 14.7534 14.7534 14.7534 14.9423 14.9423 14.9423 14.9423 k = 0.3727 0.2152 0.2562 ( 4946 PWs) bands (ev): -43.7873 -43.7873 -43.7873 -43.7873 -20.5292 -20.5292 -20.5292 -20.5292 -19.9096 -19.9096 -19.9096 -19.9096 -19.8380 -19.8380 -19.8380 -19.8380 -0.5851 -0.5851 -0.5851 -0.5851 6.8312 6.8312 6.8312 6.8312 8.5374 8.5374 8.5374 8.5374 9.8071 9.8071 9.8071 9.8071 12.3726 12.3726 12.3726 12.3726 14.8030 14.8030 14.8030 14.8030 14.9787 14.9787 14.9787 14.9787 k = 0.3818 0.2204 0.2562 ( 4942 PWs) bands (ev): -43.7869 -43.7869 -43.7869 -43.7869 -20.5305 -20.5305 -20.5305 -20.5305 -19.9113 -19.9113 -19.9113 -19.9113 -19.8386 -19.8386 -19.8386 -19.8386 -0.5558 -0.5558 -0.5558 -0.5558 6.7828 6.7828 6.7828 6.7828 8.5278 8.5278 8.5278 8.5278 9.7920 9.7920 9.7920 9.7920 12.3614 12.3614 12.3614 12.3614 14.8531 14.8531 14.8531 14.8531 15.0153 15.0153 15.0153 15.0153 k = 0.3909 0.2257 0.2562 ( 4950 PWs) bands (ev): -43.7866 -43.7866 -43.7866 -43.7866 -20.5317 -20.5317 -20.5317 -20.5317 -19.9128 -19.9128 -19.9128 -19.9128 -19.8392 -19.8392 -19.8392 -19.8392 -0.5279 -0.5279 -0.5279 -0.5279 6.7364 6.7364 6.7364 6.7364 8.5194 8.5194 8.5194 8.5194 9.7779 9.7779 9.7779 9.7779 12.3518 12.3518 12.3518 12.3518 14.9034 14.9034 14.9034 14.9034 15.0518 15.0518 15.0518 15.0518 k = 0.4000 0.2309 0.2562 ( 4952 PWs) bands (ev): -43.7862 -43.7862 -43.7862 -43.7862 -20.5328 -20.5328 -20.5328 -20.5328 -19.9143 -19.9143 -19.9143 -19.9143 -19.8397 -19.8397 -19.8397 -19.8397 -0.5017 -0.5017 -0.5017 -0.5017 6.6923 6.6923 6.6923 6.6923 8.5119 8.5119 8.5119 8.5119 9.7647 9.7647 9.7647 9.7647 12.3436 12.3436 12.3436 12.3436 14.9538 14.9538 14.9538 14.9538 15.0880 15.0880 15.0880 15.0880 k = 0.4091 0.2362 0.2562 ( 4952 PWs) bands (ev): -43.7859 -43.7859 -43.7859 -43.7859 -20.5339 -20.5339 -20.5339 -20.5339 -19.9157 -19.9157 -19.9157 -19.9157 -19.8401 -19.8401 -19.8401 -19.8401 -0.4772 -0.4772 -0.4772 -0.4772 6.6510 6.6510 6.6510 6.6510 8.5053 8.5053 8.5053 8.5053 9.7526 9.7526 9.7526 9.7526 12.3367 12.3367 12.3367 12.3367 15.0041 15.0041 15.0041 15.0041 15.1234 15.1234 15.1234 15.1234 k = 0.4182 0.2414 0.2562 ( 4952 PWs) bands (ev): -43.7857 -43.7857 -43.7857 -43.7857 -20.5348 -20.5348 -20.5348 -20.5348 -19.9170 -19.9170 -19.9170 -19.9170 -19.8405 -19.8405 -19.8405 -19.8405 -0.4545 -0.4545 -0.4545 -0.4545 6.6128 6.6128 6.6128 6.6128 8.4995 8.4995 8.4995 8.4995 9.7415 9.7415 9.7415 9.7415 12.3309 12.3309 12.3309 12.3309 15.0540 15.0540 15.0540 15.0540 15.1577 15.1577 15.1577 15.1577 k = 0.4273 0.2467 0.2562 ( 4958 PWs) bands (ev): -43.7854 -43.7854 -43.7854 -43.7854 -20.5357 -20.5357 -20.5357 -20.5357 -19.9181 -19.9181 -19.9181 -19.9181 -19.8408 -19.8408 -19.8408 -19.8408 -0.4338 -0.4338 -0.4338 -0.4338 6.5778 6.5778 6.5778 6.5778 8.4945 8.4945 8.4945 8.4945 9.7315 9.7315 9.7315 9.7315 12.3261 12.3261 12.3261 12.3261 15.1033 15.1033 15.1033 15.1033 15.1905 15.1905 15.1905 15.1905 k = 0.4364 0.2519 0.2562 ( 4962 PWs) bands (ev): -43.7852 -43.7852 -43.7852 -43.7852 -20.5365 -20.5365 -20.5365 -20.5365 -19.9192 -19.9192 -19.9192 -19.9192 -19.8411 -19.8411 -19.8411 -19.8411 -0.4153 -0.4153 -0.4153 -0.4153 6.5463 6.5463 6.5463 6.5463 8.4901 8.4901 8.4901 8.4901 9.7227 9.7227 9.7227 9.7227 12.3223 12.3223 12.3223 12.3223 15.1515 15.1515 15.1515 15.1515 15.2213 15.2213 15.2213 15.2213 k = 0.4455 0.2572 0.2562 ( 4970 PWs) bands (ev): -43.7850 -43.7850 -43.7850 -43.7850 -20.5372 -20.5372 -20.5372 -20.5372 -19.9201 -19.9201 -19.9201 -19.9201 -19.8414 -19.8414 -19.8414 -19.8414 -0.3990 -0.3990 -0.3990 -0.3990 6.5186 6.5186 6.5186 6.5186 8.4863 8.4863 8.4863 8.4863 9.7149 9.7149 9.7149 9.7149 12.3191 12.3191 12.3191 12.3191 15.1982 15.1982 15.1982 15.1982 15.2498 15.2498 15.2498 15.2498 k = 0.4545 0.2624 0.2562 ( 4974 PWs) bands (ev): -43.7848 -43.7848 -43.7848 -43.7848 -20.5378 -20.5378 -20.5378 -20.5378 -19.9208 -19.9208 -19.9208 -19.9208 -19.8416 -19.8416 -19.8416 -19.8416 -0.3850 -0.3850 -0.3850 -0.3850 6.4949 6.4949 6.4949 6.4949 8.4832 8.4832 8.4832 8.4832 9.7083 9.7083 9.7083 9.7083 12.3167 12.3167 12.3167 12.3167 15.2422 15.2422 15.2422 15.2422 15.2759 15.2759 15.2759 15.2759 k = 0.4636 0.2677 0.2562 ( 4962 PWs) bands (ev): -43.7847 -43.7847 -43.7847 -43.7847 -20.5382 -20.5382 -20.5382 -20.5382 -19.9215 -19.9215 -19.9215 -19.9215 -19.8418 -19.8418 -19.8418 -19.8418 -0.3735 -0.3735 -0.3735 -0.3735 6.4752 6.4752 6.4752 6.4752 8.4806 8.4806 8.4806 8.4806 9.7029 9.7029 9.7029 9.7029 12.3148 12.3148 12.3148 12.3148 15.2803 15.2803 15.2803 15.2803 15.3013 15.3013 15.3013 15.3013 k = 0.4727 0.2729 0.2562 ( 4964 PWs) bands (ev): -43.7846 -43.7846 -43.7846 -43.7846 -20.5386 -20.5386 -20.5386 -20.5386 -19.9220 -19.9220 -19.9220 -19.9220 -19.8419 -19.8419 -19.8419 -19.8419 -0.3644 -0.3644 -0.3644 -0.3644 6.4598 6.4598 6.4598 6.4598 8.4787 8.4787 8.4787 8.4787 9.6987 9.6987 9.6987 9.6987 12.3134 12.3134 12.3134 12.3134 15.3057 15.3057 15.3057 15.3057 15.3310 15.3310 15.3310 15.3310 k = 0.4818 0.2782 0.2562 ( 4964 PWs) bands (ev): -43.7845 -43.7845 -43.7845 -43.7845 -20.5389 -20.5389 -20.5389 -20.5389 -19.9223 -19.9223 -19.9223 -19.9223 -19.8420 -19.8420 -19.8420 -19.8420 -0.3579 -0.3579 -0.3579 -0.3579 6.4487 6.4487 6.4487 6.4487 8.4773 8.4773 8.4773 8.4773 9.6957 9.6957 9.6957 9.6957 12.3125 12.3125 12.3125 12.3125 15.3205 15.3205 15.3205 15.3205 15.3602 15.3602 15.3602 15.3602 k = 0.4909 0.2834 0.2562 ( 4956 PWs) bands (ev): -43.7845 -43.7845 -43.7845 -43.7845 -20.5391 -20.5391 -20.5391 -20.5391 -19.9225 -19.9225 -19.9225 -19.9225 -19.8420 -19.8420 -19.8420 -19.8420 -0.3539 -0.3539 -0.3539 -0.3539 6.4420 6.4420 6.4420 6.4420 8.4764 8.4764 8.4764 8.4764 9.6939 9.6939 9.6939 9.6939 12.3120 12.3120 12.3120 12.3120 15.3288 15.3288 15.3288 15.3288 15.3809 15.3809 15.3809 15.3809 k = 0.5000 0.2887 0.2562 ( 4952 PWs) bands (ev): -43.7845 -43.7845 -43.7845 -43.7845 -20.5391 -20.5391 -20.5391 -20.5391 -19.9226 -19.9226 -19.9226 -19.9226 -19.8421 -19.8421 -19.8421 -19.8421 -0.3526 -0.3526 -0.3526 -0.3526 6.4398 6.4398 6.4398 6.4398 8.4761 8.4761 8.4761 8.4761 9.6933 9.6933 9.6933 9.6933 12.3118 12.3118 12.3118 12.3118 15.3316 15.3316 15.3316 15.3316 15.3885 15.3885 15.3885 15.3885 k = 0.5000 0.2887 0.2562 ( 4952 PWs) bands (ev): -43.7845 -43.7845 -43.7845 -43.7845 -20.5391 -20.5391 -20.5391 -20.5391 -19.9226 -19.9226 -19.9226 -19.9226 -19.8421 -19.8421 -19.8421 -19.8421 -0.3526 -0.3526 -0.3526 -0.3526 6.4398 6.4398 6.4398 6.4398 8.4761 8.4761 8.4761 8.4761 9.6933 9.6933 9.6933 9.6933 12.3118 12.3118 12.3118 12.3118 15.3316 15.3316 15.3316 15.3316 15.3885 15.3885 15.3885 15.3885 k = 0.4948 0.2977 0.2562 ( 4952 PWs) bands (ev): -43.7845 -43.7845 -43.7845 -43.7845 -20.5392 -20.5392 -20.5391 -20.5391 -19.9226 -19.9226 -19.9225 -19.9225 -19.8422 -19.8422 -19.8421 -19.8421 -0.3524 -0.3524 -0.3521 -0.3521 6.4407 6.4407 6.4410 6.4410 8.4758 8.4758 8.4761 8.4761 9.6880 9.6880 9.6891 9.6891 12.3142 12.3142 12.3148 12.3148 15.3164 15.3164 15.3299 15.3299 15.3886 15.3886 15.4021 15.4021 k = 0.4896 0.3067 0.2562 ( 4960 PWs) bands (ev): -43.7844 -43.7844 -43.7844 -43.7844 -20.5393 -20.5393 -20.5390 -20.5390 -19.9226 -19.9226 -19.9224 -19.9224 -19.8424 -19.8424 -19.8423 -19.8423 -0.3515 -0.3515 -0.3508 -0.3508 6.4439 6.4439 6.4445 6.4445 8.4752 8.4752 8.4757 8.4757 9.6734 9.6734 9.6757 9.6757 12.3221 12.3221 12.3232 12.3232 15.2949 15.2949 15.3128 15.3128 15.4010 15.4010 15.4187 15.4187 k = 0.4844 0.3157 0.2562 ( 4964 PWs) bands (ev): -43.7844 -43.7844 -43.7844 -43.7844 -20.5393 -20.5393 -20.5390 -20.5390 -19.9225 -19.9225 -19.9222 -19.9222 -19.8429 -19.8429 -19.8427 -19.8427 -0.3499 -0.3499 -0.3488 -0.3488 6.4493 6.4493 6.4501 6.4501 8.4743 8.4743 8.4751 8.4751 9.6499 9.6499 9.6533 9.6533 12.3352 12.3352 12.3369 12.3369 15.2714 15.2714 15.2903 15.2903 15.4150 15.4150 15.4333 15.4333 k = 0.4792 0.3248 0.2562 ( 4964 PWs) bands (ev): -43.7844 -43.7844 -43.7844 -43.7844 -20.5394 -20.5394 -20.5389 -20.5389 -19.9223 -19.9223 -19.9219 -19.9219 -19.8434 -19.8434 -19.8432 -19.8432 -0.3476 -0.3476 -0.3462 -0.3462 6.4569 6.4569 6.4580 6.4580 8.4730 8.4730 8.4740 8.4740 9.6177 9.6177 9.6222 9.6222 12.3531 12.3531 12.3553 12.3553 15.2473 15.2473 15.2663 15.2663 15.4258 15.4258 15.4432 15.4432 k = 0.4740 0.3338 0.2562 ( 4956 PWs) bands (ev): -43.7843 -43.7843 -43.7843 -43.7843 -20.5395 -20.5395 -20.5389 -20.5389 -19.9220 -19.9220 -19.9216 -19.9216 -19.8441 -19.8441 -19.8439 -19.8439 -0.3446 -0.3446 -0.3428 -0.3428 6.4667 6.4667 6.4681 6.4681 8.4715 8.4715 8.4727 8.4727 9.5775 9.5775 9.5830 9.5830 12.3756 12.3756 12.3783 12.3783 15.2233 15.2233 15.2421 15.2421 15.4308 15.4308 15.4462 15.4462 k = 0.4688 0.3428 0.2562 ( 4950 PWs) bands (ev): -43.7843 -43.7843 -43.7843 -43.7843 -20.5396 -20.5396 -20.5389 -20.5389 -19.9217 -19.9217 -19.9212 -19.9212 -19.8450 -19.8450 -19.8447 -19.8447 -0.3410 -0.3410 -0.3388 -0.3388 6.4787 6.4787 6.4803 6.4803 8.4696 8.4696 8.4711 8.4711 9.5298 9.5298 9.5364 9.5364 12.4021 12.4021 12.4052 12.4052 15.1999 15.1999 15.2182 15.2182 15.4283 15.4283 15.4410 15.4410 k = 0.4635 0.3518 0.2562 ( 4950 PWs) bands (ev): -43.7842 -43.7842 -43.7842 -43.7842 -20.5398 -20.5398 -20.5388 -20.5388 -19.9214 -19.9214 -19.9207 -19.9207 -19.8460 -19.8460 -19.8456 -19.8456 -0.3367 -0.3367 -0.3341 -0.3341 6.4928 6.4928 6.4946 6.4946 8.4674 8.4674 8.4691 8.4691 9.4753 9.4753 9.4829 9.4829 12.4321 12.4321 12.4356 12.4356 15.1772 15.1772 15.1949 15.1949 15.4177 15.4177 15.4276 15.4276 k = 0.4583 0.3608 0.2562 ( 4946 PWs) bands (ev): -43.7842 -43.7842 -43.7842 -43.7842 -20.5399 -20.5399 -20.5388 -20.5388 -19.9210 -19.9210 -19.9202 -19.9202 -19.8471 -19.8471 -19.8467 -19.8467 -0.3318 -0.3318 -0.3289 -0.3289 6.5091 6.5091 6.5111 6.5111 8.4650 8.4650 8.4669 8.4669 9.4148 9.4148 9.4233 9.4233 12.4651 12.4651 12.4690 12.4690 15.1556 15.1556 15.1726 15.1726 15.3999 15.3999 15.4074 15.4074 k = 0.4531 0.3699 0.2562 ( 4954 PWs) bands (ev): -43.7841 -43.7841 -43.7841 -43.7841 -20.5400 -20.5400 -20.5388 -20.5388 -19.9205 -19.9205 -19.9196 -19.9196 -19.8484 -19.8484 -19.8479 -19.8479 -0.3263 -0.3263 -0.3230 -0.3230 6.5275 6.5275 6.5297 6.5297 8.4623 8.4623 8.4644 8.4644 9.3489 9.3489 9.3583 9.3583 12.5006 12.5006 12.5048 12.5048 15.1350 15.1350 15.1513 15.1513 15.3768 15.3768 15.3824 15.3824 k = 0.4479 0.3789 0.2562 ( 4958 PWs) bands (ev): -43.7840 -43.7840 -43.7840 -43.7840 -20.5401 -20.5401 -20.5389 -20.5389 -19.9199 -19.9199 -19.9190 -19.9190 -19.8498 -19.8498 -19.8492 -19.8492 -0.3203 -0.3203 -0.3166 -0.3166 6.5480 6.5480 6.5504 6.5504 8.4593 8.4593 8.4616 8.4616 9.2783 9.2783 9.2887 9.2887 12.5381 12.5381 12.5425 12.5425 15.1157 15.1157 15.1311 15.1311 15.3505 15.3505 15.3546 15.3546 k = 0.4427 0.3879 0.2562 ( 4958 PWs) bands (ev): -43.7839 -43.7839 -43.7839 -43.7839 -20.5403 -20.5403 -20.5389 -20.5389 -19.9194 -19.9194 -19.9183 -19.9183 -19.8512 -19.8512 -19.8507 -19.8507 -0.3137 -0.3137 -0.3098 -0.3098 6.5705 6.5705 6.5731 6.5731 8.4561 8.4561 8.4585 8.4585 9.2038 9.2038 9.2151 9.2151 12.5771 12.5771 12.5818 12.5818 15.0976 15.0976 15.1120 15.1120 15.3226 15.3226 15.3256 15.3256 k = 0.4375 0.3969 0.2562 ( 4954 PWs) bands (ev): -43.7838 -43.7838 -43.7838 -43.7838 -20.5404 -20.5404 -20.5389 -20.5389 -19.9187 -19.9187 -19.9176 -19.9176 -19.8528 -19.8528 -19.8522 -19.8522 -0.3067 -0.3067 -0.3025 -0.3025 6.5951 6.5951 6.5978 6.5978 8.4527 8.4527 8.4552 8.4552 9.1260 9.1260 9.1382 9.1382 12.6172 12.6172 12.6221 12.6221 15.0807 15.0807 15.0939 15.0939 15.2944 15.2944 15.2965 15.2965 k = 0.4323 0.4059 0.2562 ( 4960 PWs) bands (ev): -43.7837 -43.7837 -43.7837 -43.7837 -20.5406 -20.5406 -20.5390 -20.5390 -19.9180 -19.9180 -19.9168 -19.9168 -19.8545 -19.8545 -19.8539 -19.8539 -0.2993 -0.2993 -0.2948 -0.2948 6.6216 6.6216 6.6244 6.6244 8.4491 8.4491 8.4516 8.4516 9.0455 9.0455 9.0586 9.0586 12.6580 12.6580 12.6631 12.6631 15.0649 15.0649 15.0768 15.0768 15.2670 15.2670 15.2682 15.2682 k = 0.4271 0.4150 0.2562 ( 4962 PWs) bands (ev): -43.7836 -43.7836 -43.7836 -43.7836 -20.5407 -20.5407 -20.5390 -20.5390 -19.9173 -19.9173 -19.9159 -19.9159 -19.8562 -19.8562 -19.8556 -19.8556 -0.2916 -0.2916 -0.2867 -0.2867 6.6501 6.6501 6.6529 6.6529 8.4453 8.4453 8.4478 8.4478 8.9628 8.9628 8.9769 8.9769 12.6992 12.6992 12.7044 12.7044 15.0500 15.0500 15.0605 15.0605 15.2412 15.2412 15.2415 15.2415 k = 0.4219 0.4240 0.2562 ( 4960 PWs) bands (ev): -43.7835 -43.7835 -43.7835 -43.7835 -20.5409 -20.5409 -20.5391 -20.5391 -19.9165 -19.9165 -19.9150 -19.9150 -19.8580 -19.8580 -19.8574 -19.8574 -0.2836 -0.2836 -0.2784 -0.2784 6.6804 6.6804 6.6833 6.6833 8.4413 8.4413 8.4437 8.4437 8.8787 8.8787 8.8938 8.8938 12.7403 12.7403 12.7456 12.7456 15.0358 15.0358 15.0449 15.0449 15.2171 15.2171 15.2178 15.2178 k = 0.4167 0.4330 0.2562 ( 4960 PWs) bands (ev): -43.7834 -43.7834 -43.7834 -43.7834 -20.5411 -20.5411 -20.5392 -20.5392 -19.9157 -19.9157 -19.9141 -19.9141 -19.8599 -19.8599 -19.8593 -19.8593 -0.2753 -0.2753 -0.2699 -0.2699 6.7125 6.7125 6.7154 6.7154 8.4371 8.4371 8.4393 8.4393 8.7935 8.7935 8.8098 8.8098 12.7810 12.7810 12.7864 12.7864 15.0222 15.0222 15.0297 15.0297 15.1957 15.1957 15.1973 15.1973 k = 0.4115 0.4420 0.2562 ( 4964 PWs) bands (ev): -43.7833 -43.7833 -43.7833 -43.7833 -20.5412 -20.5412 -20.5392 -20.5392 -19.9148 -19.9148 -19.9131 -19.9131 -19.8618 -19.8618 -19.8612 -19.8612 -0.2669 -0.2669 -0.2612 -0.2612 6.7464 6.7464 6.7492 6.7492 8.4327 8.4327 8.4345 8.4345 8.7079 8.7079 8.7255 8.7255 12.8210 12.8210 12.8264 12.8264 15.0091 15.0091 15.0150 15.0150 15.1775 15.1775 15.1802 15.1802 k = 0.4062 0.4511 0.2562 ( 4968 PWs) bands (ev): -43.7832 -43.7832 -43.7832 -43.7832 -20.5414 -20.5414 -20.5393 -20.5393 -19.9139 -19.9139 -19.9121 -19.9121 -19.8637 -19.8637 -19.8632 -19.8632 -0.2584 -0.2584 -0.2524 -0.2524 6.7820 6.7820 6.7846 6.7846 8.4279 8.4279 8.4289 8.4289 8.6226 8.6226 8.6419 8.6419 12.8600 12.8600 12.8655 12.8655 14.9964 14.9964 15.0008 15.0008 15.1629 15.1629 15.1665 15.1665 k = 0.4010 0.4601 0.2562 ( 4972 PWs) bands (ev): -43.7830 -43.7830 -43.7830 -43.7830 -20.5416 -20.5416 -20.5394 -20.5394 -19.9130 -19.9130 -19.9110 -19.9110 -19.8657 -19.8657 -19.8651 -19.8651 -0.2499 -0.2499 -0.2437 -0.2437 6.8191 6.8191 6.8214 6.8214 8.4215 8.4215 8.4220 8.4220 8.5387 8.5387 8.5605 8.5605 12.8976 12.8976 12.9031 12.9031 14.9842 14.9842 14.9873 14.9873 15.1521 15.1521 15.1565 15.1565 k = 0.3958 0.4691 0.2562 ( 4976 PWs) bands (ev): -43.7829 -43.7829 -43.7829 -43.7829 -20.5418 -20.5418 -20.5395 -20.5395 -19.9120 -19.9120 -19.9099 -19.9099 -19.8676 -19.8676 -19.8671 -19.8671 -0.2415 -0.2415 -0.2350 -0.2350 6.8576 6.8576 6.8597 6.8597 8.4067 8.4067 8.4098 8.4098 8.4619 8.4619 8.4873 8.4873 12.9336 12.9336 12.9391 12.9391 14.9729 14.9729 14.9749 14.9749 15.1449 15.1449 15.1499 15.1499 k = 0.3906 0.4781 0.2562 ( 4978 PWs) bands (ev): -43.7828 -43.7828 -43.7828 -43.7828 -20.5420 -20.5420 -20.5396 -20.5396 -19.9111 -19.9111 -19.9088 -19.9088 -19.8695 -19.8695 -19.8691 -19.8691 -0.2332 -0.2332 -0.2265 -0.2265 6.8975 6.8975 6.8991 6.8991 8.3572 8.3572 8.3636 8.3636 8.4268 8.4268 8.4437 8.4437 12.9676 12.9676 12.9731 12.9731 14.9628 14.9628 14.9640 14.9640 15.1411 15.1411 15.1465 15.1465 k = 0.3854 0.4871 0.2562 ( 4966 PWs) bands (ev): -43.7827 -43.7827 -43.7827 -43.7827 -20.5421 -20.5421 -20.5398 -20.5398 -19.9101 -19.9101 -19.9077 -19.9077 -19.8714 -19.8714 -19.8711 -19.8711 -0.2252 -0.2252 -0.2183 -0.2183 6.9386 6.9386 6.9396 6.9396 8.2795 8.2795 8.2934 8.2934 8.4185 8.4185 8.4290 8.4290 12.9994 12.9994 13.0049 13.0049 14.9543 14.9543 14.9550 14.9550 15.1404 15.1404 15.1460 15.1460 k = 0.3802 0.4962 0.2562 ( 4970 PWs) bands (ev): -43.7826 -43.7826 -43.7826 -43.7826 -20.5423 -20.5423 -20.5399 -20.5399 -19.9091 -19.9091 -19.9065 -19.9065 -19.8733 -19.8733 -19.8731 -19.8731 -0.2175 -0.2175 -0.2104 -0.2104 6.9805 6.9805 6.9808 6.9808 8.2008 8.2008 8.2181 8.2181 8.4135 8.4135 8.4218 8.4218 13.0287 13.0287 13.0342 13.0342 14.9478 14.9478 14.9482 14.9482 15.1424 15.1424 15.1481 15.1481 k = 0.3750 0.5052 0.2562 ( 4974 PWs) bands (ev): -43.7825 -43.7825 -43.7825 -43.7825 -20.5425 -20.5425 -20.5400 -20.5400 -19.9082 -19.9082 -19.9054 -19.9054 -19.8750 -19.8750 -19.8750 -19.8750 -0.2102 -0.2102 -0.2029 -0.2029 7.0224 7.0224 7.0231 7.0231 8.1241 8.1241 8.1438 8.1438 8.4093 8.4093 8.4167 8.4167 13.0552 13.0552 13.0607 13.0607 14.9436 14.9436 14.9439 14.9439 15.1468 15.1468 15.1526 15.1526 k = 0.3698 0.5142 0.2562 ( 4970 PWs) bands (ev): -43.7824 -43.7824 -43.7824 -43.7824 -20.5426 -20.5426 -20.5401 -20.5401 -19.9072 -19.9072 -19.9042 -19.9042 -19.8768 -19.8768 -19.8767 -19.8767 -0.2034 -0.2034 -0.1960 -0.1960 7.0641 7.0641 7.0660 7.0660 8.0503 8.0503 8.0722 8.0722 8.4057 8.4057 8.4125 8.4125 13.0788 13.0788 13.0843 13.0843 14.9418 14.9418 14.9422 14.9422 15.1533 15.1533 15.1591 15.1591 k = 0.3646 0.5232 0.2562 ( 4978 PWs) bands (ev): -43.7824 -43.7824 -43.7824 -43.7824 -20.5428 -20.5428 -20.5402 -20.5402 -19.9063 -19.9063 -19.9031 -19.9031 -19.8785 -19.8785 -19.8782 -19.8782 -0.1972 -0.1972 -0.1897 -0.1897 7.1051 7.1051 7.1085 7.1085 7.9805 7.9805 8.0046 8.0046 8.4025 8.4025 8.4089 8.4089 13.0993 13.0993 13.1047 13.1047 14.9423 14.9423 14.9431 14.9431 15.1615 15.1615 15.1675 15.1675 k = 0.3594 0.5322 0.2562 ( 4974 PWs) bands (ev): -43.7823 -43.7823 -43.7823 -43.7823 -20.5429 -20.5429 -20.5403 -20.5403 -19.9055 -19.9055 -19.9020 -19.9020 -19.8801 -19.8801 -19.8796 -19.8796 -0.1917 -0.1917 -0.1841 -0.1841 7.1447 7.1447 7.1500 7.1500 7.9155 7.9155 7.9421 7.9421 8.3997 8.3997 8.4058 8.4058 13.1166 13.1166 13.1219 13.1219 14.9451 14.9451 14.9464 14.9464 15.1711 15.1711 15.1774 15.1774 k = 0.3542 0.5413 0.2562 ( 4982 PWs) bands (ev): -43.7822 -43.7822 -43.7822 -43.7822 -20.5430 -20.5430 -20.5404 -20.5404 -19.9048 -19.9048 -19.9010 -19.9010 -19.8816 -19.8816 -19.8808 -19.8808 -0.1870 -0.1870 -0.1793 -0.1793 7.1816 7.1816 7.1891 7.1891 7.8569 7.8569 7.8861 7.8861 8.3973 8.3973 8.4032 8.4032 13.1305 13.1305 13.1359 13.1359 14.9498 14.9498 14.9518 14.9518 15.1813 15.1813 15.1884 15.1884 k = 0.3490 0.5503 0.2562 ( 4992 PWs) bands (ev): -43.7822 -43.7822 -43.7822 -43.7822 -20.5431 -20.5431 -20.5405 -20.5405 -19.9042 -19.9042 -19.9002 -19.9002 -19.8828 -19.8828 -19.8818 -19.8818 -0.1832 -0.1832 -0.1754 -0.1754 7.2141 7.2141 7.2242 7.2242 7.8065 7.8065 7.8386 7.8386 8.3953 8.3953 8.4010 8.4010 13.1412 13.1412 13.1466 13.1466 14.9557 14.9557 14.9584 14.9584 15.1916 15.1916 15.2000 15.2000 k = 0.3438 0.5593 0.2562 ( 4998 PWs) bands (ev): -43.7822 -43.7822 -43.7822 -43.7822 -20.5432 -20.5432 -20.5405 -20.5405 -19.9038 -19.9038 -19.8995 -19.8995 -19.8837 -19.8837 -19.8825 -19.8825 -0.1803 -0.1803 -0.1725 -0.1725 7.2399 7.2399 7.2526 7.2526 7.7669 7.7669 7.8019 7.8019 8.3938 8.3938 8.3995 8.3995 13.1487 13.1487 13.1540 13.1540 14.9619 14.9619 14.9653 14.9653 15.2004 15.2004 15.2108 15.2108 k = 0.3385 0.5683 0.2562 ( 4998 PWs) bands (ev): -43.7821 -43.7821 -43.7821 -43.7821 -20.5432 -20.5432 -20.5406 -20.5406 -19.9035 -19.9035 -19.8991 -19.8991 -19.8843 -19.8843 -19.8830 -19.8830 -0.1786 -0.1786 -0.1707 -0.1707 7.2566 7.2566 7.2714 7.2714 7.7414 7.7414 7.7787 7.7787 8.3929 8.3929 8.3985 8.3985 13.1531 13.1531 13.1584 13.1584 14.9671 14.9671 14.9710 14.9710 15.2063 15.2063 15.2189 15.2189 k = 0.3333 0.5774 0.2562 ( 4998 PWs) bands (ev): -43.7821 -43.7821 -43.7821 -43.7821 -20.5433 -20.5433 -20.5406 -20.5406 -19.9034 -19.9034 -19.8989 -19.8989 -19.8845 -19.8845 -19.8831 -19.8831 -0.1780 -0.1780 -0.1701 -0.1701 7.2623 7.2623 7.2779 7.2779 7.7327 7.7327 7.7707 7.7707 8.3926 8.3926 8.3981 8.3981 13.1545 13.1545 13.1598 13.1598 14.9693 14.9693 14.9735 14.9735 15.2082 15.2082 15.2217 15.2217 k = 0.3333 0.5774 0.2562 ( 4998 PWs) bands (ev): -43.7821 -43.7821 -43.7821 -43.7821 -20.5433 -20.5433 -20.5406 -20.5406 -19.9034 -19.9034 -19.8989 -19.8989 -19.8845 -19.8845 -19.8831 -19.8831 -0.1780 -0.1780 -0.1701 -0.1701 7.2623 7.2623 7.2779 7.2779 7.7327 7.7327 7.7707 7.7707 8.3926 8.3926 8.3981 8.3981 13.1545 13.1545 13.1598 13.1598 14.9693 14.9693 14.9735 14.9735 15.2082 15.2082 15.2217 15.2217 k = 0.3281 0.5683 0.2562 ( 5002 PWs) bands (ev): -43.7821 -43.7821 -43.7821 -43.7821 -20.5432 -20.5432 -20.5406 -20.5406 -19.9035 -19.9035 -19.8991 -19.8991 -19.8843 -19.8843 -19.8830 -19.8830 -0.1786 -0.1786 -0.1708 -0.1708 7.2569 7.2569 7.2717 7.2717 7.7411 7.7411 7.7784 7.7784 8.3929 8.3929 8.3985 8.3985 13.1532 13.1532 13.1585 13.1585 14.9663 14.9663 14.9702 14.9702 15.2072 15.2072 15.2200 15.2200 k = 0.3229 0.5593 0.2562 ( 5002 PWs) bands (ev): -43.7822 -43.7822 -43.7822 -43.7822 -20.5432 -20.5432 -20.5405 -20.5405 -19.9037 -19.9037 -19.8994 -19.8994 -19.8838 -19.8838 -19.8826 -19.8826 -0.1806 -0.1806 -0.1727 -0.1727 7.2422 7.2422 7.2551 7.2551 7.7646 7.7646 7.7997 7.7997 8.3940 8.3940 8.3997 8.3997 13.1493 13.1493 13.1546 13.1546 14.9562 14.9562 14.9592 14.9592 15.2065 15.2065 15.2185 15.2185 k = 0.3177 0.5503 0.2562 ( 4996 PWs) bands (ev): -43.7822 -43.7822 -43.7822 -43.7822 -20.5431 -20.5431 -20.5404 -20.5404 -19.9041 -19.9041 -19.9000 -19.9000 -19.8829 -19.8829 -19.8819 -19.8819 -0.1839 -0.1839 -0.1761 -0.1761 7.2211 7.2211 7.2316 7.2316 7.7994 7.7994 7.8318 7.8318 8.3959 8.3959 8.4018 8.4018 13.1431 13.1431 13.1485 13.1485 14.9379 14.9379 14.9397 14.9397 15.2091 15.2091 15.2210 15.2210 k = 0.3125 0.5413 0.2562 ( 4992 PWs) bands (ev): -43.7823 -43.7823 -43.7823 -43.7823 -20.5430 -20.5430 -20.5403 -20.5403 -19.9045 -19.9045 -19.9006 -19.9006 -19.8819 -19.8819 -19.8811 -19.8811 -0.1887 -0.1887 -0.1810 -0.1810 7.1964 7.1964 7.2046 7.2046 7.8422 7.8422 7.8718 7.8718 8.3988 8.3988 8.4050 8.4050 13.1349 13.1349 13.1403 13.1403 14.9119 14.9119 14.9123 14.9123 15.2158 15.2158 15.2282 15.2282 k = 0.3073 0.5322 0.2562 ( 4992 PWs) bands (ev): -43.7823 -43.7823 -43.7823 -43.7823 -20.5428 -20.5428 -20.5401 -20.5401 -19.9049 -19.9049 -19.9013 -19.9013 -19.8807 -19.8807 -19.8801 -19.8801 -0.1950 -0.1950 -0.1874 -0.1874 7.1706 7.1706 7.1767 7.1767 7.8903 7.8903 7.9172 7.9172 8.4029 8.4029 8.4095 8.4095 13.1250 13.1250 13.1303 13.1303 14.8788 14.8788 14.8796 14.8796 15.2262 15.2262 15.2393 15.2393 k = 0.3021 0.5232 0.2562 ( 4980 PWs) bands (ev): -43.7824 -43.7824 -43.7824 -43.7824 -20.5425 -20.5425 -20.5399 -20.5399 -19.9053 -19.9053 -19.9019 -19.9019 -19.8794 -19.8794 -19.8790 -19.8790 -0.2029 -0.2029 -0.1954 -0.1954 7.1451 7.1451 7.1494 7.1494 7.9419 7.9419 7.9661 7.9661 8.4082 8.4082 8.4156 8.4156 13.1135 13.1135 13.1188 13.1188 14.8405 14.8405 14.8424 14.8424 15.2391 15.2391 15.2529 15.2529 k = 0.2969 0.5142 0.2562 ( 4968 PWs) bands (ev): -43.7825 -43.7825 -43.7825 -43.7825 -20.5422 -20.5422 -20.5397 -20.5397 -19.9057 -19.9057 -19.9025 -19.9025 -19.8780 -19.8780 -19.8778 -19.8778 -0.2124 -0.2124 -0.2050 -0.2050 7.1211 7.1211 7.1240 7.1240 7.9957 7.9957 8.0170 8.0170 8.4151 8.4151 8.4235 8.4235 13.1008 13.1008 13.1061 13.1061 14.7989 14.7989 14.8015 14.8015 15.2535 15.2535 15.2680 15.2680 k = 0.2917 0.5052 0.2562 ( 4956 PWs) bands (ev): -43.7827 -43.7827 -43.7827 -43.7827 -20.5419 -20.5419 -20.5394 -20.5394 -19.9060 -19.9060 -19.9031 -19.9031 -19.8765 -19.8765 -19.8764 -19.8764 -0.2235 -0.2235 -0.2163 -0.2163 7.0994 7.0994 7.1010 7.1010 8.0504 8.0504 8.0687 8.0687 8.4240 8.4240 8.4339 8.4339 13.0871 13.0871 13.0924 13.0924 14.7548 14.7548 14.7580 14.7580 15.2687 15.2687 15.2836 15.2836 k = 0.2865 0.4962 0.2562 ( 4954 PWs) bands (ev): -43.7828 -43.7828 -43.7828 -43.7828 -20.5415 -20.5415 -20.5390 -20.5390 -19.9063 -19.9063 -19.9035 -19.9035 -19.8751 -19.8751 -19.8750 -19.8750 -0.2363 -0.2363 -0.2292 -0.2292 7.0805 7.0805 7.0810 7.0810 8.1050 8.1050 8.1197 8.1197 8.4356 8.4356 8.4475 8.4475 13.0727 13.0727 13.0779 13.0779 14.7088 14.7088 14.7125 14.7125 15.2840 15.2840 15.2992 15.2992 k = 0.2812 0.4871 0.2562 ( 4968 PWs) bands (ev): -43.7830 -43.7830 -43.7830 -43.7830 -20.5410 -20.5410 -20.5386 -20.5386 -19.9065 -19.9065 -19.9039 -19.9039 -19.8736 -19.8736 -19.8734 -19.8734 -0.2508 -0.2508 -0.2439 -0.2439 7.0644 7.0644 7.0647 7.0647 8.1581 8.1581 8.1688 8.1688 8.4507 8.4507 8.4654 8.4654 13.0578 13.0578 13.0630 13.0630 14.6615 14.6615 14.6655 14.6655 15.2990 15.2990 15.3144 15.3144 k = 0.2760 0.4781 0.2562 ( 4956 PWs) bands (ev): -43.7832 -43.7832 -43.7832 -43.7832 -20.5405 -20.5405 -20.5381 -20.5381 -19.9066 -19.9066 -19.9041 -19.9041 -19.8721 -19.8721 -19.8719 -19.8719 -0.2669 -0.2669 -0.2602 -0.2602 7.0512 7.0512 7.0522 7.0522 8.2083 8.2083 8.2144 8.2144 8.4705 8.4705 8.4887 8.4887 13.0425 13.0425 13.0477 13.0477 14.6132 14.6132 14.6174 14.6174 15.3134 15.3134 15.3289 15.3289 k = 0.2708 0.4691 0.2562 ( 4956 PWs) bands (ev): -43.7834 -43.7834 -43.7834 -43.7834 -20.5399 -20.5399 -20.5376 -20.5376 -19.9066 -19.9066 -19.9043 -19.9043 -19.8706 -19.8706 -19.8702 -19.8702 -0.2847 -0.2847 -0.2782 -0.2782 7.0416 7.0416 7.0433 7.0433 8.2538 8.2538 8.2549 8.2549 8.4967 8.4967 8.5188 8.5188 13.0273 13.0273 13.0324 13.0324 14.5641 14.5641 14.5686 14.5686 15.3268 15.3268 15.3424 15.3424 k = 0.2656 0.4601 0.2562 ( 4972 PWs) bands (ev): -43.7836 -43.7836 -43.7836 -43.7836 -20.5392 -20.5392 -20.5370 -20.5370 -19.9065 -19.9065 -19.9044 -19.9044 -19.8691 -19.8691 -19.8686 -19.8686 -0.3041 -0.3041 -0.2978 -0.2978 7.0356 7.0356 7.0378 7.0378 8.2895 8.2895 8.2931 8.2931 8.5305 8.5305 8.5562 8.5562 13.0121 13.0121 13.0172 13.0172 14.5146 14.5146 14.5191 14.5191 15.3392 15.3392 15.3548 15.3548 k = 0.2604 0.4511 0.2562 ( 4972 PWs) bands (ev): -43.7839 -43.7839 -43.7839 -43.7839 -20.5385 -20.5385 -20.5363 -20.5363 -19.9063 -19.9063 -19.9043 -19.9043 -19.8675 -19.8675 -19.8669 -19.8669 -0.3252 -0.3252 -0.3191 -0.3191 7.0332 7.0332 7.0359 7.0359 8.3185 8.3185 8.3258 8.3258 8.5723 8.5723 8.6006 8.6006 12.9974 12.9974 13.0024 13.0024 14.4647 14.4647 14.4694 14.4694 15.3502 15.3502 15.3658 15.3658 k = 0.2552 0.4420 0.2562 ( 4972 PWs) bands (ev): -43.7842 -43.7842 -43.7842 -43.7842 -20.5377 -20.5377 -20.5355 -20.5355 -19.9060 -19.9060 -19.9041 -19.9041 -19.8659 -19.8659 -19.8653 -19.8653 -0.3478 -0.3478 -0.3419 -0.3419 7.0344 7.0344 7.0376 7.0376 8.3427 8.3427 8.3526 8.3526 8.6210 8.6210 8.6510 8.6510 12.9832 12.9832 12.9881 12.9881 14.4148 14.4148 14.4194 14.4194 15.3597 15.3597 15.3753 15.3753 k = 0.2500 0.4330 0.2562 ( 4972 PWs) bands (ev): -43.7845 -43.7845 -43.7845 -43.7845 -20.5368 -20.5368 -20.5347 -20.5347 -19.9056 -19.9056 -19.9039 -19.9039 -19.8642 -19.8642 -19.8636 -19.8636 -0.3719 -0.3719 -0.3662 -0.3662 7.0391 7.0391 7.0427 7.0427 8.3635 8.3635 8.3751 8.3751 8.6751 8.6751 8.7058 8.7058 12.9698 12.9698 12.9747 12.9747 14.3649 14.3649 14.3696 14.3696 15.3675 15.3675 15.3831 15.3831 k = 0.2448 0.4240 0.2562 ( 4972 PWs) bands (ev): -43.7848 -43.7848 -43.7848 -43.7848 -20.5358 -20.5358 -20.5339 -20.5339 -19.9051 -19.9051 -19.9035 -19.9035 -19.8626 -19.8626 -19.8618 -19.8618 -0.3975 -0.3975 -0.3921 -0.3921 7.0472 7.0472 7.0511 7.0511 8.3822 8.3822 8.3948 8.3948 8.7330 8.7330 8.7638 8.7638 12.9574 12.9574 12.9622 12.9622 14.3153 14.3153 14.3199 14.3199 15.3733 15.3733 15.3891 15.3891 k = 0.2396 0.4150 0.2562 ( 4968 PWs) bands (ev): -43.7851 -43.7851 -43.7851 -43.7851 -20.5348 -20.5348 -20.5329 -20.5329 -19.9044 -19.9044 -19.9030 -19.9030 -19.8609 -19.8609 -19.8601 -19.8601 -0.4244 -0.4244 -0.4193 -0.4193 7.0585 7.0585 7.0627 7.0627 8.3997 8.3997 8.4130 8.4130 8.7933 8.7933 8.8239 8.8239 12.9462 12.9462 12.9509 12.9509 14.2660 14.2660 14.2705 14.2705 15.3771 15.3771 15.3929 15.3929 k = 0.2344 0.4059 0.2562 ( 4976 PWs) bands (ev): -43.7855 -43.7855 -43.7855 -43.7855 -20.5338 -20.5338 -20.5319 -20.5319 -19.9037 -19.9037 -19.9024 -19.9024 -19.8591 -19.8591 -19.8584 -19.8584 -0.4527 -0.4527 -0.4478 -0.4478 7.0728 7.0728 7.0773 7.0773 8.4166 8.4166 8.4305 8.4305 8.8551 8.8551 8.8854 8.8854 12.9363 12.9363 12.9409 12.9409 14.2172 14.2172 14.2216 14.2216 15.3786 15.3786 15.3945 15.3945 k = 0.2292 0.3969 0.2562 ( 4972 PWs) bands (ev): -43.7858 -43.7858 -43.7858 -43.7858 -20.5326 -20.5326 -20.5309 -20.5309 -19.9029 -19.9029 -19.9017 -19.9017 -19.8574 -19.8574 -19.8566 -19.8566 -0.4822 -0.4822 -0.4775 -0.4775 7.0899 7.0899 7.0947 7.0947 8.4335 8.4335 8.4479 8.4479 8.9179 8.9179 8.9477 8.9477 12.9279 12.9279 12.9325 12.9325 14.1691 14.1691 14.1734 14.1734 15.3775 15.3775 15.3936 15.3936 k = 0.2240 0.3879 0.2562 ( 4960 PWs) bands (ev): -43.7862 -43.7862 -43.7862 -43.7862 -20.5314 -20.5314 -20.5298 -20.5298 -19.9021 -19.9021 -19.9010 -19.9010 -19.8556 -19.8556 -19.8548 -19.8548 -0.5128 -0.5128 -0.5084 -0.5084 7.1097 7.1097 7.1147 7.1147 8.4507 8.4507 8.4655 8.4655 8.9812 8.9812 9.0105 9.0105 12.9213 12.9213 12.9257 12.9257 14.1217 14.1217 14.1260 14.1260 15.3737 15.3737 15.3899 15.3899 k = 0.2188 0.3789 0.2562 ( 4964 PWs) bands (ev): -43.7866 -43.7866 -43.7866 -43.7866 -20.5302 -20.5302 -20.5286 -20.5286 -19.9011 -19.9011 -19.9001 -19.9001 -19.8538 -19.8538 -19.8530 -19.8530 -0.5445 -0.5445 -0.5403 -0.5403 7.1317 7.1317 7.1370 7.1370 8.4685 8.4685 8.4838 8.4838 9.0446 9.0446 9.0734 9.0734 12.9165 12.9165 12.9209 12.9209 14.0754 14.0754 14.0794 14.0794 15.3668 15.3668 15.3832 15.3832 k = 0.2135 0.3699 0.2562 ( 4958 PWs) bands (ev): -43.7871 -43.7871 -43.7871 -43.7871 -20.5289 -20.5289 -20.5274 -20.5274 -19.9001 -19.9001 -19.8992 -19.8992 -19.8520 -19.8520 -19.8511 -19.8511 -0.5772 -0.5772 -0.5732 -0.5732 7.1558 7.1558 7.1612 7.1612 8.4873 8.4873 8.5030 8.5030 9.1078 9.1078 9.1361 9.1361 12.9137 12.9137 12.9181 12.9181 14.0300 14.0300 14.0340 14.0340 15.3568 15.3568 15.3733 15.3733 k = 0.2083 0.3608 0.2562 ( 4960 PWs) bands (ev): -43.7875 -43.7875 -43.7875 -43.7875 -20.5275 -20.5275 -20.5261 -20.5261 -19.8989 -19.8989 -19.8981 -19.8981 -19.8502 -19.8502 -19.8493 -19.8493 -0.6106 -0.6106 -0.6069 -0.6069 7.1816 7.1816 7.1872 7.1872 8.5073 8.5073 8.5233 8.5233 9.1707 9.1707 9.1985 9.1985 12.9132 12.9132 12.9175 12.9175 13.9860 13.9860 13.9897 13.9897 15.3433 15.3433 15.3600 15.3600 k = 0.2031 0.3518 0.2562 ( 4956 PWs) bands (ev): -43.7880 -43.7880 -43.7880 -43.7880 -20.5261 -20.5261 -20.5248 -20.5248 -19.8978 -19.8978 -19.8971 -19.8971 -19.8483 -19.8483 -19.8474 -19.8474 -0.6449 -0.6449 -0.6414 -0.6414 7.2088 7.2088 7.2146 7.2146 8.5287 8.5287 8.5450 8.5450 9.2331 9.2331 9.2603 9.2603 12.9149 12.9149 12.9191 12.9191 13.9432 13.9432 13.9468 13.9468 15.3263 15.3263 15.3430 15.3430 k = 0.1979 0.3428 0.2562 ( 4956 PWs) bands (ev): -43.7884 -43.7884 -43.7884 -43.7884 -20.5247 -20.5247 -20.5234 -20.5234 -19.8965 -19.8965 -19.8959 -19.8959 -19.8463 -19.8463 -19.8455 -19.8455 -0.6797 -0.6797 -0.6765 -0.6765 7.2370 7.2370 7.2429 7.2429 8.5517 8.5517 8.5683 8.5683 9.2947 9.2947 9.3214 9.3214 12.9191 12.9191 12.9232 12.9232 13.9020 13.9020 13.9054 13.9054 15.3056 15.3056 15.3223 15.3223 k = 0.1927 0.3338 0.2562 ( 4948 PWs) bands (ev): -43.7889 -43.7889 -43.7889 -43.7889 -20.5232 -20.5232 -20.5220 -20.5220 -19.8953 -19.8953 -19.8947 -19.8947 -19.8444 -19.8444 -19.8435 -19.8435 -0.7151 -0.7151 -0.7121 -0.7121 7.2658 7.2658 7.2718 7.2718 8.5765 8.5765 8.5934 8.5934 9.3556 9.3556 9.3817 9.3817 12.9257 12.9257 12.9299 12.9299 13.8624 13.8624 13.8656 13.8656 15.2812 15.2812 15.2978 15.2978 k = 0.1875 0.3248 0.2562 ( 4952 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5217 -20.5217 -20.5206 -20.5206 -19.8939 -19.8939 -19.8935 -19.8935 -19.8424 -19.8424 -19.8415 -19.8415 -0.7509 -0.7509 -0.7481 -0.7481 7.2948 7.2948 7.3009 7.3009 8.6035 8.6035 8.6206 8.6206 9.4154 9.4154 9.4410 9.4410 12.9350 12.9350 12.9391 12.9391 13.8245 13.8245 13.8275 13.8275 15.2532 15.2532 15.2696 15.2696 k = 0.1823 0.3157 0.2562 ( 4952 PWs) bands (ev): -43.7899 -43.7899 -43.7899 -43.7899 -20.5202 -20.5202 -20.5191 -20.5191 -19.8926 -19.8926 -19.8922 -19.8922 -19.8403 -19.8403 -19.8395 -19.8395 -0.7871 -0.7871 -0.7844 -0.7844 7.3237 7.3237 7.3299 7.3299 8.6329 8.6329 8.6501 8.6501 9.4742 9.4742 9.4992 9.4992 12.9469 12.9469 12.9510 12.9510 13.7886 13.7886 13.7914 13.7914 15.2217 15.2217 15.2379 15.2379 k = 0.1771 0.3067 0.2562 ( 4948 PWs) bands (ev): -43.7904 -43.7904 -43.7904 -43.7904 -20.5186 -20.5186 -20.5176 -20.5176 -19.8912 -19.8912 -19.8909 -19.8909 -19.8382 -19.8382 -19.8374 -19.8374 -0.8234 -0.8234 -0.8210 -0.8210 7.3520 7.3520 7.3582 7.3582 8.6648 8.6648 8.6821 8.6821 9.5318 9.5318 9.5562 9.5562 12.9615 12.9615 12.9655 12.9655 13.7547 13.7547 13.7572 13.7572 15.1869 15.1869 15.2029 15.2029 k = 0.1719 0.2977 0.2562 ( 4952 PWs) bands (ev): -43.7909 -43.7909 -43.7909 -43.7909 -20.5170 -20.5170 -20.5161 -20.5161 -19.8898 -19.8898 -19.8895 -19.8895 -19.8361 -19.8361 -19.8353 -19.8353 -0.8599 -0.8599 -0.8577 -0.8577 7.3795 7.3795 7.3856 7.3856 8.6995 8.6995 8.7169 8.7169 9.5881 9.5881 9.6118 9.6118 12.9787 12.9787 12.9828 12.9828 13.7230 13.7230 13.7253 13.7253 15.1491 15.1491 15.1647 15.1647 k = 0.1667 0.2887 0.2562 ( 4948 PWs) bands (ev): -43.7915 -43.7915 -43.7915 -43.7915 -20.5155 -20.5155 -20.5146 -20.5146 -19.8884 -19.8884 -19.8882 -19.8882 -19.8339 -19.8339 -19.8331 -19.8331 -0.8964 -0.8964 -0.8943 -0.8943 7.4056 7.4056 7.4116 7.4116 8.7372 8.7372 8.7545 8.7545 9.6431 9.6431 9.6661 9.6661 12.9987 12.9987 13.0028 13.0028 13.6935 13.6935 13.6956 13.6956 15.1084 15.1084 15.1237 15.1237 k = 0.1615 0.2797 0.2562 ( 4936 PWs) bands (ev): -43.7920 -43.7920 -43.7920 -43.7920 -20.5139 -20.5139 -20.5131 -20.5131 -19.8870 -19.8870 -19.8868 -19.8868 -19.8317 -19.8317 -19.8310 -19.8310 -0.9328 -0.9328 -0.9309 -0.9309 7.4302 7.4302 7.4360 7.4360 8.7780 8.7780 8.7951 8.7951 9.6966 9.6966 9.7189 9.7189 13.0212 13.0212 13.0254 13.0254 13.6665 13.6665 13.6683 13.6683 15.0652 15.0652 15.0802 15.0802 k = 0.1562 0.2706 0.2562 ( 4932 PWs) bands (ev): -43.7925 -43.7925 -43.7925 -43.7925 -20.5123 -20.5123 -20.5115 -20.5115 -19.8856 -19.8856 -19.8855 -19.8855 -19.8294 -19.8294 -19.8287 -19.8287 -0.9690 -0.9690 -0.9673 -0.9673 7.4529 7.4529 7.4585 7.4585 8.8220 8.8220 8.8389 8.8389 9.7485 9.7485 9.7701 9.7701 13.0463 13.0463 13.0505 13.0505 13.6420 13.6420 13.6435 13.6435 15.0196 15.0196 15.0343 15.0343 k = 0.1510 0.2616 0.2562 ( 4924 PWs) bands (ev): -43.7931 -43.7931 -43.7931 -43.7931 -20.5107 -20.5107 -20.5100 -20.5100 -19.8843 -19.8843 -19.8842 -19.8842 -19.8271 -19.8271 -19.8264 -19.8264 -1.0049 -1.0049 -1.0034 -1.0034 7.4736 7.4736 7.4790 7.4790 8.8693 8.8693 8.8859 8.8859 9.7988 9.7988 9.8197 9.8197 13.0738 13.0738 13.0781 13.0781 13.6201 13.6201 13.6213 13.6213 14.9721 14.9721 14.9865 14.9865 k = 0.1458 0.2526 0.2562 ( 4924 PWs) bands (ev): -43.7936 -43.7936 -43.7936 -43.7936 -20.5091 -20.5091 -20.5085 -20.5085 -19.8829 -19.8829 -19.8828 -19.8828 -19.8247 -19.8247 -19.8241 -19.8241 -1.0405 -1.0405 -1.0391 -1.0391 7.4921 7.4921 7.4971 7.4971 8.9199 8.9199 8.9361 8.9361 9.8475 9.8475 9.8676 9.8676 13.1036 13.1036 13.1081 13.1081 13.6010 13.6010 13.6018 13.6018 14.9227 14.9227 14.9368 14.9368 k = 0.1406 0.2436 0.2562 ( 4928 PWs) bands (ev): -43.7941 -43.7941 -43.7941 -43.7941 -20.5075 -20.5075 -20.5070 -20.5070 -19.8816 -19.8816 -19.8815 -19.8815 -19.8223 -19.8223 -19.8218 -19.8218 -1.0756 -1.0756 -1.0743 -1.0743 7.5082 7.5082 7.5130 7.5130 8.9736 8.9736 8.9894 8.9894 9.8943 9.8943 9.9136 9.9136 13.1356 13.1356 13.1403 13.1403 13.5846 13.5846 13.5851 13.5851 14.8717 14.8717 14.8855 14.8855 k = 0.1354 0.2345 0.2562 ( 4932 PWs) bands (ev): -43.7947 -43.7947 -43.7947 -43.7947 -20.5060 -20.5060 -20.5055 -20.5055 -19.8803 -19.8803 -19.8803 -19.8803 -19.8199 -19.8199 -19.8194 -19.8194 -1.1101 -1.1101 -1.1090 -1.1090 7.5221 7.5221 7.5265 7.5265 9.0305 9.0305 9.0457 9.0457 9.9394 9.9394 9.9579 9.9579 13.1695 13.1695 13.1744 13.1744 13.5711 13.5711 13.5712 13.5712 14.8194 14.8194 14.8329 14.8329 k = 0.1302 0.2255 0.2562 ( 4930 PWs) bands (ev): -43.7952 -43.7952 -43.7952 -43.7952 -20.5045 -20.5045 -20.5041 -20.5041 -19.8791 -19.8791 -19.8791 -19.8791 -19.8175 -19.8175 -19.8170 -19.8170 -1.1441 -1.1441 -1.1430 -1.1430 7.5337 7.5337 7.5376 7.5376 9.0902 9.0902 9.1049 9.1049 9.9826 9.9826 10.0002 10.0002 13.2051 13.2051 13.2104 13.2104 13.5601 13.5601 13.5605 13.5605 14.7660 14.7660 14.7792 14.7792 k = 0.1250 0.2165 0.2562 ( 4934 PWs) bands (ev): -43.7957 -43.7957 -43.7957 -43.7957 -20.5030 -20.5030 -20.5026 -20.5026 -19.8779 -19.8779 -19.8779 -19.8779 -19.8150 -19.8150 -19.8145 -19.8145 -1.1773 -1.1773 -1.1764 -1.1764 7.5430 7.5430 7.5466 7.5466 9.1526 9.1526 9.1667 9.1667 10.0238 10.0238 10.0406 10.0406 13.2422 13.2422 13.2479 13.2479 13.5519 13.5519 13.5528 13.5528 14.7116 14.7116 14.7245 14.7245 k = 0.1198 0.2075 0.2562 ( 4930 PWs) bands (ev): -43.7962 -43.7962 -43.7962 -43.7962 -20.5016 -20.5016 -20.5012 -20.5012 -19.8767 -19.8767 -19.8767 -19.8767 -19.8125 -19.8125 -19.8121 -19.8121 -1.2097 -1.2097 -1.2089 -1.2089 7.5502 7.5502 7.5534 7.5534 9.2174 9.2174 9.2309 9.2309 10.0631 10.0631 10.0791 10.0791 13.2805 13.2805 13.2868 13.2868 13.5465 13.5465 13.5480 13.5480 14.6565 14.6565 14.6691 14.6691 k = 0.1146 0.1985 0.2562 ( 4926 PWs) bands (ev): -43.7967 -43.7967 -43.7967 -43.7967 -20.5002 -20.5002 -20.4998 -20.4998 -19.8756 -19.8756 -19.8756 -19.8756 -19.8100 -19.8100 -19.8096 -19.8096 -1.2413 -1.2413 -1.2406 -1.2406 7.5554 7.5554 7.5583 7.5583 9.2843 9.2843 9.2971 9.2971 10.1004 10.1004 10.1155 10.1155 13.3196 13.3196 13.3267 13.3267 13.5439 13.5439 13.5462 13.5462 14.6008 14.6008 14.6132 14.6132 k = 0.1094 0.1894 0.2562 ( 4924 PWs) bands (ev): -43.7972 -43.7972 -43.7972 -43.7972 -20.4988 -20.4988 -20.4985 -20.4985 -19.8746 -19.8746 -19.8746 -19.8746 -19.8075 -19.8075 -19.8072 -19.8072 -1.2719 -1.2719 -1.2713 -1.2713 7.5588 7.5588 7.5613 7.5613 9.3530 9.3530 9.3652 9.3652 10.1356 10.1356 10.1499 10.1499 13.3593 13.3593 13.3673 13.3673 13.5440 13.5440 13.5473 13.5473 14.5449 14.5449 14.5569 14.5569 k = 0.1042 0.1804 0.2562 ( 4928 PWs) bands (ev): -43.7977 -43.7977 -43.7977 -43.7977 -20.4975 -20.4975 -20.4972 -20.4972 -19.8736 -19.8736 -19.8736 -19.8736 -19.8050 -19.8050 -19.8047 -19.8047 -1.3016 -1.3016 -1.3011 -1.3011 7.5606 7.5606 7.5628 7.5628 9.4231 9.4231 9.4346 9.4346 10.1688 10.1688 10.1822 10.1822 13.3989 13.3989 13.4082 13.4082 13.5468 13.5468 13.5513 13.5513 14.4889 14.4889 14.5006 14.5006 k = 0.0990 0.1714 0.2562 ( 4928 PWs) bands (ev): -43.7982 -43.7982 -43.7982 -43.7982 -20.4962 -20.4962 -20.4960 -20.4960 -19.8726 -19.8726 -19.8726 -19.8726 -19.8026 -19.8026 -19.8023 -19.8023 -1.3302 -1.3302 -1.3297 -1.3297 7.5609 7.5609 7.5628 7.5628 9.4943 9.4943 9.5052 9.5052 10.2000 10.2000 10.2126 10.2126 13.4377 13.4377 13.4489 13.4489 13.5523 13.5523 13.5585 13.5585 14.4331 14.4331 14.4445 14.4445 k = 0.0938 0.1624 0.2562 ( 4928 PWs) bands (ev): -43.7987 -43.7987 -43.7987 -43.7987 -20.4950 -20.4950 -20.4948 -20.4948 -19.8717 -19.8717 -19.8717 -19.8717 -19.8002 -19.8002 -19.7999 -19.7999 -1.3577 -1.3577 -1.3573 -1.3573 7.5599 7.5599 7.5615 7.5615 9.5662 9.5662 9.5764 9.5764 10.2291 10.2291 10.2408 10.2408 13.4748 13.4748 13.4885 13.4885 13.5607 13.5607 13.5694 13.5694 14.3778 14.3778 14.3890 14.3890 k = 0.0885 0.1534 0.2562 ( 4924 PWs) bands (ev): -43.7991 -43.7991 -43.7991 -43.7991 -20.4938 -20.4938 -20.4937 -20.4937 -19.8709 -19.8709 -19.8709 -19.8709 -19.7978 -19.7978 -19.7976 -19.7976 -1.3840 -1.3840 -1.3836 -1.3836 7.5578 7.5578 7.5592 7.5592 9.6384 9.6384 9.6479 9.6479 10.2562 10.2562 10.2671 10.2671 13.5083 13.5083 13.5248 13.5248 13.5736 13.5736 13.5850 13.5850 14.3234 14.3234 14.3342 14.3342 k = 0.0833 0.1443 0.2562 ( 4928 PWs) bands (ev): -43.7995 -43.7995 -43.7995 -43.7995 -20.4927 -20.4927 -20.4926 -20.4926 -19.8701 -19.8701 -19.8701 -19.8701 -19.7955 -19.7955 -19.7953 -19.7953 -1.4091 -1.4091 -1.4088 -1.4088 7.5549 7.5549 7.5560 7.5560 9.7104 9.7104 9.7193 9.7193 10.2813 10.2813 10.2914 10.2914 13.5359 13.5359 13.5529 13.5529 13.5952 13.5952 13.6069 13.6069 14.2702 14.2702 14.2808 14.2808 k = 0.0781 0.1353 0.2562 ( 4924 PWs) bands (ev): -43.7999 -43.7999 -43.7999 -43.7999 -20.4917 -20.4917 -20.4916 -20.4916 -19.8694 -19.8694 -19.8694 -19.8694 -19.7933 -19.7933 -19.7931 -19.7931 -1.4329 -1.4329 -1.4327 -1.4327 7.5512 7.5512 7.5521 7.5521 9.7819 9.7819 9.7902 9.7902 10.3045 10.3045 10.3138 10.3138 13.5570 13.5570 13.5707 13.5707 13.6267 13.6267 13.6350 13.6350 14.2189 14.2189 14.2292 14.2292 k = 0.0729 0.1263 0.2562 ( 4930 PWs) bands (ev): -43.8003 -43.8003 -43.8003 -43.8003 -20.4907 -20.4907 -20.4906 -20.4906 -19.8687 -19.8687 -19.8687 -19.8687 -19.7911 -19.7911 -19.7910 -19.7910 -1.4554 -1.4554 -1.4552 -1.4552 7.5469 7.5469 7.5477 7.5477 9.8524 9.8524 9.8601 9.8601 10.3257 10.3257 10.3343 10.3343 13.5729 13.5729 13.5833 13.5833 13.6621 13.6621 13.6668 13.6668 14.1701 14.1701 14.1800 14.1800 k = 0.0677 0.1173 0.2562 ( 4926 PWs) bands (ev): -43.8007 -43.8007 -43.8007 -43.8007 -20.4898 -20.4898 -20.4897 -20.4897 -19.8681 -19.8681 -19.8681 -19.8681 -19.7890 -19.7890 -19.7889 -19.7889 -1.4765 -1.4765 -1.4764 -1.4764 7.5422 7.5422 7.5429 7.5429 9.9214 9.9214 9.9285 9.9285 10.3451 10.3451 10.3529 10.3529 13.5853 13.5853 13.5932 13.5932 13.6978 13.6978 13.6998 13.6998 14.1244 14.1244 14.1339 14.1339 k = 0.0625 0.1083 0.2562 ( 4926 PWs) bands (ev): -43.8010 -43.8010 -43.8010 -43.8010 -20.4889 -20.4889 -20.4889 -20.4889 -19.8675 -19.8675 -19.8675 -19.8675 -19.7871 -19.7871 -19.7870 -19.7870 -1.4962 -1.4962 -1.4961 -1.4961 7.5373 7.5373 7.5378 7.5378 9.9885 9.9885 9.9950 9.9950 10.3628 10.3628 10.3699 10.3699 13.5945 13.5945 13.6007 13.6007 13.7323 13.7323 13.7326 13.7326 14.0828 14.0828 14.0918 14.0918 k = 0.0573 0.0992 0.2562 ( 4926 PWs) bands (ev): -43.8014 -43.8014 -43.8014 -43.8014 -20.4881 -20.4881 -20.4881 -20.4881 -19.8670 -19.8670 -19.8669 -19.8669 -19.7852 -19.7852 -19.7852 -19.7852 -1.5145 -1.5145 -1.5144 -1.5144 7.5323 7.5323 7.5327 7.5327 10.0531 10.0531 10.0590 10.0590 10.3787 10.3787 10.3851 10.3851 13.6001 13.6001 13.6050 13.6050 13.7642 13.7642 13.7653 13.7653 14.0462 14.0462 14.0547 14.0547 k = 0.0521 0.0902 0.2562 ( 4930 PWs) bands (ev): -43.8016 -43.8016 -43.8016 -43.8016 -20.4874 -20.4874 -20.4874 -20.4874 -19.8665 -19.8665 -19.8665 -19.8665 -19.7835 -19.7835 -19.7835 -19.7835 -1.5313 -1.5313 -1.5313 -1.5313 7.5273 7.5273 7.5276 7.5276 10.1147 10.1147 10.1201 10.1201 10.3930 10.3930 10.3988 10.3988 13.6015 13.6015 13.6054 13.6054 13.7942 13.7942 13.7962 13.7962 14.0155 14.0155 14.0235 14.0235 k = 0.0469 0.0812 0.2562 ( 4930 PWs) bands (ev): -43.8019 -43.8019 -43.8019 -43.8019 -20.4867 -20.4867 -20.4867 -20.4867 -19.8660 -19.8660 -19.8660 -19.8660 -19.7819 -19.7819 -19.7819 -19.7819 -1.5466 -1.5466 -1.5466 -1.5466 7.5224 7.5224 7.5226 7.5226 10.1728 10.1728 10.1775 10.1775 10.4059 10.4059 10.4109 10.4109 13.5985 13.5985 13.6014 13.6014 13.8222 13.8222 13.8250 13.8250 13.9913 13.9913 13.9986 13.9986 k = 0.0417 0.0722 0.2562 ( 4930 PWs) bands (ev): -43.8022 -43.8022 -43.8022 -43.8022 -20.4861 -20.4861 -20.4861 -20.4861 -19.8657 -19.8657 -19.8656 -19.8656 -19.7805 -19.7805 -19.7804 -19.7804 -1.5604 -1.5604 -1.5604 -1.5604 7.5178 7.5178 7.5179 7.5179 10.2266 10.2266 10.2308 10.2308 10.4173 10.4173 10.4217 10.4217 13.5909 13.5909 13.5930 13.5930 13.8481 13.8481 13.8512 13.8512 13.9738 13.9738 13.9803 13.9803 k = 0.0365 0.0631 0.2562 ( 4930 PWs) bands (ev): -43.8024 -43.8024 -43.8024 -43.8024 -20.4856 -20.4856 -20.4856 -20.4856 -19.8653 -19.8653 -19.8653 -19.8653 -19.7792 -19.7792 -19.7792 -19.7792 -1.5726 -1.5726 -1.5726 -1.5726 7.5135 7.5135 7.5135 7.5135 10.2757 10.2757 10.2793 10.2793 10.4275 10.4275 10.4312 10.4312 13.5795 13.5795 13.5809 13.5809 13.8715 13.8715 13.8749 13.8749 13.9622 13.9622 13.9680 13.9680 k = 0.0312 0.0541 0.2562 ( 4934 PWs) bands (ev): -43.8026 -43.8026 -43.8026 -43.8026 -20.4852 -20.4852 -20.4852 -20.4852 -19.8650 -19.8650 -19.8650 -19.8650 -19.7780 -19.7780 -19.7780 -19.7780 -1.5832 -1.5832 -1.5832 -1.5832 7.5095 7.5095 7.5096 7.5096 10.3194 10.3194 10.3223 10.3223 10.4366 10.4366 10.4397 10.4397 13.5656 13.5656 13.5665 13.5665 13.8924 13.8924 13.8957 13.8957 13.9557 13.9557 13.9605 13.9605 k = 0.0260 0.0451 0.2562 ( 4938 PWs) bands (ev): -43.8027 -43.8027 -43.8027 -43.8027 -20.4848 -20.4848 -20.4848 -20.4848 -19.8648 -19.8648 -19.8648 -19.8648 -19.7771 -19.7771 -19.7771 -19.7771 -1.5922 -1.5922 -1.5922 -1.5922 7.5061 7.5061 7.5061 7.5061 10.3568 10.3568 10.3591 10.3591 10.4450 10.4450 10.4474 10.4474 13.5507 13.5507 13.5512 13.5512 13.9104 13.9104 13.9135 13.9135 13.9527 13.9527 13.9567 13.9567 k = 0.0208 0.0361 0.2562 ( 4938 PWs) bands (ev): -43.8029 -43.8029 -43.8029 -43.8029 -20.4845 -20.4845 -20.4845 -20.4845 -19.8646 -19.8646 -19.8646 -19.8646 -19.7763 -19.7763 -19.7763 -19.7763 -1.5997 -1.5997 -1.5996 -1.5996 7.5032 7.5032 7.5032 7.5032 10.3872 10.3872 10.3888 10.3888 10.4529 10.4529 10.4546 10.4546 13.5363 13.5363 13.5366 13.5366 13.9255 13.9255 13.9282 13.9282 13.9521 13.9521 13.9553 13.9553 k = 0.0156 0.0271 0.2562 ( 4944 PWs) bands (ev): -43.8030 -43.8030 -43.8030 -43.8030 -20.4842 -20.4842 -20.4842 -20.4842 -19.8644 -19.8644 -19.8644 -19.8644 -19.7756 -19.7756 -19.7756 -19.7756 -1.6054 -1.6054 -1.6054 -1.6054 7.5009 7.5009 7.5009 7.5009 10.4097 10.4097 10.4106 10.4106 10.4609 10.4609 10.4618 10.4618 13.5237 13.5237 13.5238 13.5238 13.9375 13.9375 13.9395 13.9395 13.9530 13.9530 13.9552 13.9552 k = 0.0104 0.0180 0.2562 ( 4936 PWs) bands (ev): -43.8030 -43.8030 -43.8030 -43.8030 -20.4840 -20.4840 -20.4840 -20.4840 -19.8643 -19.8643 -19.8643 -19.8643 -19.7752 -19.7752 -19.7752 -19.7752 -1.6096 -1.6096 -1.6096 -1.6096 7.4993 7.4993 7.4993 7.4993 10.4242 10.4242 10.4245 10.4245 10.4686 10.4686 10.4689 10.4689 13.5140 13.5140 13.5141 13.5141 13.9460 13.9460 13.9470 13.9470 13.9547 13.9547 13.9558 13.9558 k = 0.0052 0.0090 0.2562 ( 4936 PWs) bands (ev): -43.8031 -43.8031 -43.8031 -43.8031 -20.4839 -20.4839 -20.4839 -20.4839 -19.8642 -19.8642 -19.8642 -19.8642 -19.7749 -19.7749 -19.7749 -19.7749 -1.6120 -1.6120 -1.6120 -1.6120 7.4982 7.4982 7.4982 7.4982 10.4317 10.4317 10.4317 10.4317 10.4744 10.4744 10.4744 10.4744 13.5079 13.5079 13.5080 13.5080 13.9506 13.9506 13.9508 13.9508 13.9567 13.9567 13.9569 13.9569 k = 0.0000 0.0000 0.2562 ( 4942 PWs) bands (ev): -43.8031 -43.8031 -43.8031 -43.8031 -20.4839 -20.4839 -20.4839 -20.4839 -19.8642 -19.8642 -19.8642 -19.8642 -19.7748 -19.7748 -19.7748 -19.7748 -1.6129 -1.6129 -1.6129 -1.6129 7.4979 7.4979 7.4979 7.4979 10.4339 10.4339 10.4339 10.4339 10.4765 10.4765 10.4765 10.4765 13.5059 13.5059 13.5059 13.5059 13.9519 13.9519 13.9519 13.9519 13.9576 13.9576 13.9576 13.9576 k = 0.5000 0.2887 0.2562 ( 4952 PWs) bands (ev): -43.7845 -43.7845 -43.7845 -43.7845 -20.5391 -20.5391 -20.5391 -20.5391 -19.9226 -19.9226 -19.9226 -19.9226 -19.8421 -19.8421 -19.8421 -19.8421 -0.3526 -0.3526 -0.3526 -0.3526 6.4398 6.4398 6.4398 6.4398 8.4761 8.4761 8.4761 8.4761 9.6933 9.6933 9.6933 9.6933 12.3118 12.3118 12.3118 12.3118 15.3316 15.3316 15.3316 15.3316 15.3885 15.3885 15.3885 15.3885 k = 0.5000 0.2887 0.2460 ( 4956 PWs) bands (ev): -43.7849 -43.7849 -43.7841 -43.7841 -20.5401 -20.5401 -20.5381 -20.5381 -19.9239 -19.9239 -19.9213 -19.9213 -19.8431 -19.8431 -19.8409 -19.8409 -0.3637 -0.3637 -0.3415 -0.3415 6.4038 6.4038 6.4768 6.4768 8.4616 8.4616 8.4896 8.4896 9.6551 9.6551 9.7321 9.7321 12.2695 12.2695 12.3528 12.3528 15.3206 15.3206 15.3439 15.3439 15.3854 15.3854 15.3909 15.3909 k = 0.5000 0.2887 0.2357 ( 4952 PWs) bands (ev): -43.7853 -43.7853 -43.7836 -43.7836 -20.5411 -20.5411 -20.5372 -20.5372 -19.9254 -19.9254 -19.9202 -19.9202 -19.8440 -19.8440 -19.8397 -19.8397 -0.3748 -0.3748 -0.3304 -0.3304 6.3690 6.3690 6.5148 6.5148 8.4459 8.4459 8.5021 8.5021 9.6179 9.6179 9.7717 9.7717 12.2262 12.2262 12.3921 12.3921 15.3117 15.3117 15.3562 15.3562 15.3830 15.3830 15.3906 15.3906 k = 0.5000 0.2887 0.2255 ( 4960 PWs) bands (ev): -43.7857 -43.7857 -43.7832 -43.7832 -20.5421 -20.5421 -20.5363 -20.5363 -19.9268 -19.9268 -19.9191 -19.9191 -19.8449 -19.8449 -19.8383 -19.8383 -0.3857 -0.3857 -0.3195 -0.3195 6.3352 6.3352 6.5538 6.5538 8.4290 8.4290 8.5136 8.5136 9.5816 9.5816 9.8117 9.8117 12.1822 12.1822 12.4296 12.4296 15.3054 15.3054 15.3625 15.3625 15.3718 15.3718 15.3880 15.3880 k = 0.5000 0.2887 0.2152 ( 4970 PWs) bands (ev): -43.7861 -43.7861 -43.7828 -43.7828 -20.5432 -20.5432 -20.5354 -20.5354 -19.9284 -19.9284 -19.9181 -19.9181 -19.8456 -19.8456 -19.8369 -19.8369 -0.3966 -0.3966 -0.3086 -0.3086 6.3027 6.3027 6.5937 6.5937 8.4108 8.4108 8.5243 8.5243 9.5463 9.5463 9.8522 9.8522 12.1379 12.1379 12.4650 12.4650 15.2991 15.2991 15.3088 15.3088 15.3658 15.3658 15.3982 15.3982 k = 0.5000 0.2887 0.2050 ( 4970 PWs) bands (ev): -43.7865 -43.7865 -43.7825 -43.7825 -20.5442 -20.5442 -20.5345 -20.5345 -19.9299 -19.9299 -19.9172 -19.9172 -19.8462 -19.8462 -19.8353 -19.8353 -0.4072 -0.4072 -0.2979 -0.2979 6.2714 6.2714 6.6344 6.6344 8.3913 8.3913 8.5342 8.5342 9.5122 9.5122 9.8929 9.8929 12.0934 12.0934 12.4981 12.4981 15.2229 15.2229 15.3034 15.3034 15.3629 15.3629 15.4122 15.4122 k = 0.5000 0.2887 0.1947 ( 4968 PWs) bands (ev): -43.7869 -43.7869 -43.7821 -43.7821 -20.5453 -20.5453 -20.5337 -20.5337 -19.9315 -19.9315 -19.9164 -19.9164 -19.8468 -19.8468 -19.8338 -19.8338 -0.4176 -0.4176 -0.2875 -0.2875 6.2413 6.2413 6.6760 6.6760 8.3705 8.3705 8.5434 8.5434 9.4794 9.4794 9.9337 9.9337 12.0492 12.0492 12.5287 12.5287 15.1393 15.1393 15.3074 15.3074 15.3592 15.3592 15.4237 15.4237 k = 0.5000 0.2887 0.1845 ( 4968 PWs) bands (ev): -43.7872 -43.7872 -43.7817 -43.7817 -20.5463 -20.5463 -20.5329 -20.5329 -19.9331 -19.9331 -19.9157 -19.9157 -19.8472 -19.8472 -19.8321 -19.8321 -0.4278 -0.4278 -0.2773 -0.2773 6.2125 6.2125 6.7183 6.7183 8.3482 8.3482 8.5519 8.5519 9.4478 9.4478 9.9744 9.9744 12.0055 12.0055 12.5567 12.5567 15.0568 15.0568 15.3153 15.3153 15.3553 15.3553 15.4285 15.4285 k = 0.5000 0.2887 0.1742 ( 4958 PWs) bands (ev): -43.7876 -43.7876 -43.7813 -43.7813 -20.5473 -20.5473 -20.5322 -20.5322 -19.9347 -19.9347 -19.9151 -19.9151 -19.8476 -19.8476 -19.8304 -19.8304 -0.4377 -0.4377 -0.2674 -0.2674 6.1850 6.1850 6.7612 6.7612 8.3245 8.3245 8.5598 8.5598 9.4176 9.4176 10.0148 10.0148 11.9626 11.9626 12.5820 12.5820 14.9763 14.9763 15.3269 15.3269 15.3517 15.3517 15.4325 15.4325 k = 0.5000 0.2887 0.1640 ( 4946 PWs) bands (ev): -43.7879 -43.7879 -43.7810 -43.7810 -20.5483 -20.5483 -20.5315 -20.5315 -19.9363 -19.9363 -19.9146 -19.9146 -19.8479 -19.8479 -19.8287 -19.8287 -0.4472 -0.4472 -0.2578 -0.2578 6.1589 6.1589 6.8048 6.8048 8.2993 8.2993 8.5672 8.5672 9.3888 9.3888 10.0548 10.0548 11.9207 11.9207 12.6047 12.6047 14.8982 14.8982 15.3403 15.3403 15.3501 15.3501 15.4365 15.4365 k = 0.5000 0.2887 0.1537 ( 4954 PWs) bands (ev): -43.7883 -43.7883 -43.7806 -43.7806 -20.5493 -20.5493 -20.5308 -20.5308 -19.9378 -19.9378 -19.9141 -19.9141 -19.8481 -19.8481 -19.8270 -19.8270 -0.4564 -0.4564 -0.2486 -0.2486 6.1342 6.1342 6.8488 6.8488 8.2728 8.2728 8.5740 8.5740 9.3615 9.3615 10.0942 10.0942 11.8802 11.8802 12.6247 12.6247 14.8230 14.8230 15.3420 15.3420 15.3639 15.3639 15.4404 15.4404 k = 0.5000 0.2887 0.1435 ( 4944 PWs) bands (ev): -43.7886 -43.7886 -43.7803 -43.7803 -20.5502 -20.5502 -20.5302 -20.5302 -19.9393 -19.9393 -19.9137 -19.9137 -19.8483 -19.8483 -19.8253 -19.8253 -0.4652 -0.4652 -0.2398 -0.2398 6.1109 6.1109 6.8933 6.8933 8.2449 8.2449 8.5803 8.5803 9.3357 9.3357 10.1327 10.1327 11.8411 11.8411 12.6423 12.6423 14.7509 14.7509 15.3388 15.3388 15.3859 15.3859 15.4442 15.4442 k = 0.5000 0.2887 0.1332 ( 4944 PWs) bands (ev): -43.7889 -43.7889 -43.7800 -43.7800 -20.5512 -20.5512 -20.5296 -20.5296 -19.9408 -19.9408 -19.9134 -19.9134 -19.8484 -19.8484 -19.8236 -19.8236 -0.4735 -0.4735 -0.2314 -0.2314 6.0891 6.0891 6.9380 6.9380 8.2156 8.2156 8.5862 8.5862 9.3115 9.3115 10.1701 10.1701 11.8038 11.8038 12.6575 12.6575 14.6821 14.6821 15.3355 15.3355 15.4109 15.4109 15.4480 15.4480 k = 0.5000 0.2887 0.1230 ( 4946 PWs) bands (ev): -43.7892 -43.7892 -43.7797 -43.7797 -20.5520 -20.5520 -20.5291 -20.5291 -19.9422 -19.9422 -19.9131 -19.9131 -19.8485 -19.8485 -19.8220 -19.8220 -0.4813 -0.4813 -0.2236 -0.2236 6.0688 6.0688 6.9829 6.9829 8.1851 8.1851 8.5916 8.5916 9.2889 9.2889 10.2061 10.2061 11.7684 11.7684 12.6705 12.6705 14.6169 14.6169 15.3322 15.3322 15.4376 15.4376 15.4524 15.4524 k = 0.5000 0.2887 0.1127 ( 4950 PWs) bands (ev): -43.7895 -43.7895 -43.7794 -43.7794 -20.5529 -20.5529 -20.5286 -20.5286 -19.9435 -19.9435 -19.9129 -19.9129 -19.8486 -19.8486 -19.8205 -19.8205 -0.4886 -0.4886 -0.2162 -0.2162 6.0499 6.0499 7.0278 7.0278 8.1536 8.1536 8.5966 8.5966 9.2680 9.2680 10.2406 10.2406 11.7352 11.7352 12.6816 12.6816 14.5557 14.5557 15.3291 15.3291 15.4527 15.4527 15.4698 15.4698 k = 0.5000 0.2887 0.1025 ( 4948 PWs) bands (ev): -43.7897 -43.7897 -43.7792 -43.7792 -20.5536 -20.5536 -20.5281 -20.5281 -19.9447 -19.9447 -19.9127 -19.9127 -19.8486 -19.8486 -19.8190 -19.8190 -0.4954 -0.4954 -0.2094 -0.2094 6.0326 6.0326 7.0725 7.0725 8.1211 8.1211 8.6011 8.6011 9.2488 9.2488 10.2733 10.2733 11.7042 11.7042 12.6908 12.6908 14.4985 14.4985 15.3262 15.3262 15.4566 15.4566 15.4991 15.4991 k = 0.5000 0.2887 0.0922 ( 4946 PWs) bands (ev): -43.7900 -43.7900 -43.7790 -43.7790 -20.5544 -20.5544 -20.5277 -20.5277 -19.9458 -19.9458 -19.9126 -19.9126 -19.8486 -19.8486 -19.8176 -19.8176 -0.5016 -0.5016 -0.2031 -0.2031 6.0169 6.0169 7.1166 7.1166 8.0879 8.0879 8.6053 8.6053 9.2313 9.2313 10.3039 10.3039 11.6758 11.6758 12.6984 12.6984 14.4458 14.4458 15.3236 15.3236 15.4595 15.4595 15.5280 15.5280 k = 0.5000 0.2887 0.0820 ( 4934 PWs) bands (ev): -43.7902 -43.7902 -43.7788 -43.7788 -20.5550 -20.5550 -20.5274 -20.5274 -19.9468 -19.9468 -19.9125 -19.9125 -19.8486 -19.8486 -19.8163 -19.8163 -0.5072 -0.5072 -0.1975 -0.1975 6.0028 6.0028 7.1601 7.1601 8.0544 8.0544 8.6090 8.6090 9.2156 9.2156 10.3322 10.3322 11.6499 11.6499 12.7047 12.7047 14.3977 14.3977 15.3212 15.3212 15.4621 15.4621 15.5393 15.5393 k = 0.5000 0.2887 0.0717 ( 4934 PWs) bands (ev): -43.7903 -43.7903 -43.7786 -43.7786 -20.5556 -20.5556 -20.5270 -20.5270 -19.9478 -19.9478 -19.9124 -19.9124 -19.8486 -19.8486 -19.8152 -19.8152 -0.5123 -0.5123 -0.1924 -0.1924 5.9903 5.9903 7.2023 7.2023 8.0208 8.0208 8.6124 8.6124 9.2017 9.2017 10.3579 10.3579 11.6267 11.6267 12.7097 12.7097 14.3545 14.3545 15.3190 15.3190 15.4644 15.4644 15.5438 15.5438 k = 0.5000 0.2887 0.0615 ( 4946 PWs) bands (ev): -43.7905 -43.7905 -43.7784 -43.7784 -20.5561 -20.5561 -20.5268 -20.5268 -19.9486 -19.9486 -19.9123 -19.9123 -19.8486 -19.8486 -19.8141 -19.8141 -0.5167 -0.5167 -0.1880 -0.1880 5.9794 5.9794 7.2427 7.2427 7.9879 7.9879 8.6153 8.6153 9.1896 9.1896 10.3807 10.3807 11.6065 11.6065 12.7137 12.7137 14.3165 14.3165 15.3171 15.3171 15.4664 15.4664 15.5472 15.5472 k = 0.5000 0.2887 0.0512 ( 4948 PWs) bands (ev): -43.7906 -43.7906 -43.7783 -43.7783 -20.5566 -20.5566 -20.5265 -20.5265 -19.9493 -19.9493 -19.9123 -19.9123 -19.8486 -19.8486 -19.8132 -19.8132 -0.5204 -0.5204 -0.1842 -0.1842 5.9701 5.9701 7.2807 7.2807 7.9563 7.9563 8.6177 8.6177 9.1793 9.1793 10.4004 10.4004 11.5891 11.5891 12.7168 12.7168 14.2839 14.2839 15.3155 15.3155 15.4681 15.4681 15.5500 15.5500 k = 0.5000 0.2887 0.0410 ( 4948 PWs) bands (ev): -43.7908 -43.7908 -43.7782 -43.7782 -20.5569 -20.5569 -20.5264 -20.5264 -19.9498 -19.9498 -19.9123 -19.9123 -19.8486 -19.8486 -19.8125 -19.8125 -0.5235 -0.5235 -0.1811 -0.1811 5.9625 5.9625 7.3152 7.3152 7.9270 7.9270 8.6198 8.6198 9.1709 9.1709 10.4169 10.4169 11.5748 11.5748 12.7192 12.7192 14.2569 14.2569 15.3142 15.3142 15.4695 15.4695 15.5521 15.5521 k = 0.5000 0.2887 0.0307 ( 4952 PWs) bands (ev): -43.7909 -43.7909 -43.7781 -43.7781 -20.5572 -20.5572 -20.5262 -20.5262 -19.9503 -19.9503 -19.9122 -19.9122 -19.8486 -19.8486 -19.8119 -19.8119 -0.5259 -0.5259 -0.1787 -0.1787 5.9566 5.9566 7.3449 7.3449 7.9013 7.9013 8.6214 8.6214 9.1643 9.1643 10.4300 10.4300 11.5636 11.5636 12.7210 12.7210 14.2358 14.2358 15.3132 15.3132 15.4706 15.4706 15.5537 15.5537 k = 0.5000 0.2887 0.0205 ( 4958 PWs) bands (ev): -43.7909 -43.7909 -43.7780 -43.7780 -20.5574 -20.5574 -20.5261 -20.5261 -19.9506 -19.9506 -19.9122 -19.9122 -19.8485 -19.8485 -19.8115 -19.8115 -0.5276 -0.5276 -0.1769 -0.1769 5.9524 5.9524 7.3682 7.3682 7.8809 7.8809 8.6225 8.6225 9.1596 9.1596 10.4394 10.4394 11.5556 11.5556 12.7221 12.7221 14.2205 14.2205 15.3124 15.3124 15.4714 15.4714 15.5548 15.5548 k = 0.5000 0.2887 0.0102 ( 4950 PWs) bands (ev): -43.7910 -43.7910 -43.7780 -43.7780 -20.5576 -20.5576 -20.5260 -20.5260 -19.9508 -19.9508 -19.9122 -19.9122 -19.8485 -19.8485 -19.8113 -19.8113 -0.5287 -0.5287 -0.1759 -0.1759 5.9499 5.9499 7.3831 7.3831 7.8677 7.8677 8.6232 8.6232 9.1568 9.1568 10.4451 10.4451 11.5507 11.5507 12.7228 12.7228 14.2113 14.2113 15.3120 15.3120 15.4718 15.4718 15.5554 15.5554 k = 0.5000 0.2887-0.0000 ( 4952 PWs) bands (ev): -43.7910 -43.7910 -43.7780 -43.7780 -20.5576 -20.5576 -20.5260 -20.5260 -19.9509 -19.9509 -19.9122 -19.9122 -19.8485 -19.8485 -19.8112 -19.8112 -0.5290 -0.5290 -0.1755 -0.1755 5.9490 5.9490 7.3883 7.3883 7.8630 7.8630 8.6234 8.6234 9.1558 9.1558 10.4470 10.4470 11.5491 11.5491 12.7230 12.7230 14.2082 14.2082 15.3118 15.3118 15.4720 15.4720 15.5556 15.5556 k = 0.3333 0.5774-0.0000 ( 4959 PWs) bands (ev): -43.7886 -43.7886 -43.7757 -43.7757 -20.5594 -20.5594 -20.5295 -20.5295 -19.9308 -19.9308 -19.9152 -19.9152 -19.8871 -19.8871 -19.8308 -19.8308 -0.1794 -0.1794 -0.1716 -0.1716 6.9843 6.9843 7.2907 7.2907 7.3128 7.3128 8.3325 8.3325 8.3478 8.3478 8.6915 8.6915 13.5567 13.5567 13.5690 13.5690 14.2469 14.2469 14.2824 14.2824 14.5162 14.5162 15.5234 15.5234 k = 0.3333 0.5774 0.0102 ( 4965 PWs) bands (ev): -43.7886 -43.7886 -43.7757 -43.7757 -20.5594 -20.5594 -20.5295 -20.5295 -19.9307 -19.9307 -19.9152 -19.9152 -19.8872 -19.8872 -19.8309 -19.8309 -0.1794 -0.1794 -0.1716 -0.1716 6.9857 6.9857 7.2906 7.2906 7.3127 7.3127 8.3327 8.3327 8.3480 8.3480 8.6894 8.6894 13.5541 13.5541 13.5662 13.5662 14.2505 14.2505 14.2858 14.2858 14.5170 14.5170 15.5222 15.5222 k = 0.3333 0.5774 0.0205 ( 4971 PWs) bands (ev): -43.7885 -43.7885 -43.7757 -43.7757 -20.5592 -20.5592 -20.5296 -20.5296 -19.9304 -19.9304 -19.9151 -19.9151 -19.8872 -19.8872 -19.8312 -19.8312 -0.1794 -0.1794 -0.1716 -0.1716 6.9899 6.9899 7.2902 7.2902 7.3123 7.3123 8.3334 8.3334 8.3486 8.3486 8.6831 8.6831 13.5465 13.5465 13.5582 13.5582 14.2611 14.2611 14.2960 14.2960 14.5195 14.5195 15.5186 15.5186 k = 0.3333 0.5774 0.0307 ( 4956 PWs) bands (ev): -43.7885 -43.7885 -43.7758 -43.7758 -20.5590 -20.5590 -20.5297 -20.5297 -19.9300 -19.9300 -19.9149 -19.9149 -19.8874 -19.8874 -19.8318 -19.8318 -0.1793 -0.1793 -0.1716 -0.1716 6.9969 6.9969 7.2897 7.2897 7.3116 7.3116 8.3346 8.3346 8.3495 8.3495 8.6726 8.6726 13.5343 13.5343 13.5454 13.5454 14.2782 14.2782 14.3123 14.3123 14.5237 14.5237 15.5125 15.5125 k = 0.3333 0.5774 0.0410 ( 4956 PWs) bands (ev): -43.7884 -43.7884 -43.7759 -43.7759 -20.5588 -20.5588 -20.5298 -20.5298 -19.9294 -19.9294 -19.9148 -19.9148 -19.8876 -19.8876 -19.8325 -19.8325 -0.1793 -0.1793 -0.1715 -0.1715 7.0066 7.0066 7.2889 7.2889 7.3106 7.3106 8.3362 8.3362 8.3509 8.3509 8.6581 8.6581 13.5182 13.5182 13.5285 13.5285 14.3010 14.3010 14.3343 14.3343 14.5295 14.5295 15.5041 15.5041 k = 0.3333 0.5774 0.0512 ( 4938 PWs) bands (ev): -43.7883 -43.7883 -43.7760 -43.7760 -20.5584 -20.5584 -20.5300 -20.5300 -19.9286 -19.9286 -19.9145 -19.9145 -19.8878 -19.8878 -19.8335 -19.8335 -0.1792 -0.1792 -0.1715 -0.1715 7.0191 7.0191 7.2879 7.2879 7.3094 7.3094 8.3382 8.3382 8.3526 8.3526 8.6396 8.6396 13.4989 13.4989 13.5085 13.5085 14.3289 14.3289 14.3611 14.3611 14.5370 14.5370 15.4934 15.4934 k = 0.3333 0.5774 0.0615 ( 4950 PWs) bands (ev): -43.7881 -43.7881 -43.7761 -43.7761 -20.5580 -20.5580 -20.5302 -20.5302 -19.9277 -19.9277 -19.9142 -19.9142 -19.8881 -19.8881 -19.8347 -19.8347 -0.1792 -0.1792 -0.1714 -0.1714 7.0343 7.0343 7.2867 7.2867 7.3079 7.3079 8.3406 8.3406 8.3546 8.3546 8.6173 8.6173 13.4772 13.4772 13.4860 13.4860 14.3609 14.3609 14.3921 14.3921 14.5461 14.5461 15.4805 15.4805 k = 0.3333 0.5774 0.0717 ( 4953 PWs) bands (ev): -43.7880 -43.7880 -43.7763 -43.7763 -20.5575 -20.5575 -20.5305 -20.5305 -19.9266 -19.9266 -19.9139 -19.9139 -19.8884 -19.8884 -19.8361 -19.8361 -0.1791 -0.1791 -0.1713 -0.1713 7.0522 7.0522 7.2854 7.2854 7.3063 7.3063 8.3434 8.3434 8.3569 8.3569 8.5913 8.5913 13.4538 13.4538 13.4619 13.4619 14.3964 14.3964 14.4266 14.4266 14.5568 14.5568 15.4654 15.4654 k = 0.3333 0.5774 0.0820 ( 4956 PWs) bands (ev): -43.7878 -43.7878 -43.7765 -43.7765 -20.5570 -20.5570 -20.5307 -20.5307 -19.9253 -19.9253 -19.9135 -19.9135 -19.8888 -19.8888 -19.8377 -19.8377 -0.1791 -0.1791 -0.1713 -0.1713 7.0727 7.0727 7.2839 7.2839 7.3045 7.3045 8.3464 8.3464 8.3595 8.3595 8.5618 8.5618 13.4293 13.4293 13.4368 13.4368 14.4348 14.4348 14.4639 14.4639 14.5692 14.5692 15.4483 15.4483 k = 0.3333 0.5774 0.0922 ( 4956 PWs) bands (ev): -43.7876 -43.7876 -43.7767 -43.7767 -20.5563 -20.5563 -20.5311 -20.5311 -19.9239 -19.9239 -19.9131 -19.9131 -19.8893 -19.8893 -19.8394 -19.8394 -0.1790 -0.1790 -0.1712 -0.1712 7.0958 7.0958 7.2824 7.2824 7.3025 7.3025 8.3497 8.3497 8.3623 8.3623 8.5290 8.5290 13.4042 13.4042 13.4111 13.4111 14.4756 14.4756 14.5036 14.5036 14.5832 14.5832 15.4292 15.4292 k = 0.3333 0.5774 0.1025 ( 4956 PWs) bands (ev): -43.7873 -43.7873 -43.7769 -43.7769 -20.5557 -20.5557 -20.5315 -20.5315 -19.9223 -19.9223 -19.9126 -19.9126 -19.8897 -19.8897 -19.8414 -19.8414 -0.1789 -0.1789 -0.1711 -0.1711 7.1214 7.1214 7.2807 7.2807 7.3004 7.3004 8.3531 8.3531 8.3652 8.3652 8.4933 8.4933 13.3789 13.3789 13.3855 13.3855 14.5184 14.5184 14.5450 14.5450 14.5991 14.5991 15.4083 15.4083 k = 0.3333 0.5774 0.1127 ( 4950 PWs) bands (ev): -43.7871 -43.7871 -43.7772 -43.7772 -20.5549 -20.5549 -20.5319 -20.5319 -19.9206 -19.9206 -19.9121 -19.9121 -19.8903 -19.8903 -19.8435 -19.8435 -0.1788 -0.1788 -0.1710 -0.1710 7.1496 7.1496 7.2789 7.2789 7.2983 7.2983 8.3566 8.3566 8.3683 8.3683 8.4547 8.4547 13.3540 13.3540 13.3602 13.3602 14.5628 14.5628 14.5869 14.5869 14.6177 14.6177 15.3857 15.3857 k = 0.3333 0.5774 0.1230 ( 4947 PWs) bands (ev): -43.7868 -43.7868 -43.7774 -43.7774 -20.5542 -20.5542 -20.5324 -20.5324 -19.9187 -19.9187 -19.9115 -19.9115 -19.8908 -19.8908 -19.8457 -19.8457 -0.1787 -0.1787 -0.1709 -0.1709 7.1801 7.1801 7.2772 7.2772 7.2961 7.2961 8.3598 8.3598 8.3714 8.3714 8.4139 8.4139 13.3296 13.3296 13.3355 13.3355 14.6086 14.6086 14.6236 14.6236 14.6444 14.6444 15.3616 15.3616 k = 0.3333 0.5774 0.1332 ( 4962 PWs) bands (ev): -43.7865 -43.7865 -43.7777 -43.7777 -20.5533 -20.5533 -20.5329 -20.5329 -19.9166 -19.9166 -19.9109 -19.9109 -19.8914 -19.8914 -19.8481 -19.8481 -0.1786 -0.1786 -0.1708 -0.1708 7.2129 7.2129 7.2754 7.2754 7.2939 7.2939 8.3592 8.3592 8.3746 8.3746 8.3746 8.3746 13.3061 13.3061 13.3118 13.3118 14.6485 14.6485 14.6556 14.6556 14.6854 14.6854 15.3360 15.3360 k = 0.3333 0.5774 0.1435 ( 4974 PWs) bands (ev): -43.7862 -43.7862 -43.7780 -43.7780 -20.5525 -20.5525 -20.5334 -20.5334 -19.9145 -19.9145 -19.9103 -19.9103 -19.8921 -19.8921 -19.8507 -19.8507 -0.1785 -0.1785 -0.1707 -0.1707 7.2480 7.2480 7.2736 7.2736 7.2918 7.2918 8.3223 8.3223 8.3695 8.3695 8.3777 8.3777 13.2837 13.2837 13.2893 13.2893 14.6706 14.6706 14.7035 14.7035 14.7315 14.7315 15.3092 15.3092 k = 0.3333 0.5774 0.1537 ( 4968 PWs) bands (ev): -43.7859 -43.7859 -43.7783 -43.7783 -20.5516 -20.5516 -20.5340 -20.5340 -19.9122 -19.9122 -19.9096 -19.9096 -19.8927 -19.8927 -19.8533 -19.8533 -0.1785 -0.1785 -0.1706 -0.1706 7.2719 7.2719 7.2848 7.2848 7.2901 7.2901 8.2753 8.2753 8.3725 8.3725 8.3808 8.3808 13.2626 13.2626 13.2681 13.2681 14.6933 14.6933 14.7521 14.7521 14.7791 14.7791 15.2813 15.2813 k = 0.3333 0.5774 0.1640 ( 4968 PWs) bands (ev): -43.7856 -43.7856 -43.7787 -43.7787 -20.5507 -20.5507 -20.5346 -20.5346 -19.9098 -19.9098 -19.9089 -19.9089 -19.8934 -19.8934 -19.8561 -19.8561 -0.1784 -0.1784 -0.1705 -0.1705 7.2703 7.2703 7.2876 7.2876 7.3246 7.3246 8.2264 8.2264 8.3758 8.3758 8.3837 8.3837 13.2431 13.2431 13.2485 13.2485 14.7170 14.7170 14.8014 14.8014 14.8276 14.8276 15.2524 15.2524 k = 0.3333 0.5774 0.1742 ( 4998 PWs) bands (ev): -43.7852 -43.7852 -43.7790 -43.7790 -20.5498 -20.5498 -20.5352 -20.5352 -19.9082 -19.9082 -19.9072 -19.9072 -19.8941 -19.8941 -19.8590 -19.8590 -0.1783 -0.1783 -0.1705 -0.1705 7.2687 7.2687 7.2857 7.2857 7.3658 7.3658 8.1760 8.1760 8.3790 8.3790 8.3865 8.3865 13.2252 13.2252 13.2305 13.2305 14.7417 14.7417 14.8512 14.8512 14.8766 14.8766 15.2226 15.2226 k = 0.3333 0.5774 0.1845 ( 5004 PWs) bands (ev): -43.7849 -43.7849 -43.7794 -43.7794 -20.5488 -20.5488 -20.5359 -20.5359 -19.9075 -19.9075 -19.9046 -19.9046 -19.8949 -19.8949 -19.8619 -19.8619 -0.1782 -0.1782 -0.1704 -0.1704 7.2673 7.2673 7.2840 7.2840 7.4089 7.4089 8.1245 8.1245 8.3819 8.3819 8.3890 8.3890 13.2091 13.2091 13.2144 13.2144 14.7675 14.7675 14.9013 14.9013 14.9260 14.9260 15.1922 15.1922 k = 0.3333 0.5774 0.1947 ( 4998 PWs) bands (ev): -43.7845 -43.7845 -43.7798 -43.7798 -20.5479 -20.5479 -20.5366 -20.5366 -19.9067 -19.9067 -19.9018 -19.9018 -19.8956 -19.8956 -19.8650 -19.8650 -0.1782 -0.1782 -0.1703 -0.1703 7.2661 7.2661 7.2825 7.2825 7.4536 7.4536 8.0721 8.0721 8.3846 8.3846 8.3913 8.3913 13.1949 13.1949 13.2002 13.2002 14.7943 14.7943 14.9515 14.9515 14.9755 14.9755 15.1612 15.1612 k = 0.3333 0.5774 0.2050 ( 4998 PWs) bands (ev): -43.7841 -43.7841 -43.7801 -43.7801 -20.5469 -20.5469 -20.5374 -20.5374 -19.9060 -19.9060 -19.8990 -19.8990 -19.8964 -19.8964 -19.8680 -19.8680 -0.1781 -0.1781 -0.1703 -0.1703 7.2649 7.2649 7.2811 7.2811 7.4999 7.4999 8.0192 8.0192 8.3870 8.3870 8.3933 8.3933 13.1827 13.1827 13.1880 13.1880 14.8220 14.8220 15.0018 15.0018 15.0248 15.0248 15.1299 15.1299 k = 0.3333 0.5774 0.2152 ( 4992 PWs) bands (ev): -43.7837 -43.7837 -43.7805 -43.7805 -20.5460 -20.5460 -20.5382 -20.5382 -19.9053 -19.9053 -19.8971 -19.8971 -19.8961 -19.8961 -19.8711 -19.8711 -0.1781 -0.1781 -0.1702 -0.1702 7.2640 7.2640 7.2800 7.2800 7.5477 7.5477 7.9659 7.9659 8.3889 8.3889 8.3950 8.3950 13.1726 13.1726 13.1779 13.1779 14.8505 14.8505 15.0517 15.0517 15.0731 15.0731 15.0989 15.0989 k = 0.3333 0.5774 0.2255 ( 4995 PWs) bands (ev): -43.7833 -43.7833 -43.7809 -43.7809 -20.5451 -20.5451 -20.5389 -20.5389 -19.9046 -19.9046 -19.8978 -19.8978 -19.8931 -19.8931 -19.8743 -19.8743 -0.1780 -0.1780 -0.1702 -0.1702 7.2633 7.2633 7.2791 7.2791 7.5966 7.5966 7.9125 7.9125 8.3905 8.3905 8.3963 8.3963 13.1647 13.1647 13.1701 13.1701 14.8798 14.8798 15.0659 15.0659 15.1007 15.1007 15.1221 15.1221 k = 0.3333 0.5774 0.2357 ( 4995 PWs) bands (ev): -43.7829 -43.7829 -43.7813 -43.7813 -20.5442 -20.5442 -20.5397 -20.5397 -19.9040 -19.9040 -19.8983 -19.8983 -19.8901 -19.8901 -19.8774 -19.8774 -0.1780 -0.1780 -0.1701 -0.1701 7.2627 7.2627 7.2784 7.2784 7.6464 7.6464 7.8595 7.8595 8.3916 8.3916 8.3973 8.3973 13.1591 13.1591 13.1644 13.1644 14.9098 14.9098 15.0344 15.0344 15.1477 15.1477 15.1670 15.1670 k = 0.3333 0.5774 0.2460 ( 4998 PWs) bands (ev): -43.7825 -43.7825 -43.7817 -43.7817 -20.5436 -20.5436 -20.5403 -20.5403 -19.9036 -19.9036 -19.8988 -19.8988 -19.8870 -19.8870 -19.8806 -19.8806 -0.1780 -0.1780 -0.1701 -0.1701 7.2624 7.2624 7.2780 7.2780 7.6961 7.6961 7.8079 7.8079 8.3923 8.3923 8.3979 8.3979 13.1556 13.1556 13.1610 13.1610 14.9403 14.9403 15.0028 15.0028 15.1885 15.1885 15.2046 15.2046 k = 0.3333 0.5774 0.2562 ( 4998 PWs) bands (ev): -43.7821 -43.7821 -43.7821 -43.7821 -20.5433 -20.5433 -20.5406 -20.5406 -19.9034 -19.9034 -19.8989 -19.8989 -19.8845 -19.8845 -19.8831 -19.8831 -0.1780 -0.1780 -0.1701 -0.1701 7.2623 7.2623 7.2779 7.2779 7.7327 7.7327 7.7707 7.7707 8.3926 8.3926 8.3981 8.3981 13.1545 13.1545 13.1598 13.1598 14.9693 14.9693 14.9735 14.9735 15.2082 15.2082 15.2217 15.2217 Writing output data file TiS.save init_run : 0.13s CPU 0.26s WALL ( 1 calls) electrons : 241.97s CPU 248.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 241.96s CPU 248.03s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 386 calls) cegterg : 232.24s CPU 235.50s WALL ( 866 calls) Called by sum_band: Called by *egterg: h_psi : 116.38s CPU 118.91s WALL ( 15713 calls) s_psi : 6.32s CPU 6.23s WALL ( 15713 calls) g_psi : 0.50s CPU 0.50s WALL ( 14461 calls) cdiaghg : 85.22s CPU 86.29s WALL ( 14847 calls) cegterg:over : 10.70s CPU 10.73s WALL ( 14461 calls) cegterg:upda : 9.95s CPU 9.83s WALL ( 14461 calls) cegterg:last : 5.15s CPU 5.20s WALL ( 2473 calls) cdiaghg:chol : 4.79s CPU 4.80s WALL ( 14847 calls) cdiaghg:inve : 2.90s CPU 2.83s WALL ( 14847 calls) cdiaghg:para : 4.63s CPU 4.91s WALL ( 29694 calls) Called by h_psi: h_psi:vloc : 96.81s CPU 98.85s WALL ( 15713 calls) h_psi:vnl : 19.14s CPU 19.61s WALL ( 15713 calls) add_vuspsi : 10.30s CPU 10.46s WALL ( 15713 calls) General routines calbec : 8.79s CPU 9.12s WALL ( 15713 calls) fft : 0.01s CPU 0.00s WALL ( 15 calls) fftw : 91.65s CPU 93.70s WALL ( 1321760 calls) davcio : 0.17s CPU 0.27s WALL ( 772 calls) Parallel routines fft_scatter : 37.36s CPU 38.04s WALL ( 1321775 calls) PWSCF : 4m19.06s CPU 4m41.51s WALL This run was terminated on: 21:22: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=