Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:54:37 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: ./Na.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 31 25 7 1395 1044 162 Max 32 26 8 1402 1064 172 Sum 1135 931 271 50353 37891 5907 bravais-lattice index = 14 lattice parameter (alat) = 7.1186 a.u. unit-cell volume = 510.3591 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.118598 celldm(2)= 1.000000 celldm(3)= 1.633661 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 1.633661 ) 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 0.612122 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 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 ) ( -0.8168304 ) 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 ) ( 0.8168304 ) 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 ) ( -0.8168304 ) 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 ) ( -0.8168304 ) 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 ) ( 0.8168304 ) 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 ) ( 0.8168304 ) 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 ) ( 0.8168304 ) 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 ) ( -0.8168304 ) 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 ) ( 0.8168304 ) 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 ) ( 0.8168304 ) 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 ) ( -0.8168304 ) 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 ) ( -0.8168304 ) 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= 353 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0028329 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0028329 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0028329 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0028329 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0028329 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0028329 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0028329 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0028329 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0028329 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0028329 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0028329 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0028329 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0028329 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0028329 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0028329 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0028329 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0028329 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0028329 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0028329 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0028329 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0028329 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0028329 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0028329 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0028329 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0028329 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0028329 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0028329 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0028329 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0028329 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0028329 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0028329 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0028329 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0028329 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0028329 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0028329 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0028329 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0028329 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0028329 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0028329 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0028329 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0028329 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0028329 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0028329 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0028329 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0028329 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0028329 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0028329 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0028329 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028329 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028329 k( 52) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0028329 k( 53) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0028329 k( 54) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0028329 k( 55) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0028329 k( 56) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0028329 k( 57) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0028329 k( 58) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028329 k( 59) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0028329 k( 60) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0028329 k( 61) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0028329 k( 62) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0028329 k( 63) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0028329 k( 64) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0028329 k( 65) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028329 k( 66) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0028329 k( 67) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0028329 k( 68) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0028329 k( 69) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0028329 k( 70) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0028329 k( 71) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0028329 k( 72) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028329 k( 73) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0028329 k( 74) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0028329 k( 75) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0028329 k( 76) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0028329 k( 77) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0028329 k( 78) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0028329 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028329 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028329 k( 81) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0028329 k( 82) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0028329 k( 83) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0028329 k( 84) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0028329 k( 85) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0028329 k( 86) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0028329 k( 87) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0028329 k( 88) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0028329 k( 89) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0028329 k( 90) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0028329 k( 91) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0028329 k( 92) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0028329 k( 93) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0028329 k( 94) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028329 k( 95) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0028329 k( 96) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0028329 k( 97) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0028329 k( 98) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0028329 k( 99) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0028329 k( 100) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0028329 k( 101) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0028329 k( 102) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0028329 k( 103) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0028329 k( 104) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0028329 k( 105) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0028329 k( 106) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0028329 k( 107) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0028329 k( 108) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028329 k( 109) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0028329 k( 110) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0028329 k( 111) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0028329 k( 112) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0028329 k( 113) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0028329 k( 114) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0028329 k( 115) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0028329 k( 116) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0028329 k( 117) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0028329 k( 118) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0028329 k( 119) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0028329 k( 120) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0028329 k( 121) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0028329 k( 122) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028329 k( 123) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0028329 k( 124) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0028329 k( 125) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0028329 k( 126) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0028329 k( 127) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0028329 k( 128) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0028329 k( 129) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0028329 k( 130) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0028329 k( 131) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0028329 k( 132) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0028329 k( 133) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0028329 k( 134) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0028329 k( 135) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0028329 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 138) = ( 0.0000000 0.0000000 0.0117716), wk = 0.0028329 k( 139) = ( 0.0000000 0.0000000 0.0235432), wk = 0.0028329 k( 140) = ( 0.0000000 0.0000000 0.0353147), wk = 0.0028329 k( 141) = ( 0.0000000 0.0000000 0.0470863), wk = 0.0028329 k( 142) = ( 0.0000000 0.0000000 0.0588579), wk = 0.0028329 k( 143) = ( 0.0000000 0.0000000 0.0706295), wk = 0.0028329 k( 144) = ( 0.0000000 0.0000000 0.0824011), wk = 0.0028329 k( 145) = ( 0.0000000 0.0000000 0.0941726), wk = 0.0028329 k( 146) = ( 0.0000000 0.0000000 0.1059442), wk = 0.0028329 k( 147) = ( 0.0000000 0.0000000 0.1177158), wk = 0.0028329 k( 148) = ( 0.0000000 0.0000000 0.1294874), wk = 0.0028329 k( 149) = ( 0.0000000 0.0000000 0.1412590), wk = 0.0028329 k( 150) = ( 0.0000000 0.0000000 0.1530305), wk = 0.0028329 k( 151) = ( 0.0000000 0.0000000 0.1648021), wk = 0.0028329 k( 152) = ( 0.0000000 0.0000000 0.1765737), wk = 0.0028329 k( 153) = ( 0.0000000 0.0000000 0.1883453), wk = 0.0028329 k( 154) = ( 0.0000000 0.0000000 0.2001169), wk = 0.0028329 k( 155) = ( 0.0000000 0.0000000 0.2118885), wk = 0.0028329 k( 156) = ( 0.0000000 0.0000000 0.2236600), wk = 0.0028329 k( 157) = ( 0.0000000 0.0000000 0.2354316), wk = 0.0028329 k( 158) = ( 0.0000000 0.0000000 0.2472032), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.2589748), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.2707464), wk = 0.0028329 k( 161) = ( 0.0000000 0.0000000 0.2825179), wk = 0.0028329 k( 162) = ( 0.0000000 0.0000000 0.2942895), wk = 0.0028329 k( 163) = ( 0.0000000 0.0000000 0.3060611), wk = 0.0028329 k( 164) = ( 0.0000000 0.0000000 0.3060611), wk = 0.0028329 k( 165) = ( 0.0102041 0.0058913 0.3060611), wk = 0.0028329 k( 166) = ( 0.0204082 0.0117827 0.3060611), wk = 0.0028329 k( 167) = ( 0.0306122 0.0176740 0.3060611), wk = 0.0028329 k( 168) = ( 0.0408163 0.0235653 0.3060611), wk = 0.0028329 k( 169) = ( 0.0510204 0.0294566 0.3060611), wk = 0.0028329 k( 170) = ( 0.0612245 0.0353480 0.3060611), wk = 0.0028329 k( 171) = ( 0.0714286 0.0412393 0.3060611), wk = 0.0028329 k( 172) = ( 0.0816327 0.0471306 0.3060611), wk = 0.0028329 k( 173) = ( 0.0918367 0.0530220 0.3060611), wk = 0.0028329 k( 174) = ( 0.1020408 0.0589133 0.3060611), wk = 0.0028329 k( 175) = ( 0.1122449 0.0648046 0.3060611), wk = 0.0028329 k( 176) = ( 0.1224490 0.0706960 0.3060611), wk = 0.0028329 k( 177) = ( 0.1326531 0.0765873 0.3060611), wk = 0.0028329 k( 178) = ( 0.1428571 0.0824786 0.3060611), wk = 0.0028329 k( 179) = ( 0.1530612 0.0883699 0.3060611), wk = 0.0028329 k( 180) = ( 0.1632653 0.0942613 0.3060611), wk = 0.0028329 k( 181) = ( 0.1734694 0.1001526 0.3060611), wk = 0.0028329 k( 182) = ( 0.1836735 0.1060439 0.3060611), wk = 0.0028329 k( 183) = ( 0.1938776 0.1119353 0.3060611), wk = 0.0028329 k( 184) = ( 0.2040816 0.1178266 0.3060611), wk = 0.0028329 k( 185) = ( 0.2142857 0.1237179 0.3060611), wk = 0.0028329 k( 186) = ( 0.2244898 0.1296092 0.3060611), wk = 0.0028329 k( 187) = ( 0.2346939 0.1355006 0.3060611), wk = 0.0028329 k( 188) = ( 0.2448980 0.1413919 0.3060611), wk = 0.0028329 k( 189) = ( 0.2551020 0.1472832 0.3060611), wk = 0.0028329 k( 190) = ( 0.2653061 0.1531746 0.3060611), wk = 0.0028329 k( 191) = ( 0.2755102 0.1590659 0.3060611), wk = 0.0028329 k( 192) = ( 0.2857143 0.1649572 0.3060611), wk = 0.0028329 k( 193) = ( 0.2959184 0.1708486 0.3060611), wk = 0.0028329 k( 194) = ( 0.3061224 0.1767399 0.3060611), wk = 0.0028329 k( 195) = ( 0.3163265 0.1826312 0.3060611), wk = 0.0028329 k( 196) = ( 0.3265306 0.1885225 0.3060611), wk = 0.0028329 k( 197) = ( 0.3367347 0.1944139 0.3060611), wk = 0.0028329 k( 198) = ( 0.3469388 0.2003052 0.3060611), wk = 0.0028329 k( 199) = ( 0.3571429 0.2061965 0.3060611), wk = 0.0028329 k( 200) = ( 0.3673469 0.2120879 0.3060611), wk = 0.0028329 k( 201) = ( 0.3775510 0.2179792 0.3060611), wk = 0.0028329 k( 202) = ( 0.3877551 0.2238705 0.3060611), wk = 0.0028329 k( 203) = ( 0.3979592 0.2297618 0.3060611), wk = 0.0028329 k( 204) = ( 0.4081633 0.2356532 0.3060611), wk = 0.0028329 k( 205) = ( 0.4183674 0.2415445 0.3060611), wk = 0.0028329 k( 206) = ( 0.4285714 0.2474358 0.3060611), wk = 0.0028329 k( 207) = ( 0.4387755 0.2533272 0.3060611), wk = 0.0028329 k( 208) = ( 0.4489796 0.2592185 0.3060611), wk = 0.0028329 k( 209) = ( 0.4591837 0.2651098 0.3060611), wk = 0.0028329 k( 210) = ( 0.4693878 0.2710011 0.3060611), wk = 0.0028329 k( 211) = ( 0.4795918 0.2768925 0.3060611), wk = 0.0028329 k( 212) = ( 0.4897959 0.2827838 0.3060611), wk = 0.0028329 k( 213) = ( 0.5000000 0.2886751 0.3060611), wk = 0.0028329 k( 214) = ( 0.5000000 0.2886751 0.3060611), wk = 0.0028329 k( 215) = ( 0.4940476 0.2989850 0.3060611), wk = 0.0028329 k( 216) = ( 0.4880952 0.3092948 0.3060611), wk = 0.0028329 k( 217) = ( 0.4821429 0.3196046 0.3060611), wk = 0.0028329 k( 218) = ( 0.4761905 0.3299144 0.3060611), wk = 0.0028329 k( 219) = ( 0.4702381 0.3402243 0.3060611), wk = 0.0028329 k( 220) = ( 0.4642857 0.3505341 0.3060611), wk = 0.0028329 k( 221) = ( 0.4583333 0.3608439 0.3060611), wk = 0.0028329 k( 222) = ( 0.4523810 0.3711537 0.3060611), wk = 0.0028329 k( 223) = ( 0.4464286 0.3814636 0.3060611), wk = 0.0028329 k( 224) = ( 0.4404762 0.3917734 0.3060611), wk = 0.0028329 k( 225) = ( 0.4345238 0.4020832 0.3060611), wk = 0.0028329 k( 226) = ( 0.4285714 0.4123930 0.3060611), wk = 0.0028329 k( 227) = ( 0.4226190 0.4227029 0.3060611), wk = 0.0028329 k( 228) = ( 0.4166667 0.4330127 0.3060611), wk = 0.0028329 k( 229) = ( 0.4107143 0.4433225 0.3060611), wk = 0.0028329 k( 230) = ( 0.4047619 0.4536324 0.3060611), wk = 0.0028329 k( 231) = ( 0.3988095 0.4639422 0.3060611), wk = 0.0028329 k( 232) = ( 0.3928571 0.4742520 0.3060611), wk = 0.0028329 k( 233) = ( 0.3869048 0.4845618 0.3060611), wk = 0.0028329 k( 234) = ( 0.3809524 0.4948717 0.3060611), wk = 0.0028329 k( 235) = ( 0.3750000 0.5051815 0.3060611), wk = 0.0028329 k( 236) = ( 0.3690476 0.5154913 0.3060611), wk = 0.0028329 k( 237) = ( 0.3630952 0.5258011 0.3060611), wk = 0.0028329 k( 238) = ( 0.3571429 0.5361110 0.3060611), wk = 0.0028329 k( 239) = ( 0.3511905 0.5464208 0.3060611), wk = 0.0028329 k( 240) = ( 0.3452381 0.5567306 0.3060611), wk = 0.0028329 k( 241) = ( 0.3392857 0.5670404 0.3060611), wk = 0.0028329 k( 242) = ( 0.3333333 0.5773503 0.3060611), wk = 0.0028329 k( 243) = ( 0.3333333 0.5773503 0.3060611), wk = 0.0028329 k( 244) = ( 0.3273810 0.5670404 0.3060611), wk = 0.0028329 k( 245) = ( 0.3214286 0.5567306 0.3060611), wk = 0.0028329 k( 246) = ( 0.3154762 0.5464208 0.3060611), wk = 0.0028329 k( 247) = ( 0.3095238 0.5361110 0.3060611), wk = 0.0028329 k( 248) = ( 0.3035714 0.5258011 0.3060611), wk = 0.0028329 k( 249) = ( 0.2976190 0.5154913 0.3060611), wk = 0.0028329 k( 250) = ( 0.2916667 0.5051815 0.3060611), wk = 0.0028329 k( 251) = ( 0.2857143 0.4948717 0.3060611), wk = 0.0028329 k( 252) = ( 0.2797619 0.4845618 0.3060611), wk = 0.0028329 k( 253) = ( 0.2738095 0.4742520 0.3060611), wk = 0.0028329 k( 254) = ( 0.2678571 0.4639422 0.3060611), wk = 0.0028329 k( 255) = ( 0.2619048 0.4536324 0.3060611), wk = 0.0028329 k( 256) = ( 0.2559524 0.4433225 0.3060611), wk = 0.0028329 k( 257) = ( 0.2500000 0.4330127 0.3060611), wk = 0.0028329 k( 258) = ( 0.2440476 0.4227029 0.3060611), wk = 0.0028329 k( 259) = ( 0.2380952 0.4123931 0.3060611), wk = 0.0028329 k( 260) = ( 0.2321429 0.4020832 0.3060611), wk = 0.0028329 k( 261) = ( 0.2261905 0.3917734 0.3060611), wk = 0.0028329 k( 262) = ( 0.2202381 0.3814636 0.3060611), wk = 0.0028329 k( 263) = ( 0.2142857 0.3711537 0.3060611), wk = 0.0028329 k( 264) = ( 0.2083333 0.3608439 0.3060611), wk = 0.0028329 k( 265) = ( 0.2023810 0.3505341 0.3060611), wk = 0.0028329 k( 266) = ( 0.1964286 0.3402243 0.3060611), wk = 0.0028329 k( 267) = ( 0.1904762 0.3299144 0.3060611), wk = 0.0028329 k( 268) = ( 0.1845238 0.3196046 0.3060611), wk = 0.0028329 k( 269) = ( 0.1785714 0.3092948 0.3060611), wk = 0.0028329 k( 270) = ( 0.1726190 0.2989850 0.3060611), wk = 0.0028329 k( 271) = ( 0.1666667 0.2886751 0.3060611), wk = 0.0028329 k( 272) = ( 0.1607143 0.2783653 0.3060611), wk = 0.0028329 k( 273) = ( 0.1547619 0.2680555 0.3060611), wk = 0.0028329 k( 274) = ( 0.1488095 0.2577456 0.3060611), wk = 0.0028329 k( 275) = ( 0.1428571 0.2474358 0.3060611), wk = 0.0028329 k( 276) = ( 0.1369048 0.2371260 0.3060611), wk = 0.0028329 k( 277) = ( 0.1309524 0.2268162 0.3060611), wk = 0.0028329 k( 278) = ( 0.1250000 0.2165064 0.3060611), wk = 0.0028329 k( 279) = ( 0.1190476 0.2061965 0.3060611), wk = 0.0028329 k( 280) = ( 0.1130952 0.1958867 0.3060611), wk = 0.0028329 k( 281) = ( 0.1071429 0.1855769 0.3060611), wk = 0.0028329 k( 282) = ( 0.1011905 0.1752671 0.3060611), wk = 0.0028329 k( 283) = ( 0.0952381 0.1649572 0.3060611), wk = 0.0028329 k( 284) = ( 0.0892857 0.1546474 0.3060611), wk = 0.0028329 k( 285) = ( 0.0833333 0.1443376 0.3060611), wk = 0.0028329 k( 286) = ( 0.0773810 0.1340277 0.3060611), wk = 0.0028329 k( 287) = ( 0.0714286 0.1237179 0.3060611), wk = 0.0028329 k( 288) = ( 0.0654762 0.1134081 0.3060611), wk = 0.0028329 k( 289) = ( 0.0595238 0.1030983 0.3060611), wk = 0.0028329 k( 290) = ( 0.0535714 0.0927884 0.3060611), wk = 0.0028329 k( 291) = ( 0.0476191 0.0824786 0.3060611), wk = 0.0028329 k( 292) = ( 0.0416667 0.0721688 0.3060611), wk = 0.0028329 k( 293) = ( 0.0357143 0.0618590 0.3060611), wk = 0.0028329 k( 294) = ( 0.0297619 0.0515491 0.3060611), wk = 0.0028329 k( 295) = ( 0.0238095 0.0412393 0.3060611), wk = 0.0028329 k( 296) = ( 0.0178571 0.0309295 0.3060611), wk = 0.0028329 k( 297) = ( 0.0119048 0.0206196 0.3060611), wk = 0.0028329 k( 298) = ( 0.0059524 0.0103098 0.3060611), wk = 0.0028329 k( 299) = ( 0.0000000 0.0000000 0.3060611), wk = 0.0028329 k( 300) = ( 0.5000000 0.2886751 0.3060611), wk = 0.0028329 k( 301) = ( 0.5000000 0.2886751 0.2942895), wk = 0.0028329 k( 302) = ( 0.5000000 0.2886751 0.2825179), wk = 0.0028329 k( 303) = ( 0.5000000 0.2886751 0.2707464), wk = 0.0028329 k( 304) = ( 0.5000000 0.2886751 0.2589748), wk = 0.0028329 k( 305) = ( 0.5000000 0.2886751 0.2472032), wk = 0.0028329 k( 306) = ( 0.5000000 0.2886751 0.2354316), wk = 0.0028329 k( 307) = ( 0.5000000 0.2886751 0.2236600), wk = 0.0028329 k( 308) = ( 0.5000000 0.2886751 0.2118885), wk = 0.0028329 k( 309) = ( 0.5000000 0.2886751 0.2001169), wk = 0.0028329 k( 310) = ( 0.5000000 0.2886751 0.1883453), wk = 0.0028329 k( 311) = ( 0.5000000 0.2886751 0.1765737), wk = 0.0028329 k( 312) = ( 0.5000000 0.2886751 0.1648021), wk = 0.0028329 k( 313) = ( 0.5000000 0.2886751 0.1530305), wk = 0.0028329 k( 314) = ( 0.5000000 0.2886751 0.1412590), wk = 0.0028329 k( 315) = ( 0.5000000 0.2886751 0.1294874), wk = 0.0028329 k( 316) = ( 0.5000000 0.2886751 0.1177158), wk = 0.0028329 k( 317) = ( 0.5000000 0.2886751 0.1059442), wk = 0.0028329 k( 318) = ( 0.5000000 0.2886751 0.0941726), wk = 0.0028329 k( 319) = ( 0.5000000 0.2886751 0.0824011), wk = 0.0028329 k( 320) = ( 0.5000000 0.2886751 0.0706295), wk = 0.0028329 k( 321) = ( 0.5000000 0.2886751 0.0588579), wk = 0.0028329 k( 322) = ( 0.5000000 0.2886751 0.0470863), wk = 0.0028329 k( 323) = ( 0.5000000 0.2886751 0.0353147), wk = 0.0028329 k( 324) = ( 0.5000000 0.2886751 0.0235432), wk = 0.0028329 k( 325) = ( 0.5000000 0.2886751 0.0117716), wk = 0.0028329 k( 326) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028329 k( 327) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028329 k( 328) = ( 0.3333333 0.5773503 0.0117716), wk = 0.0028329 k( 329) = ( 0.3333333 0.5773503 0.0235432), wk = 0.0028329 k( 330) = ( 0.3333333 0.5773503 0.0353147), wk = 0.0028329 k( 331) = ( 0.3333333 0.5773503 0.0470863), wk = 0.0028329 k( 332) = ( 0.3333333 0.5773503 0.0588579), wk = 0.0028329 k( 333) = ( 0.3333333 0.5773503 0.0706295), wk = 0.0028329 k( 334) = ( 0.3333333 0.5773503 0.0824011), wk = 0.0028329 k( 335) = ( 0.3333333 0.5773503 0.0941726), wk = 0.0028329 k( 336) = ( 0.3333333 0.5773503 0.1059442), wk = 0.0028329 k( 337) = ( 0.3333333 0.5773503 0.1177158), wk = 0.0028329 k( 338) = ( 0.3333333 0.5773503 0.1294874), wk = 0.0028329 k( 339) = ( 0.3333333 0.5773503 0.1412590), wk = 0.0028329 k( 340) = ( 0.3333333 0.5773503 0.1530305), wk = 0.0028329 k( 341) = ( 0.3333333 0.5773503 0.1648021), wk = 0.0028329 k( 342) = ( 0.3333333 0.5773503 0.1765737), wk = 0.0028329 k( 343) = ( 0.3333333 0.5773503 0.1883453), wk = 0.0028329 k( 344) = ( 0.3333333 0.5773503 0.2001169), wk = 0.0028329 k( 345) = ( 0.3333333 0.5773503 0.2118885), wk = 0.0028329 k( 346) = ( 0.3333333 0.5773503 0.2236600), wk = 0.0028329 k( 347) = ( 0.3333333 0.5773503 0.2354316), wk = 0.0028329 k( 348) = ( 0.3333333 0.5773503 0.2472032), wk = 0.0028329 k( 349) = ( 0.3333333 0.5773503 0.2589748), wk = 0.0028329 k( 350) = ( 0.3333333 0.5773503 0.2707464), wk = 0.0028329 k( 351) = ( 0.3333333 0.5773503 0.2825179), wk = 0.0028329 k( 352) = ( 0.3333333 0.5773503 0.2942895), wk = 0.0028329 k( 353) = ( 0.3333333 0.5773503 0.3060611), wk = 0.0028329 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0102041 0.0000000 -0.0000000), wk = 0.0028329 k( 3) = ( 0.0204082 0.0000000 -0.0000000), wk = 0.0028329 k( 4) = ( 0.0306122 0.0000000 -0.0000000), wk = 0.0028329 k( 5) = ( 0.0408163 0.0000000 -0.0000000), wk = 0.0028329 k( 6) = ( 0.0510204 -0.0000000 -0.0000000), wk = 0.0028329 k( 7) = ( 0.0612245 0.0000000 -0.0000000), wk = 0.0028329 k( 8) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0028329 k( 9) = ( 0.0816327 0.0000000 -0.0000000), wk = 0.0028329 k( 10) = ( 0.0918367 0.0000000 -0.0000000), wk = 0.0028329 k( 11) = ( 0.1020408 -0.0000000 -0.0000000), wk = 0.0028329 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0028329 k( 13) = ( 0.1224490 0.0000000 -0.0000000), wk = 0.0028329 k( 14) = ( 0.1326531 -0.0000000 -0.0000000), wk = 0.0028329 k( 15) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0028329 k( 16) = ( 0.1530612 0.0000000 -0.0000000), wk = 0.0028329 k( 17) = ( 0.1632653 0.0000000 -0.0000000), wk = 0.0028329 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0028329 k( 19) = ( 0.1836735 0.0000000 -0.0000000), wk = 0.0028329 k( 20) = ( 0.1938776 -0.0000000 -0.0000000), wk = 0.0028329 k( 21) = ( 0.2040816 -0.0000000 -0.0000000), wk = 0.0028329 k( 22) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0028329 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0028329 k( 24) = ( 0.2346939 0.0000000 -0.0000000), wk = 0.0028329 k( 25) = ( 0.2448980 0.0000000 -0.0000000), wk = 0.0028329 k( 26) = ( 0.2551020 0.0000000 -0.0000000), wk = 0.0028329 k( 27) = ( 0.2653061 -0.0000000 -0.0000000), wk = 0.0028329 k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0028329 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0028329 k( 30) = ( 0.2959184 0.0000000 -0.0000000), wk = 0.0028329 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0028329 k( 32) = ( 0.3163265 0.0000000 -0.0000000), wk = 0.0028329 k( 33) = ( 0.3265306 0.0000000 0.0000000), wk = 0.0028329 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0028329 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0028329 k( 36) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0028329 k( 37) = ( 0.3673469 0.0000000 -0.0000000), wk = 0.0028329 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0028329 k( 39) = ( 0.3877551 -0.0000000 -0.0000000), wk = 0.0028329 k( 40) = ( 0.3979592 0.0000000 -0.0000000), wk = 0.0028329 k( 41) = ( 0.4081633 0.0000000 -0.0000000), wk = 0.0028329 k( 42) = ( 0.4183674 0.0000000 -0.0000000), wk = 0.0028329 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0028329 k( 44) = ( 0.4387755 0.0000000 -0.0000000), wk = 0.0028329 k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0028329 k( 46) = ( 0.4591837 0.0000000 -0.0000000), wk = 0.0028329 k( 47) = ( 0.4693878 0.0000000 -0.0000000), wk = 0.0028329 k( 48) = ( 0.4795918 0.0000000 -0.0000000), wk = 0.0028329 k( 49) = ( 0.4897959 0.0000000 -0.0000000), wk = 0.0028329 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028329 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028329 k( 52) = ( 0.4940476 0.0119048 -0.0000000), wk = 0.0028329 k( 53) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0028329 k( 54) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0028329 k( 55) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0028329 k( 56) = ( 0.4702381 0.0595238 -0.0000000), wk = 0.0028329 k( 57) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0028329 k( 58) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0028329 k( 59) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0028329 k( 60) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0028329 k( 61) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0028329 k( 62) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0028329 k( 63) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0028329 k( 64) = ( 0.4226190 0.1547619 -0.0000000), wk = 0.0028329 k( 65) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0028329 k( 66) = ( 0.4107143 0.1785714 -0.0000000), wk = 0.0028329 k( 67) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0028329 k( 68) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0028329 k( 69) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0028329 k( 70) = ( 0.3869048 0.2261905 -0.0000000), wk = 0.0028329 k( 71) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0028329 k( 72) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0028329 k( 73) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0028329 k( 74) = ( 0.3630952 0.2738095 -0.0000000), wk = 0.0028329 k( 75) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0028329 k( 76) = ( 0.3511905 0.2976190 0.0000000), wk = 0.0028329 k( 77) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0028329 k( 78) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0028329 k( 79) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028329 k( 80) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028329 k( 81) = ( 0.3273810 0.3273810 0.0000000), wk = 0.0028329 k( 82) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0028329 k( 83) = ( 0.3154762 0.3154762 0.0000000), wk = 0.0028329 k( 84) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0028329 k( 85) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0028329 k( 86) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0028329 k( 87) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0028329 k( 88) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028329 k( 89) = ( 0.2797619 0.2797619 -0.0000000), wk = 0.0028329 k( 90) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0028329 k( 91) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0028329 k( 92) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0028329 k( 93) = ( 0.2559524 0.2559524 -0.0000000), wk = 0.0028329 k( 94) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028329 k( 95) = ( 0.2440476 0.2440476 -0.0000000), wk = 0.0028329 k( 96) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0028329 k( 97) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0028329 k( 98) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0028329 k( 99) = ( 0.2202381 0.2202381 0.0000000), wk = 0.0028329 k( 100) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028329 k( 101) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0028329 k( 102) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0028329 k( 103) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0028329 k( 104) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0028329 k( 105) = ( 0.1845238 0.1845238 0.0000000), wk = 0.0028329 k( 106) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028329 k( 107) = ( 0.1726190 0.1726191 0.0000000), wk = 0.0028329 k( 108) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028329 k( 109) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0028329 k( 110) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0028329 k( 111) = ( 0.1488095 0.1488095 -0.0000000), wk = 0.0028329 k( 112) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028329 k( 113) = ( 0.1369048 0.1369048 0.0000000), wk = 0.0028329 k( 114) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0028329 k( 115) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028329 k( 116) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0028329 k( 117) = ( 0.1130952 0.1130952 -0.0000000), wk = 0.0028329 k( 118) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028329 k( 119) = ( 0.1011905 0.1011905 -0.0000000), wk = 0.0028329 k( 120) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0028329 k( 121) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0028329 k( 122) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028329 k( 123) = ( 0.0773810 0.0773810 -0.0000000), wk = 0.0028329 k( 124) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028329 k( 125) = ( 0.0654762 0.0654762 0.0000000), wk = 0.0028329 k( 126) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0028329 k( 127) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0028329 k( 128) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0028329 k( 129) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0028329 k( 130) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028329 k( 131) = ( 0.0297619 0.0297619 0.0000000), wk = 0.0028329 k( 132) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0028329 k( 133) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0028329 k( 134) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0028329 k( 135) = ( 0.0059524 0.0059524 0.0000000), wk = 0.0028329 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 138) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0028329 k( 139) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0028329 k( 140) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0028329 k( 141) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0028329 k( 142) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0028329 k( 143) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0028329 k( 144) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0028329 k( 145) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0028329 k( 146) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0028329 k( 147) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0028329 k( 148) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0028329 k( 149) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0028329 k( 150) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028329 k( 151) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0028329 k( 152) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0028329 k( 153) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0028329 k( 154) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0028329 k( 155) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0028329 k( 156) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0028329 k( 157) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0028329 k( 158) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0028329 k( 161) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0028329 k( 162) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0028329 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 165) = ( 0.0102041 0.0000000 0.5000000), wk = 0.0028329 k( 166) = ( 0.0204082 0.0000000 0.5000000), wk = 0.0028329 k( 167) = ( 0.0306122 0.0000000 0.5000000), wk = 0.0028329 k( 168) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0028329 k( 169) = ( 0.0510204 -0.0000000 0.5000000), wk = 0.0028329 k( 170) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0028329 k( 171) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0028329 k( 172) = ( 0.0816327 0.0000000 0.5000000), wk = 0.0028329 k( 173) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0028329 k( 174) = ( 0.1020408 -0.0000000 0.5000000), wk = 0.0028329 k( 175) = ( 0.1122449 0.0000000 0.5000000), wk = 0.0028329 k( 176) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0028329 k( 177) = ( 0.1326531 -0.0000000 0.5000000), wk = 0.0028329 k( 178) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0028329 k( 179) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0028329 k( 180) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0028329 k( 181) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0028329 k( 182) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0028329 k( 183) = ( 0.1938776 -0.0000000 0.5000000), wk = 0.0028329 k( 184) = ( 0.2040816 -0.0000000 0.5000000), wk = 0.0028329 k( 185) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0028329 k( 186) = ( 0.2244898 0.0000000 0.5000000), wk = 0.0028329 k( 187) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0028329 k( 188) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0028329 k( 189) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0028329 k( 190) = ( 0.2653061 -0.0000000 0.5000000), wk = 0.0028329 k( 191) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0028329 k( 192) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0028329 k( 193) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0028329 k( 194) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0028329 k( 195) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0028329 k( 196) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0028329 k( 197) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0028329 k( 198) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0028329 k( 199) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0028329 k( 200) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0028329 k( 201) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0028329 k( 202) = ( 0.3877551 -0.0000000 0.5000000), wk = 0.0028329 k( 203) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0028329 k( 204) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0028329 k( 205) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0028329 k( 206) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0028329 k( 207) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0028329 k( 208) = ( 0.4489796 -0.0000000 0.5000000), wk = 0.0028329 k( 209) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0028329 k( 210) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0028329 k( 211) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0028329 k( 212) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0028329 k( 213) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 k( 214) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 k( 215) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0028329 k( 216) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0028329 k( 217) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0028329 k( 218) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0028329 k( 219) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0028329 k( 220) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0028329 k( 221) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028329 k( 222) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0028329 k( 223) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0028329 k( 224) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0028329 k( 225) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0028329 k( 226) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0028329 k( 227) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0028329 k( 228) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028329 k( 229) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0028329 k( 230) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0028329 k( 231) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0028329 k( 232) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0028329 k( 233) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0028329 k( 234) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0028329 k( 235) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028329 k( 236) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0028329 k( 237) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0028329 k( 238) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0028329 k( 239) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0028329 k( 240) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0028329 k( 241) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0028329 k( 242) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028329 k( 243) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028329 k( 244) = ( 0.3273810 0.3273810 0.5000000), wk = 0.0028329 k( 245) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028329 k( 246) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0028329 k( 247) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0028329 k( 248) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028329 k( 249) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0028329 k( 250) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0028329 k( 251) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028329 k( 252) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0028329 k( 253) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0028329 k( 254) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028329 k( 255) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0028329 k( 256) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0028329 k( 257) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028329 k( 258) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0028329 k( 259) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0028329 k( 260) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028329 k( 261) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0028329 k( 262) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0028329 k( 263) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028329 k( 264) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0028329 k( 265) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0028329 k( 266) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028329 k( 267) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0028329 k( 268) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0028329 k( 269) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028329 k( 270) = ( 0.1726190 0.1726191 0.5000000), wk = 0.0028329 k( 271) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028329 k( 272) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028329 k( 273) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0028329 k( 274) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0028329 k( 275) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028329 k( 276) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0028329 k( 277) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0028329 k( 278) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028329 k( 279) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0028329 k( 280) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0028329 k( 281) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028329 k( 282) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0028329 k( 283) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0028329 k( 284) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028329 k( 285) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028329 k( 286) = ( 0.0773810 0.0773810 0.5000000), wk = 0.0028329 k( 287) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028329 k( 288) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0028329 k( 289) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0028329 k( 290) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028329 k( 291) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0028329 k( 292) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0028329 k( 293) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028329 k( 294) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0028329 k( 295) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0028329 k( 296) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028329 k( 297) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0028329 k( 298) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0028329 k( 299) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 300) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 k( 301) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0028329 k( 302) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0028329 k( 303) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0028329 k( 304) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0028329 k( 305) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0028329 k( 306) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0028329 k( 307) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0028329 k( 308) = ( 0.5000000 0.0000000 0.3461539), wk = 0.0028329 k( 309) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0028329 k( 310) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0028329 k( 311) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0028329 k( 312) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0028329 k( 313) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028329 k( 314) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0028329 k( 315) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0028329 k( 316) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0028329 k( 317) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0028329 k( 318) = ( 0.5000000 0.0000000 0.1538462), wk = 0.0028329 k( 319) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0028329 k( 320) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0028329 k( 321) = ( 0.5000000 0.0000000 0.0961539), wk = 0.0028329 k( 322) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0028329 k( 323) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0028329 k( 324) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0028329 k( 325) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0028329 k( 326) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028329 k( 327) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028329 k( 328) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0028329 k( 329) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0028329 k( 330) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0028329 k( 331) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0028329 k( 332) = ( 0.3333333 0.3333333 0.0961539), wk = 0.0028329 k( 333) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0028329 k( 334) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0028329 k( 335) = ( 0.3333333 0.3333333 0.1538462), wk = 0.0028329 k( 336) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0028329 k( 337) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0028329 k( 338) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0028329 k( 339) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0028329 k( 340) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028329 k( 341) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0028329 k( 342) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0028329 k( 343) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0028329 k( 344) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0028329 k( 345) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0028329 k( 346) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0028329 k( 347) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0028329 k( 348) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0028329 k( 349) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0028329 k( 350) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0028329 k( 351) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0028329 k( 352) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0028329 k( 353) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028329 Dense grid: 50353 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 37891 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 272, 26) NL pseudopotentials 0.06 Mb ( 136, 28) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1402) G-vector shells 0.00 Mb ( 644) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.43 Mb ( 272, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.02 Mb ( 28, 2, 26) The potential is recalculated from file : ./Na.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.0 secs Computing kpt #: 3 total cpu time spent up to now is 1.2 secs Computing kpt #: 4 total cpu time spent up to now is 1.4 secs Computing kpt #: 5 total cpu time spent up to now is 1.5 secs Computing kpt #: 6 total cpu time spent up to now is 1.7 secs Computing kpt #: 7 total cpu time spent up to now is 1.8 secs Computing kpt #: 8 total cpu time spent up to now is 1.9 secs Computing kpt #: 9 total cpu time spent up to now is 2.1 secs Computing kpt #: 10 total cpu time spent up to now is 2.2 secs Computing kpt #: 11 total cpu time spent up to now is 2.3 secs Computing kpt #: 12 total cpu time spent up to now is 2.5 secs Computing kpt #: 13 total cpu time spent up to now is 2.6 secs Computing kpt #: 14 total cpu time spent up to now is 2.7 secs Computing kpt #: 15 total cpu time spent up to now is 2.8 secs Computing kpt #: 16 total cpu time spent up to now is 3.0 secs Computing kpt #: 17 total cpu time spent up to now is 3.1 secs Computing kpt #: 18 total cpu time spent up to now is 3.2 secs Computing kpt #: 19 total cpu time spent up to now is 3.3 secs Computing kpt #: 20 total cpu time spent up to now is 3.5 secs Computing kpt #: 21 total cpu time spent up to now is 3.6 secs Computing kpt #: 22 total cpu time spent up to now is 3.7 secs Computing kpt #: 23 total cpu time spent up to now is 3.9 secs Computing kpt #: 24 total cpu time spent up to now is 4.0 secs Computing kpt #: 25 total cpu time spent up to now is 4.1 secs Computing kpt #: 26 total cpu time spent up to now is 4.3 secs Computing kpt #: 27 total cpu time spent up to now is 4.4 secs Computing kpt #: 28 total cpu time spent up to now is 4.5 secs Computing kpt #: 29 total cpu time spent up to now is 4.6 secs Computing kpt #: 30 total cpu time spent up to now is 4.8 secs Computing kpt #: 31 total cpu time spent up to now is 4.9 secs Computing kpt #: 32 total cpu time spent up to now is 5.0 secs Computing kpt #: 33 total cpu time spent up to now is 5.2 secs Computing kpt #: 34 total cpu time spent up to now is 5.3 secs Computing kpt #: 35 total cpu time spent up to now is 5.4 secs Computing kpt #: 36 total cpu time spent up to now is 5.5 secs Computing kpt #: 37 total cpu time spent up to now is 5.7 secs Computing kpt #: 38 total cpu time spent up to now is 5.8 secs Computing kpt #: 39 total cpu time spent up to now is 5.9 secs Computing kpt #: 40 total cpu time spent up to now is 6.0 secs Computing kpt #: 41 total cpu time spent up to now is 6.2 secs Computing kpt #: 42 total cpu time spent up to now is 6.3 secs Computing kpt #: 43 total cpu time spent up to now is 6.4 secs Computing kpt #: 44 total cpu time spent up to now is 6.5 secs Computing kpt #: 45 total cpu time spent up to now is 6.7 secs Computing kpt #: 46 total cpu time spent up to now is 6.8 secs Computing kpt #: 47 total cpu time spent up to now is 6.9 secs Computing kpt #: 48 total cpu time spent up to now is 7.0 secs Computing kpt #: 49 total cpu time spent up to now is 7.2 secs Computing kpt #: 50 total cpu time spent up to now is 7.3 secs Computing kpt #: 51 total cpu time spent up to now is 7.4 secs Computing kpt #: 52 total cpu time spent up to now is 7.5 secs Computing kpt #: 53 total cpu time spent up to now is 7.7 secs Computing kpt #: 54 total cpu time spent up to now is 7.8 secs Computing kpt #: 55 total cpu time spent up to now is 7.9 secs Computing kpt #: 56 total cpu time spent up to now is 8.0 secs Computing kpt #: 57 total cpu time spent up to now is 8.2 secs Computing kpt #: 58 total cpu time spent up to now is 8.3 secs Computing kpt #: 59 total cpu time spent up to now is 8.4 secs Computing kpt #: 60 total cpu time spent up to now is 8.5 secs Computing kpt #: 61 total cpu time spent up to now is 8.7 secs Computing kpt #: 62 total cpu time spent up to now is 8.8 secs Computing kpt #: 63 total cpu time spent up to now is 8.9 secs Computing kpt #: 64 total cpu time spent up to now is 9.0 secs Computing kpt #: 65 total cpu time spent up to now is 9.2 secs Computing kpt #: 66 total cpu time spent up to now is 9.3 secs Computing kpt #: 67 total cpu time spent up to now is 9.4 secs Computing kpt #: 68 total cpu time spent up to now is 9.5 secs Computing kpt #: 69 total cpu time spent up to now is 9.7 secs Computing kpt #: 70 total cpu time spent up to now is 9.8 secs Computing kpt #: 71 total cpu time spent up to now is 9.9 secs Computing kpt #: 72 total cpu time spent up to now is 10.0 secs Computing kpt #: 73 total cpu time spent up to now is 10.2 secs Computing kpt #: 74 total cpu time spent up to now is 10.3 secs Computing kpt #: 75 total cpu time spent up to now is 10.4 secs Computing kpt #: 76 total cpu time spent up to now is 10.6 secs Computing kpt #: 77 total cpu time spent up to now is 10.7 secs Computing kpt #: 78 total cpu time spent up to now is 10.8 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 11.0 secs Computing kpt #: 81 total cpu time spent up to now is 11.2 secs Computing kpt #: 82 total cpu time spent up to now is 11.3 secs Computing kpt #: 83 total cpu time spent up to now is 11.4 secs Computing kpt #: 84 total cpu time spent up to now is 11.5 secs Computing kpt #: 85 total cpu time spent up to now is 11.6 secs Computing kpt #: 86 total cpu time spent up to now is 11.8 secs Computing kpt #: 87 total cpu time spent up to now is 11.9 secs Computing kpt #: 88 total cpu time spent up to now is 12.0 secs Computing kpt #: 89 total cpu time spent up to now is 12.1 secs Computing kpt #: 90 total cpu time spent up to now is 12.2 secs Computing kpt #: 91 total cpu time spent up to now is 12.3 secs Computing kpt #: 92 total cpu time spent up to now is 12.4 secs Computing kpt #: 93 total cpu time spent up to now is 12.5 secs Computing kpt #: 94 total cpu time spent up to now is 12.6 secs Computing kpt #: 95 total cpu time spent up to now is 12.7 secs Computing kpt #: 96 total cpu time spent up to now is 12.8 secs Computing kpt #: 97 total cpu time spent up to now is 12.9 secs Computing kpt #: 98 total cpu time spent up to now is 13.0 secs Computing kpt #: 99 total cpu time spent up to now is 13.2 secs Computing kpt #: 100 total cpu time spent up to now is 13.3 secs Computing kpt #: 101 total cpu time spent up to now is 13.4 secs Computing kpt #: 102 total cpu time spent up to now is 13.5 secs Computing kpt #: 103 total cpu time spent up to now is 13.6 secs Computing kpt #: 104 total cpu time spent up to now is 13.7 secs Computing kpt #: 105 total cpu time spent up to now is 13.8 secs Computing kpt #: 106 total cpu time spent up to now is 13.9 secs Computing kpt #: 107 total cpu time spent up to now is 14.0 secs Computing kpt #: 108 total cpu time spent up to now is 14.1 secs Computing kpt #: 109 total cpu time spent up to now is 14.2 secs Computing kpt #: 110 total cpu time spent up to now is 14.3 secs Computing kpt #: 111 total cpu time spent up to now is 14.4 secs Computing kpt #: 112 total cpu time spent up to now is 14.5 secs Computing kpt #: 113 total cpu time spent up to now is 14.7 secs Computing kpt #: 114 total cpu time spent up to now is 14.8 secs Computing kpt #: 115 total cpu time spent up to now is 14.9 secs Computing kpt #: 116 total cpu time spent up to now is 15.0 secs Computing kpt #: 117 total cpu time spent up to now is 15.1 secs Computing kpt #: 118 total cpu time spent up to now is 15.2 secs Computing kpt #: 119 total cpu time spent up to now is 15.3 secs Computing kpt #: 120 total cpu time spent up to now is 15.4 secs Computing kpt #: 121 total cpu time spent up to now is 15.5 secs Computing kpt #: 122 total cpu time spent up to now is 15.6 secs Computing kpt #: 123 total cpu time spent up to now is 15.8 secs Computing kpt #: 124 total cpu time spent up to now is 15.9 secs Computing kpt #: 125 total cpu time spent up to now is 16.0 secs Computing kpt #: 126 total cpu time spent up to now is 16.1 secs Computing kpt #: 127 total cpu time spent up to now is 16.2 secs Computing kpt #: 128 total cpu time spent up to now is 16.4 secs Computing kpt #: 129 total cpu time spent up to now is 16.5 secs Computing kpt #: 130 total cpu time spent up to now is 16.6 secs Computing kpt #: 131 total cpu time spent up to now is 16.7 secs Computing kpt #: 132 total cpu time spent up to now is 16.9 secs Computing kpt #: 133 total cpu time spent up to now is 17.0 secs Computing kpt #: 134 total cpu time spent up to now is 17.2 secs Computing kpt #: 135 total cpu time spent up to now is 17.4 secs Computing kpt #: 136 total cpu time spent up to now is 17.6 secs Computing kpt #: 137 total cpu time spent up to now is 17.7 secs Computing kpt #: 138 total cpu time spent up to now is 17.9 secs Computing kpt #: 139 total cpu time spent up to now is 18.1 secs Computing kpt #: 140 total cpu time spent up to now is 18.3 secs Computing kpt #: 141 total cpu time spent up to now is 18.5 secs Computing kpt #: 142 total cpu time spent up to now is 18.7 secs Computing kpt #: 143 total cpu time spent up to now is 19.0 secs Computing kpt #: 144 total cpu time spent up to now is 19.3 secs Computing kpt #: 145 total cpu time spent up to now is 19.5 secs Computing kpt #: 146 total cpu time spent up to now is 19.7 secs Computing kpt #: 147 total cpu time spent up to now is 19.9 secs Computing kpt #: 148 total cpu time spent up to now is 20.0 secs Computing kpt #: 149 total cpu time spent up to now is 20.2 secs Computing kpt #: 150 total cpu time spent up to now is 20.4 secs Computing kpt #: 151 total cpu time spent up to now is 20.6 secs Computing kpt #: 152 total cpu time spent up to now is 20.8 secs Computing kpt #: 153 total cpu time spent up to now is 20.9 secs Computing kpt #: 154 total cpu time spent up to now is 21.1 secs Computing kpt #: 155 total cpu time spent up to now is 21.3 secs Computing kpt #: 156 total cpu time spent up to now is 21.5 secs Computing kpt #: 157 total cpu time spent up to now is 21.7 secs Computing kpt #: 158 total cpu time spent up to now is 21.9 secs Computing kpt #: 159 total cpu time spent up to now is 22.1 secs Computing kpt #: 160 total cpu time spent up to now is 22.3 secs Computing kpt #: 161 total cpu time spent up to now is 22.5 secs Computing kpt #: 162 total cpu time spent up to now is 22.8 secs Computing kpt #: 163 total cpu time spent up to now is 22.9 secs Computing kpt #: 164 total cpu time spent up to now is 23.1 secs Computing kpt #: 165 total cpu time spent up to now is 23.3 secs Computing kpt #: 166 total cpu time spent up to now is 23.5 secs Computing kpt #: 167 total cpu time spent up to now is 23.6 secs Computing kpt #: 168 total cpu time spent up to now is 23.8 secs Computing kpt #: 169 total cpu time spent up to now is 24.0 secs Computing kpt #: 170 total cpu time spent up to now is 24.1 secs Computing kpt #: 171 total cpu time spent up to now is 24.2 secs Computing kpt #: 172 total cpu time spent up to now is 24.4 secs Computing kpt #: 173 total cpu time spent up to now is 24.5 secs Computing kpt #: 174 total cpu time spent up to now is 24.6 secs Computing kpt #: 175 total cpu time spent up to now is 24.8 secs Computing kpt #: 176 total cpu time spent up to now is 24.9 secs Computing kpt #: 177 total cpu time spent up to now is 25.0 secs Computing kpt #: 178 total cpu time spent up to now is 25.2 secs Computing kpt #: 179 total cpu time spent up to now is 25.3 secs Computing kpt #: 180 total cpu time spent up to now is 25.4 secs Computing kpt #: 181 total cpu time spent up to now is 25.5 secs Computing kpt #: 182 total cpu time spent up to now is 25.6 secs Computing kpt #: 183 total cpu time spent up to now is 25.8 secs Computing kpt #: 184 total cpu time spent up to now is 25.9 secs Computing kpt #: 185 total cpu time spent up to now is 26.0 secs Computing kpt #: 186 total cpu time spent up to now is 26.1 secs Computing kpt #: 187 total cpu time spent up to now is 26.2 secs Computing kpt #: 188 total cpu time spent up to now is 26.4 secs Computing kpt #: 189 total cpu time spent up to now is 26.5 secs Computing kpt #: 190 total cpu time spent up to now is 26.6 secs Computing kpt #: 191 total cpu time spent up to now is 26.7 secs Computing kpt #: 192 total cpu time spent up to now is 26.8 secs Computing kpt #: 193 total cpu time spent up to now is 27.0 secs Computing kpt #: 194 total cpu time spent up to now is 27.1 secs Computing kpt #: 195 total cpu time spent up to now is 27.2 secs Computing kpt #: 196 total cpu time spent up to now is 27.3 secs Computing kpt #: 197 total cpu time spent up to now is 27.4 secs Computing kpt #: 198 total cpu time spent up to now is 27.6 secs Computing kpt #: 199 total cpu time spent up to now is 27.7 secs Computing kpt #: 200 total cpu time spent up to now is 27.8 secs Computing kpt #: 201 total cpu time spent up to now is 28.0 secs Computing kpt #: 202 total cpu time spent up to now is 28.1 secs Computing kpt #: 203 total cpu time spent up to now is 28.2 secs Computing kpt #: 204 total cpu time spent up to now is 28.4 secs Computing kpt #: 205 total cpu time spent up to now is 28.5 secs Computing kpt #: 206 total cpu time spent up to now is 28.6 secs Computing kpt #: 207 total cpu time spent up to now is 28.8 secs Computing kpt #: 208 total cpu time spent up to now is 28.9 secs Computing kpt #: 209 total cpu time spent up to now is 29.1 secs Computing kpt #: 210 total cpu time spent up to now is 29.2 secs Computing kpt #: 211 total cpu time spent up to now is 29.3 secs Computing kpt #: 212 total cpu time spent up to now is 29.5 secs Computing kpt #: 213 total cpu time spent up to now is 29.6 secs Computing kpt #: 214 total cpu time spent up to now is 29.8 secs Computing kpt #: 215 total cpu time spent up to now is 29.9 secs Computing kpt #: 216 total cpu time spent up to now is 30.0 secs Computing kpt #: 217 total cpu time spent up to now is 30.2 secs Computing kpt #: 218 total cpu time spent up to now is 30.3 secs Computing kpt #: 219 total cpu time spent up to now is 30.4 secs Computing kpt #: 220 total cpu time spent up to now is 30.5 secs Computing kpt #: 221 total cpu time spent up to now is 30.6 secs Computing kpt #: 222 total cpu time spent up to now is 30.7 secs Computing kpt #: 223 total cpu time spent up to now is 30.9 secs Computing kpt #: 224 total cpu time spent up to now is 31.1 secs Computing kpt #: 225 total cpu time spent up to now is 31.2 secs Computing kpt #: 226 total cpu time spent up to now is 31.3 secs Computing kpt #: 227 total cpu time spent up to now is 31.4 secs Computing kpt #: 228 total cpu time spent up to now is 31.6 secs Computing kpt #: 229 total cpu time spent up to now is 31.7 secs Computing kpt #: 230 total cpu time spent up to now is 31.8 secs Computing kpt #: 231 total cpu time spent up to now is 32.0 secs Computing kpt #: 232 total cpu time spent up to now is 32.1 secs Computing kpt #: 233 total cpu time spent up to now is 32.2 secs Computing kpt #: 234 total cpu time spent up to now is 32.3 secs Computing kpt #: 235 total cpu time spent up to now is 32.5 secs Computing kpt #: 236 total cpu time spent up to now is 32.6 secs Computing kpt #: 237 total cpu time spent up to now is 32.7 secs Computing kpt #: 238 total cpu time spent up to now is 32.8 secs Computing kpt #: 239 total cpu time spent up to now is 33.0 secs Computing kpt #: 240 total cpu time spent up to now is 33.1 secs Computing kpt #: 241 total cpu time spent up to now is 33.2 secs Computing kpt #: 242 total cpu time spent up to now is 33.3 secs Computing kpt #: 243 total cpu time spent up to now is 33.5 secs Computing kpt #: 244 total cpu time spent up to now is 33.6 secs Computing kpt #: 245 total cpu time spent up to now is 33.7 secs Computing kpt #: 246 total cpu time spent up to now is 33.8 secs Computing kpt #: 247 total cpu time spent up to now is 34.0 secs Computing kpt #: 248 total cpu time spent up to now is 34.1 secs Computing kpt #: 249 total cpu time spent up to now is 34.2 secs Computing kpt #: 250 total cpu time spent up to now is 34.4 secs Computing kpt #: 251 total cpu time spent up to now is 34.5 secs Computing kpt #: 252 total cpu time spent up to now is 34.6 secs Computing kpt #: 253 total cpu time spent up to now is 34.7 secs Computing kpt #: 254 total cpu time spent up to now is 34.9 secs Computing kpt #: 255 total cpu time spent up to now is 35.0 secs Computing kpt #: 256 total cpu time spent up to now is 35.1 secs Computing kpt #: 257 total cpu time spent up to now is 35.2 secs Computing kpt #: 258 total cpu time spent up to now is 35.4 secs Computing kpt #: 259 total cpu time spent up to now is 35.5 secs Computing kpt #: 260 total cpu time spent up to now is 35.6 secs Computing kpt #: 261 total cpu time spent up to now is 35.8 secs Computing kpt #: 262 total cpu time spent up to now is 35.9 secs Computing kpt #: 263 total cpu time spent up to now is 36.0 secs Computing kpt #: 264 total cpu time spent up to now is 36.1 secs Computing kpt #: 265 total cpu time spent up to now is 36.3 secs Computing kpt #: 266 total cpu time spent up to now is 36.4 secs Computing kpt #: 267 total cpu time spent up to now is 36.5 secs Computing kpt #: 268 total cpu time spent up to now is 36.7 secs Computing kpt #: 269 total cpu time spent up to now is 36.8 secs Computing kpt #: 270 total cpu time spent up to now is 36.9 secs Computing kpt #: 271 total cpu time spent up to now is 37.1 secs Computing kpt #: 272 total cpu time spent up to now is 37.2 secs Computing kpt #: 273 total cpu time spent up to now is 37.3 secs Computing kpt #: 274 total cpu time spent up to now is 37.4 secs Computing kpt #: 275 total cpu time spent up to now is 37.6 secs Computing kpt #: 276 total cpu time spent up to now is 37.7 secs Computing kpt #: 277 total cpu time spent up to now is 37.8 secs Computing kpt #: 278 total cpu time spent up to now is 38.0 secs Computing kpt #: 279 total cpu time spent up to now is 38.1 secs Computing kpt #: 280 total cpu time spent up to now is 38.3 secs Computing kpt #: 281 total cpu time spent up to now is 38.4 secs Computing kpt #: 282 total cpu time spent up to now is 38.5 secs Computing kpt #: 283 total cpu time spent up to now is 38.7 secs Computing kpt #: 284 total cpu time spent up to now is 38.8 secs Computing kpt #: 285 total cpu time spent up to now is 39.0 secs Computing kpt #: 286 total cpu time spent up to now is 39.2 secs Computing kpt #: 287 total cpu time spent up to now is 39.3 secs Computing kpt #: 288 total cpu time spent up to now is 39.5 secs Computing kpt #: 289 total cpu time spent up to now is 39.7 secs Computing kpt #: 290 total cpu time spent up to now is 39.9 secs Computing kpt #: 291 total cpu time spent up to now is 40.1 secs Computing kpt #: 292 total cpu time spent up to now is 40.3 secs Computing kpt #: 293 total cpu time spent up to now is 40.5 secs Computing kpt #: 294 total cpu time spent up to now is 40.7 secs Computing kpt #: 295 total cpu time spent up to now is 40.9 secs Computing kpt #: 296 total cpu time spent up to now is 41.0 secs Computing kpt #: 297 total cpu time spent up to now is 41.2 secs Computing kpt #: 298 total cpu time spent up to now is 41.5 secs Computing kpt #: 299 total cpu time spent up to now is 41.6 secs Computing kpt #: 300 total cpu time spent up to now is 41.7 secs Computing kpt #: 301 total cpu time spent up to now is 41.9 secs Computing kpt #: 302 total cpu time spent up to now is 42.1 secs Computing kpt #: 303 total cpu time spent up to now is 42.2 secs Computing kpt #: 304 total cpu time spent up to now is 42.4 secs Computing kpt #: 305 total cpu time spent up to now is 42.5 secs Computing kpt #: 306 total cpu time spent up to now is 42.7 secs Computing kpt #: 307 total cpu time spent up to now is 42.8 secs Computing kpt #: 308 total cpu time spent up to now is 42.9 secs Computing kpt #: 309 total cpu time spent up to now is 43.1 secs Computing kpt #: 310 total cpu time spent up to now is 43.2 secs Computing kpt #: 311 total cpu time spent up to now is 43.3 secs Computing kpt #: 312 total cpu time spent up to now is 43.4 secs Computing kpt #: 313 total cpu time spent up to now is 43.6 secs Computing kpt #: 314 total cpu time spent up to now is 43.7 secs Computing kpt #: 315 total cpu time spent up to now is 43.8 secs Computing kpt #: 316 total cpu time spent up to now is 43.9 secs Computing kpt #: 317 total cpu time spent up to now is 44.1 secs Computing kpt #: 318 total cpu time spent up to now is 44.2 secs Computing kpt #: 319 total cpu time spent up to now is 44.3 secs Computing kpt #: 320 total cpu time spent up to now is 44.4 secs Computing kpt #: 321 total cpu time spent up to now is 44.6 secs Computing kpt #: 322 total cpu time spent up to now is 44.7 secs Computing kpt #: 323 total cpu time spent up to now is 44.8 secs Computing kpt #: 324 total cpu time spent up to now is 44.9 secs Computing kpt #: 325 total cpu time spent up to now is 45.1 secs Computing kpt #: 326 total cpu time spent up to now is 45.2 secs Computing kpt #: 327 total cpu time spent up to now is 45.3 secs Computing kpt #: 328 total cpu time spent up to now is 45.4 secs Computing kpt #: 329 total cpu time spent up to now is 45.6 secs Computing kpt #: 330 total cpu time spent up to now is 45.7 secs Computing kpt #: 331 total cpu time spent up to now is 45.8 secs Computing kpt #: 332 total cpu time spent up to now is 45.9 secs Computing kpt #: 333 total cpu time spent up to now is 46.1 secs Computing kpt #: 334 total cpu time spent up to now is 46.2 secs Computing kpt #: 335 total cpu time spent up to now is 46.3 secs Computing kpt #: 336 total cpu time spent up to now is 46.4 secs Computing kpt #: 337 total cpu time spent up to now is 46.6 secs Computing kpt #: 338 total cpu time spent up to now is 46.7 secs Computing kpt #: 339 total cpu time spent up to now is 46.8 secs Computing kpt #: 340 total cpu time spent up to now is 46.9 secs Computing kpt #: 341 total cpu time spent up to now is 47.1 secs Computing kpt #: 342 total cpu time spent up to now is 47.2 secs Computing kpt #: 343 total cpu time spent up to now is 47.3 secs Computing kpt #: 344 total cpu time spent up to now is 47.4 secs Computing kpt #: 345 total cpu time spent up to now is 47.5 secs Computing kpt #: 346 total cpu time spent up to now is 47.7 secs Computing kpt #: 347 total cpu time spent up to now is 47.8 secs Computing kpt #: 348 total cpu time spent up to now is 47.9 secs Computing kpt #: 349 total cpu time spent up to now is 48.0 secs Computing kpt #: 350 total cpu time spent up to now is 48.2 secs Computing kpt #: 351 total cpu time spent up to now is 48.3 secs Computing kpt #: 352 total cpu time spent up to now is 48.4 secs Computing kpt #: 353 total cpu time spent up to now is 48.5 secs ethr = 5.56E-08, avg # of iterations = 15.2 total cpu time spent up to now is 48.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4735 PWs) bands (ev): -51.5158 -51.5158 -51.5141 -51.5141 -23.5596 -23.5596 -23.5450 -23.5450 -23.3885 -23.3885 -23.3709 -23.3709 -23.3663 -23.3663 -23.3661 -23.3661 -1.7560 -1.7560 2.0290 2.0290 2.4177 2.4177 11.3614 11.3614 11.3633 11.3633 k = 0.0102 0.0059-0.0000 ( 4735 PWs) bands (ev): -51.5158 -51.5158 -51.5141 -51.5141 -23.5596 -23.5596 -23.5451 -23.5451 -23.3885 -23.3885 -23.3709 -23.3709 -23.3664 -23.3664 -23.3661 -23.3661 -1.7544 -1.7544 2.0303 2.0303 2.4192 2.4192 11.2753 11.2753 11.3245 11.3245 k = 0.0204 0.0118-0.0000 ( 4733 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5596 -23.5596 -23.5451 -23.5451 -23.3885 -23.3885 -23.3710 -23.3710 -23.3664 -23.3664 -23.3662 -23.3662 -1.7499 -1.7499 2.0344 2.0344 2.4237 2.4237 11.0951 11.0951 11.2404 11.2404 k = 0.0306 0.0177-0.0000 ( 4725 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5596 -23.5596 -23.5451 -23.5451 -23.3885 -23.3885 -23.3710 -23.3710 -23.3664 -23.3664 -23.3662 -23.3662 -1.7423 -1.7423 2.0412 2.0412 2.4311 2.4311 10.8851 10.8851 11.1406 11.1406 k = 0.0408 0.0236-0.0000 ( 4716 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5596 -23.5596 -23.5452 -23.5452 -23.3884 -23.3884 -23.3711 -23.3711 -23.3665 -23.3665 -23.3662 -23.3662 -1.7317 -1.7317 2.0506 2.0506 2.4415 2.4415 10.6629 10.6629 11.0362 11.0362 k = 0.0510 0.0295-0.0000 ( 4720 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5597 -23.5597 -23.5453 -23.5453 -23.3884 -23.3884 -23.3712 -23.3712 -23.3667 -23.3667 -23.3663 -23.3663 -1.7180 -1.7180 2.0628 2.0628 2.4549 2.4549 10.4346 10.4346 10.9308 10.9308 k = 0.0612 0.0353-0.0000 ( 4724 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5597 -23.5597 -23.5454 -23.5454 -23.3885 -23.3885 -23.3714 -23.3714 -23.3669 -23.3669 -23.3663 -23.3663 -1.7013 -1.7013 2.0777 2.0777 2.4712 2.4712 10.2031 10.2031 10.8259 10.8259 k = 0.0714 0.0412-0.0000 ( 4716 PWs) bands (ev): -51.5156 -51.5156 -51.5141 -51.5141 -23.5598 -23.5598 -23.5455 -23.5455 -23.3885 -23.3885 -23.3716 -23.3716 -23.3671 -23.3671 -23.3663 -23.3663 -1.6815 -1.6815 2.0953 2.0953 2.4904 2.4904 9.9702 9.9702 10.7225 10.7225 k = 0.0816 0.0471-0.0000 ( 4720 PWs) bands (ev): -51.5156 -51.5156 -51.5141 -51.5141 -23.5599 -23.5599 -23.5457 -23.5457 -23.3885 -23.3885 -23.3718 -23.3718 -23.3674 -23.3674 -23.3664 -23.3664 -1.6588 -1.6588 2.1157 2.1157 2.5126 2.5126 9.7369 9.7369 10.6207 10.6207 k = 0.0918 0.0530-0.0000 ( 4728 PWs) bands (ev): -51.5156 -51.5156 -51.5141 -51.5141 -23.5600 -23.5600 -23.5460 -23.5460 -23.3885 -23.3885 -23.3721 -23.3721 -23.3678 -23.3678 -23.3665 -23.3665 -1.6330 -1.6330 2.1387 2.1387 2.5378 2.5378 9.5038 9.5038 10.5209 10.5209 k = 0.1020 0.0589-0.0000 ( 4728 PWs) bands (ev): -51.5156 -51.5156 -51.5141 -51.5141 -23.5600 -23.5600 -23.5462 -23.5462 -23.3885 -23.3885 -23.3723 -23.3723 -23.3681 -23.3681 -23.3666 -23.3666 -1.6042 -1.6042 2.1644 2.1644 2.5658 2.5658 9.2716 9.2716 10.4232 10.4232 k = 0.1122 0.0648-0.0000 ( 4728 PWs) bands (ev): -51.5156 -51.5156 -51.5141 -51.5141 -23.5601 -23.5601 -23.5465 -23.5465 -23.3885 -23.3885 -23.3726 -23.3726 -23.3685 -23.3685 -23.3667 -23.3667 -1.5724 -1.5724 2.1929 2.1929 2.5967 2.5967 9.0406 9.0406 10.3277 10.3277 k = 0.1224 0.0707-0.0000 ( 4724 PWs) bands (ev): -51.5155 -51.5155 -51.5140 -51.5140 -23.5602 -23.5602 -23.5467 -23.5467 -23.3885 -23.3885 -23.3729 -23.3729 -23.3689 -23.3689 -23.3668 -23.3668 -1.5376 -1.5376 2.2241 2.2241 2.6305 2.6305 8.8110 8.8110 10.2346 10.2346 k = 0.1327 0.0766-0.0000 ( 4726 PWs) bands (ev): -51.5155 -51.5155 -51.5140 -51.5140 -23.5603 -23.5603 -23.5470 -23.5470 -23.3884 -23.3884 -23.3733 -23.3733 -23.3694 -23.3694 -23.3669 -23.3669 -1.4998 -1.4998 2.2580 2.2580 2.6671 2.6671 8.5831 8.5831 10.1437 10.1437 k = 0.1429 0.0825-0.0000 ( 4722 PWs) bands (ev): -51.5155 -51.5155 -51.5140 -51.5140 -23.5604 -23.5604 -23.5473 -23.5473 -23.3884 -23.3884 -23.3736 -23.3736 -23.3699 -23.3699 -23.3670 -23.3670 -1.4590 -1.4590 2.2946 2.2946 2.7065 2.7065 8.3571 8.3571 10.0553 10.0553 k = 0.1531 0.0884-0.0000 ( 4722 PWs) bands (ev): -51.5154 -51.5154 -51.5140 -51.5140 -23.5605 -23.5605 -23.5476 -23.5476 -23.3884 -23.3884 -23.3740 -23.3740 -23.3704 -23.3704 -23.3671 -23.3671 -1.4151 -1.4151 2.3339 2.3339 2.7488 2.7488 8.1331 8.1331 9.9692 9.9692 k = 0.1633 0.0943-0.0000 ( 4724 PWs) bands (ev): -51.5154 -51.5154 -51.5140 -51.5140 -23.5606 -23.5606 -23.5480 -23.5480 -23.3884 -23.3884 -23.3743 -23.3743 -23.3709 -23.3709 -23.3673 -23.3673 -1.3684 -1.3684 2.3760 2.3760 2.7937 2.7937 7.9111 7.9111 9.8856 9.8856 k = 0.1735 0.1002-0.0000 ( 4716 PWs) bands (ev): -51.5153 -51.5153 -51.5139 -51.5139 -23.5607 -23.5607 -23.5483 -23.5483 -23.3884 -23.3884 -23.3747 -23.3747 -23.3714 -23.3714 -23.3674 -23.3674 -1.3186 -1.3186 2.4208 2.4208 2.8414 2.8414 7.6915 7.6915 9.8045 9.8045 k = 0.1837 0.1060-0.0000 ( 4722 PWs) bands (ev): -51.5153 -51.5153 -51.5139 -51.5139 -23.5608 -23.5608 -23.5487 -23.5487 -23.3884 -23.3884 -23.3750 -23.3750 -23.3721 -23.3721 -23.3676 -23.3676 -1.2659 -1.2659 2.4683 2.4683 2.8917 2.8917 7.4741 7.4741 9.7258 9.7258 k = 0.1939 0.1119-0.0000 ( 4722 PWs) bands (ev): -51.5153 -51.5153 -51.5139 -51.5139 -23.5609 -23.5609 -23.5491 -23.5491 -23.3884 -23.3884 -23.3754 -23.3754 -23.3727 -23.3727 -23.3677 -23.3677 -1.2102 -1.2102 2.5186 2.5186 2.9447 2.9447 7.2592 7.2592 9.6495 9.6495 k = 0.2041 0.1178-0.0000 ( 4730 PWs) bands (ev): -51.5152 -51.5152 -51.5139 -51.5139 -23.5611 -23.5611 -23.5495 -23.5495 -23.3884 -23.3884 -23.3758 -23.3758 -23.3733 -23.3733 -23.3679 -23.3679 -1.1516 -1.1516 2.5715 2.5715 3.0001 3.0001 7.0469 7.0469 9.5758 9.5758 k = 0.2143 0.1237-0.0000 ( 4730 PWs) bands (ev): -51.5152 -51.5152 -51.5139 -51.5139 -23.5612 -23.5612 -23.5499 -23.5499 -23.3884 -23.3884 -23.3762 -23.3762 -23.3739 -23.3739 -23.3681 -23.3681 -1.0900 -1.0900 2.6272 2.6272 3.0580 3.0580 6.8372 6.8372 9.5045 9.5045 k = 0.2245 0.1296-0.0000 ( 4722 PWs) bands (ev): -51.5151 -51.5151 -51.5138 -51.5138 -23.5613 -23.5613 -23.5504 -23.5504 -23.3883 -23.3883 -23.3766 -23.3766 -23.3745 -23.3745 -23.3683 -23.3683 -1.0255 -1.0255 2.6857 2.6857 3.1181 3.1181 6.6302 6.6302 9.3946 9.3946 k = 0.2347 0.1355-0.0000 ( 4724 PWs) bands (ev): -51.5151 -51.5151 -51.5138 -51.5138 -23.5614 -23.5614 -23.5508 -23.5508 -23.3883 -23.3883 -23.3769 -23.3769 -23.3752 -23.3752 -23.3684 -23.3684 -0.9581 -0.9581 2.7469 2.7469 3.1805 3.1805 6.4262 6.4262 9.2755 9.2755 k = 0.2449 0.1414-0.0000 ( 4708 PWs) bands (ev): -51.5150 -51.5150 -51.5138 -51.5138 -23.5615 -23.5615 -23.5512 -23.5512 -23.3883 -23.3883 -23.3773 -23.3773 -23.3757 -23.3757 -23.3686 -23.3686 -0.8878 -0.8878 2.8108 2.8108 3.2448 3.2448 6.2253 6.2253 9.1556 9.1556 k = 0.2551 0.1473-0.0000 ( 4712 PWs) bands (ev): -51.5150 -51.5150 -51.5138 -51.5138 -23.5617 -23.5617 -23.5516 -23.5516 -23.3883 -23.3883 -23.3777 -23.3777 -23.3764 -23.3764 -23.3688 -23.3688 -0.8146 -0.8146 2.8775 2.8775 3.3109 3.3109 6.0278 6.0278 9.0347 9.0347 k = 0.2653 0.1532-0.0000 ( 4722 PWs) bands (ev): -51.5149 -51.5149 -51.5138 -51.5138 -23.5618 -23.5618 -23.5521 -23.5521 -23.3883 -23.3883 -23.3780 -23.3780 -23.3771 -23.3771 -23.3690 -23.3690 -0.7385 -0.7385 2.9469 2.9469 3.3783 3.3783 5.8340 5.8340 8.9126 8.9126 k = 0.2755 0.1591-0.0000 ( 4726 PWs) bands (ev): -51.5149 -51.5149 -51.5138 -51.5138 -23.5619 -23.5619 -23.5526 -23.5526 -23.3883 -23.3883 -23.3783 -23.3783 -23.3777 -23.3777 -23.3692 -23.3692 -0.6595 -0.6595 3.0191 3.0191 3.4466 3.4466 5.6444 5.6444 8.7892 8.7892 k = 0.2857 0.1650-0.0000 ( 4730 PWs) bands (ev): -51.5148 -51.5148 -51.5137 -51.5137 -23.5620 -23.5620 -23.5531 -23.5531 -23.3883 -23.3883 -23.3787 -23.3787 -23.3784 -23.3784 -23.3694 -23.3694 -0.5776 -0.5776 3.0940 3.0940 3.5150 3.5150 5.4598 5.4598 8.6644 8.6644 k = 0.2959 0.1708-0.0000 ( 4726 PWs) bands (ev): -51.5148 -51.5148 -51.5137 -51.5137 -23.5621 -23.5621 -23.5535 -23.5535 -23.3883 -23.3883 -23.3791 -23.3791 -23.3788 -23.3788 -23.3696 -23.3696 -0.4930 -0.4930 3.1717 3.1717 3.5824 3.5824 5.2813 5.2813 8.5382 8.5382 k = 0.3061 0.1767-0.0000 ( 4734 PWs) bands (ev): -51.5148 -51.5148 -51.5137 -51.5137 -23.5622 -23.5622 -23.5540 -23.5540 -23.3883 -23.3883 -23.3797 -23.3797 -23.3792 -23.3792 -23.3699 -23.3699 -0.4054 -0.4054 3.2522 3.2522 3.6467 3.6467 5.1109 5.1109 8.3783 8.3783 k = 0.3163 0.1826-0.0000 ( 4734 PWs) bands (ev): -51.5147 -51.5147 -51.5137 -51.5137 -23.5624 -23.5624 -23.5545 -23.5545 -23.3884 -23.3884 -23.3803 -23.3803 -23.3794 -23.3794 -23.3701 -23.3701 -0.3151 -0.3151 3.3354 3.3354 3.7050 3.7050 4.9515 4.9515 8.1916 8.1916 k = 0.3265 0.1885-0.0000 ( 4726 PWs) bands (ev): -51.5146 -51.5146 -51.5137 -51.5137 -23.5624 -23.5624 -23.5549 -23.5549 -23.3884 -23.3884 -23.3809 -23.3809 -23.3796 -23.3796 -23.3702 -23.3702 -0.2219 -0.2219 3.4214 3.4214 3.7516 3.7516 4.8088 4.8088 8.0076 8.0076 k = 0.3367 0.1944-0.0000 ( 4726 PWs) bands (ev): -51.5146 -51.5146 -51.5136 -51.5136 -23.5625 -23.5625 -23.5553 -23.5553 -23.3884 -23.3884 -23.3815 -23.3815 -23.3798 -23.3798 -23.3704 -23.3704 -0.1260 -0.1260 3.5101 3.5101 3.7777 3.7777 4.6916 4.6916 7.8264 7.8264 k = 0.3469 0.2003-0.0000 ( 4734 PWs) bands (ev): -51.5146 -51.5146 -51.5136 -51.5136 -23.5626 -23.5626 -23.5557 -23.5557 -23.3884 -23.3884 -23.3821 -23.3821 -23.3800 -23.3800 -23.3707 -23.3707 -0.0273 -0.0273 3.6016 3.6016 3.7714 3.7714 4.6118 4.6118 7.6480 7.6480 k = 0.3571 0.2062-0.0000 ( 4738 PWs) bands (ev): -51.5145 -51.5145 -51.5136 -51.5136 -23.5627 -23.5627 -23.5562 -23.5562 -23.3885 -23.3885 -23.3826 -23.3826 -23.3802 -23.3802 -23.3709 -23.3709 0.0742 0.0742 3.6957 3.6957 3.7238 3.7238 4.5784 4.5784 7.4724 7.4724 k = 0.3673 0.2121-0.0000 ( 4734 PWs) bands (ev): -51.5145 -51.5145 -51.5136 -51.5136 -23.5628 -23.5628 -23.5566 -23.5566 -23.3885 -23.3885 -23.3832 -23.3832 -23.3803 -23.3803 -23.3711 -23.3711 0.1784 0.1784 3.6361 3.6361 3.7931 3.7931 4.5894 4.5894 7.2996 7.2996 k = 0.3776 0.2180-0.0000 ( 4732 PWs) bands (ev): -51.5144 -51.5144 -51.5136 -51.5136 -23.5628 -23.5628 -23.5569 -23.5569 -23.3885 -23.3885 -23.3837 -23.3837 -23.3804 -23.3804 -23.3712 -23.3712 0.2854 0.2854 3.5203 3.5203 3.8929 3.8929 4.6337 4.6337 7.1296 7.1296 k = 0.3878 0.2239-0.0000 ( 4732 PWs) bands (ev): -51.5144 -51.5144 -51.5136 -51.5136 -23.5629 -23.5629 -23.5573 -23.5573 -23.3885 -23.3885 -23.3841 -23.3841 -23.3805 -23.3805 -23.3714 -23.3714 0.3950 0.3950 3.3873 3.3873 3.9955 3.9955 4.6999 4.6999 6.9624 6.9624 k = 0.3980 0.2298-0.0000 ( 4736 PWs) bands (ev): -51.5144 -51.5144 -51.5136 -51.5136 -23.5629 -23.5629 -23.5576 -23.5576 -23.3885 -23.3885 -23.3846 -23.3846 -23.3806 -23.3806 -23.3715 -23.3715 0.5074 0.5074 3.2448 3.2448 4.1009 4.1009 4.7804 4.7804 6.7981 6.7981 k = 0.4082 0.2357-0.0000 ( 4736 PWs) bands (ev): -51.5143 -51.5143 -51.5136 -51.5136 -23.5630 -23.5630 -23.5579 -23.5579 -23.3886 -23.3886 -23.3850 -23.3850 -23.3807 -23.3807 -23.3717 -23.3717 0.6223 0.6223 3.0974 3.0974 4.2091 4.2091 4.8706 4.8706 6.6365 6.6365 k = 0.4184 0.2415-0.0000 ( 4728 PWs) bands (ev): -51.5143 -51.5143 -51.5136 -51.5136 -23.5630 -23.5630 -23.5582 -23.5582 -23.3885 -23.3885 -23.3854 -23.3854 -23.3807 -23.3807 -23.3718 -23.3718 0.7400 0.7400 2.9477 2.9477 4.3201 4.3201 4.9676 4.9676 6.4777 6.4777 k = 0.4286 0.2474-0.0000 ( 4730 PWs) bands (ev): -51.5143 -51.5143 -51.5136 -51.5136 -23.5630 -23.5630 -23.5585 -23.5585 -23.3885 -23.3885 -23.3858 -23.3858 -23.3808 -23.3808 -23.3719 -23.3719 0.8602 0.8602 2.7974 2.7974 4.4339 4.4339 5.0697 5.0697 6.3218 6.3218 k = 0.4388 0.2533-0.0000 ( 4732 PWs) bands (ev): -51.5142 -51.5142 -51.5136 -51.5136 -23.5630 -23.5630 -23.5587 -23.5587 -23.3885 -23.3885 -23.3862 -23.3862 -23.3808 -23.3808 -23.3720 -23.3720 0.9829 0.9829 2.6474 2.6474 4.5505 4.5505 5.1759 5.1759 6.1686 6.1686 k = 0.4490 0.2592-0.0000 ( 4728 PWs) bands (ev): -51.5142 -51.5142 -51.5136 -51.5136 -23.5630 -23.5630 -23.5589 -23.5589 -23.3885 -23.3885 -23.3865 -23.3865 -23.3808 -23.3808 -23.3721 -23.3721 1.1081 1.1081 2.4984 2.4984 4.6699 4.6699 5.2852 5.2852 6.0183 6.0183 k = 0.4592 0.2651-0.0000 ( 4728 PWs) bands (ev): -51.5142 -51.5142 -51.5136 -51.5136 -23.5630 -23.5630 -23.5591 -23.5591 -23.3884 -23.3884 -23.3868 -23.3868 -23.3808 -23.3808 -23.3722 -23.3722 1.2357 1.2357 2.3510 2.3510 4.7921 4.7921 5.3968 5.3968 5.8708 5.8708 k = 0.4694 0.2710-0.0000 ( 4722 PWs) bands (ev): -51.5142 -51.5142 -51.5136 -51.5136 -23.5630 -23.5630 -23.5592 -23.5592 -23.3883 -23.3883 -23.3870 -23.3870 -23.3808 -23.3808 -23.3722 -23.3722 1.3655 1.3655 2.2056 2.2056 4.9171 4.9171 5.5095 5.5095 5.7262 5.7262 k = 0.4796 0.2769-0.0000 ( 4728 PWs) bands (ev): -51.5142 -51.5142 -51.5136 -51.5136 -23.5630 -23.5630 -23.5593 -23.5593 -23.3882 -23.3882 -23.3873 -23.3873 -23.3809 -23.3809 -23.3723 -23.3723 1.4968 1.4968 2.0630 2.0630 5.0449 5.0449 5.5842 5.5842 5.6207 5.6207 k = 0.4898 0.2828-0.0000 ( 4730 PWs) bands (ev): -51.5142 -51.5142 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3881 -23.3881 -23.3874 -23.3874 -23.3809 -23.3809 -23.3724 -23.3724 1.6274 1.6274 1.9256 1.9256 5.1755 5.1755 5.4452 5.4452 5.7220 5.7220 k = 0.5000 0.2887-0.0000 ( 4730 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3881 -23.3881 -23.3875 -23.3875 -23.3809 -23.3809 -23.3724 -23.3724 1.7213 1.7213 1.8294 1.8294 5.3059 5.3059 5.3121 5.3121 5.7747 5.7747 k = 0.5000 0.2887-0.0000 ( 4730 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3881 -23.3881 -23.3875 -23.3875 -23.3809 -23.3809 -23.3724 -23.3724 1.7213 1.7213 1.8294 1.8294 5.3059 5.3059 5.3121 5.3121 5.7747 5.7747 k = 0.4940 0.2990-0.0000 ( 4726 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3881 -23.3881 -23.3875 -23.3875 -23.3809 -23.3809 -23.3723 -23.3723 1.7227 1.7227 1.8309 1.8309 5.3073 5.3073 5.3134 5.3134 5.7760 5.7760 k = 0.4881 0.3093-0.0000 ( 4720 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3880 -23.3880 -23.3874 -23.3874 -23.3808 -23.3808 -23.3724 -23.3724 1.7270 1.7270 1.8354 1.8354 5.3117 5.3117 5.3175 5.3175 5.7799 5.7799 k = 0.4821 0.3196-0.0000 ( 4718 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5629 -23.5629 -23.5594 -23.5594 -23.3880 -23.3880 -23.3874 -23.3874 -23.3809 -23.3809 -23.3725 -23.3725 1.7341 1.7341 1.8428 1.8428 5.3189 5.3189 5.3243 5.3243 5.7865 5.7865 k = 0.4762 0.3299-0.0000 ( 4722 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3879 -23.3879 -23.3874 -23.3874 -23.3810 -23.3810 -23.3726 -23.3726 1.7440 1.7440 1.8532 1.8532 5.3291 5.3291 5.3338 5.3338 5.7956 5.7956 k = 0.4702 0.3402-0.0000 ( 4724 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5595 -23.5595 -23.3879 -23.3879 -23.3874 -23.3874 -23.3811 -23.3811 -23.3727 -23.3727 1.7568 1.7568 1.8665 1.8665 5.3422 5.3422 5.3461 5.3461 5.8074 5.8074 k = 0.4643 0.3505-0.0000 ( 4724 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5595 -23.5595 -23.3878 -23.3878 -23.3874 -23.3874 -23.3812 -23.3812 -23.3729 -23.3729 1.7724 1.7724 1.8828 1.8828 5.3581 5.3581 5.3610 5.3610 5.8217 5.8217 k = 0.4583 0.3608-0.0000 ( 4724 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5596 -23.5596 -23.3877 -23.3877 -23.3874 -23.3874 -23.3813 -23.3813 -23.3730 -23.3730 1.7909 1.7909 1.9020 1.9020 5.3770 5.3770 5.3787 5.3787 5.8386 5.8386 k = 0.4524 0.3712-0.0000 ( 4722 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5596 -23.5596 -23.3876 -23.3876 -23.3873 -23.3873 -23.3814 -23.3814 -23.3732 -23.3732 1.8121 1.8121 1.9242 1.9242 5.3988 5.3988 5.3991 5.3991 5.8176 5.8176 k = 0.4464 0.3815-0.0000 ( 4726 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5597 -23.5597 -23.3875 -23.3875 -23.3873 -23.3873 -23.3815 -23.3815 -23.3735 -23.3735 1.8363 1.8363 1.9493 1.9493 5.4223 5.4223 5.4234 5.4234 5.7459 5.7459 k = 0.4405 0.3918-0.0000 ( 4726 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5598 -23.5598 -23.3875 -23.3875 -23.3872 -23.3872 -23.3817 -23.3817 -23.3738 -23.3738 1.8632 1.8632 1.9774 1.9774 5.4481 5.4481 5.4510 5.4510 5.6584 5.6584 k = 0.4345 0.4021-0.0000 ( 4730 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5599 -23.5599 -23.3874 -23.3874 -23.3871 -23.3871 -23.3818 -23.3818 -23.3741 -23.3741 1.8930 1.8930 2.0083 2.0083 5.4767 5.4767 5.4815 5.4815 5.5552 5.5552 k = 0.4286 0.4124-0.0000 ( 4722 PWs) bands (ev): -51.5140 -51.5140 -51.5136 -51.5136 -23.5629 -23.5629 -23.5600 -23.5600 -23.3873 -23.3873 -23.3870 -23.3870 -23.3819 -23.3819 -23.3744 -23.3744 1.9256 1.9256 2.0422 2.0422 5.4371 5.4371 5.5081 5.5081 5.5149 5.5149 k = 0.4226 0.4227-0.0000 ( 4718 PWs) bands (ev): -51.5140 -51.5140 -51.5136 -51.5136 -23.5629 -23.5629 -23.5600 -23.5600 -23.3873 -23.3873 -23.3868 -23.3868 -23.3820 -23.3820 -23.3747 -23.3747 1.9610 1.9610 2.0790 2.0790 5.3066 5.3066 5.5421 5.5421 5.5511 5.5511 k = 0.4167 0.4330-0.0000 ( 4714 PWs) bands (ev): -51.5140 -51.5140 -51.5136 -51.5136 -23.5628 -23.5628 -23.5601 -23.5601 -23.3872 -23.3872 -23.3867 -23.3867 -23.3821 -23.3821 -23.3750 -23.3750 1.9993 1.9993 2.1186 2.1186 5.1657 5.1657 5.5789 5.5789 5.5903 5.5903 k = 0.4107 0.4433-0.0000 ( 4714 PWs) bands (ev): -51.5140 -51.5140 -51.5136 -51.5136 -23.5628 -23.5628 -23.5603 -23.5603 -23.3872 -23.3872 -23.3865 -23.3865 -23.3823 -23.3823 -23.3754 -23.3754 2.0403 2.0403 2.1611 2.1611 5.0166 5.0166 5.6184 5.6184 5.6324 5.6324 k = 0.4048 0.4536-0.0000 ( 4712 PWs) bands (ev): -51.5140 -51.5140 -51.5136 -51.5136 -23.5628 -23.5628 -23.5604 -23.5604 -23.3872 -23.3872 -23.3864 -23.3864 -23.3823 -23.3823 -23.3757 -23.3757 2.0842 2.0842 2.2065 2.2065 4.8614 4.8614 5.6606 5.6606 5.6773 5.6773 k = 0.3988 0.4639-0.0000 ( 4712 PWs) bands (ev): -51.5139 -51.5139 -51.5136 -51.5136 -23.5627 -23.5627 -23.5605 -23.5605 -23.3871 -23.3871 -23.3863 -23.3863 -23.3824 -23.3824 -23.3761 -23.3761 2.1309 2.1309 2.2546 2.2546 4.7018 4.7018 5.7056 5.7056 5.7252 5.7252 k = 0.3929 0.4743-0.0000 ( 4716 PWs) bands (ev): -51.5139 -51.5139 -51.5136 -51.5136 -23.5627 -23.5627 -23.5606 -23.5606 -23.3871 -23.3871 -23.3862 -23.3862 -23.3824 -23.3824 -23.3765 -23.3765 2.1803 2.1803 2.3056 2.3056 4.5393 4.5393 5.7533 5.7533 5.7759 5.7759 k = 0.3869 0.4846-0.0000 ( 4712 PWs) bands (ev): -51.5139 -51.5139 -51.5136 -51.5136 -23.5627 -23.5627 -23.5607 -23.5607 -23.3871 -23.3871 -23.3861 -23.3861 -23.3824 -23.3824 -23.3769 -23.3769 2.2326 2.2326 2.3594 2.3594 4.3749 4.3749 5.8038 5.8038 5.8296 5.8296 k = 0.3810 0.4949-0.0000 ( 4714 PWs) bands (ev): -51.5139 -51.5139 -51.5136 -51.5136 -23.5626 -23.5626 -23.5609 -23.5609 -23.3871 -23.3871 -23.3860 -23.3860 -23.3823 -23.3823 -23.3773 -23.3773 2.2876 2.2876 2.4159 2.4159 4.2094 4.2094 5.8570 5.8570 5.8861 5.8861 k = 0.3750 0.5052-0.0000 ( 4712 PWs) bands (ev): -51.5139 -51.5139 -51.5136 -51.5136 -23.5625 -23.5625 -23.5611 -23.5611 -23.3871 -23.3871 -23.3859 -23.3859 -23.3822 -23.3822 -23.3777 -23.3777 2.3453 2.3453 2.4751 2.4751 4.0437 4.0437 5.9130 5.9130 5.9455 5.9455 k = 0.3690 0.5155-0.0000 ( 4708 PWs) bands (ev): -51.5138 -51.5138 -51.5136 -51.5136 -23.5625 -23.5625 -23.5612 -23.5612 -23.3870 -23.3870 -23.3859 -23.3859 -23.3821 -23.3821 -23.3781 -23.3781 2.4057 2.4057 2.5370 2.5370 3.8784 3.8784 5.9717 5.9717 6.0077 6.0077 k = 0.3631 0.5258-0.0000 ( 4695 PWs) bands (ev): -51.5138 -51.5138 -51.5136 -51.5136 -23.5624 -23.5624 -23.5612 -23.5612 -23.3870 -23.3870 -23.3859 -23.3859 -23.3819 -23.3819 -23.3784 -23.3784 2.4686 2.4686 2.6016 2.6016 3.7139 3.7139 6.0331 6.0331 6.0728 6.0728 k = 0.3571 0.5361-0.0000 ( 4699 PWs) bands (ev): -51.5138 -51.5138 -51.5136 -51.5136 -23.5623 -23.5623 -23.5614 -23.5614 -23.3870 -23.3870 -23.3859 -23.3859 -23.3817 -23.3817 -23.3787 -23.3787 2.5339 2.5339 2.6687 2.6687 3.5508 3.5508 6.0973 6.0973 6.1406 6.1406 k = 0.3512 0.5464-0.0000 ( 4703 PWs) bands (ev): -51.5138 -51.5138 -51.5137 -51.5137 -23.5622 -23.5622 -23.5615 -23.5615 -23.3870 -23.3870 -23.3859 -23.3859 -23.3815 -23.3815 -23.3791 -23.3791 2.6012 2.6012 2.7384 2.7384 3.3898 3.3898 6.1643 6.1643 6.2110 6.2110 k = 0.3452 0.5567-0.0000 ( 4705 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5622 -23.5622 -23.5617 -23.5617 -23.3870 -23.3870 -23.3860 -23.3860 -23.3813 -23.3813 -23.3794 -23.3794 2.6693 2.6693 2.8106 2.8106 3.2322 3.2322 6.2340 6.2340 6.2835 6.2835 k = 0.3393 0.5670-0.0000 ( 4723 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5621 -23.5621 -23.5618 -23.5618 -23.3870 -23.3870 -23.3860 -23.3860 -23.3811 -23.3811 -23.3797 -23.3797 2.7345 2.7345 2.8852 2.8852 3.0820 3.0820 6.3065 6.3065 6.3556 6.3556 k = 0.3333 0.5774-0.0000 ( 4731 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5620 -23.5620 -23.5620 -23.5620 -23.3871 -23.3871 -23.3860 -23.3860 -23.3811 -23.3811 -23.3798 -23.3798 2.7740 2.7740 2.9604 2.9604 2.9639 2.9639 6.3817 6.3817 6.3817 6.3817 k = 0.3333 0.5774-0.0000 ( 4731 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5620 -23.5620 -23.5620 -23.5620 -23.3871 -23.3871 -23.3860 -23.3860 -23.3811 -23.3811 -23.3798 -23.3798 2.7740 2.7740 2.9604 2.9604 2.9639 2.9639 6.3817 6.3817 6.3817 6.3817 k = 0.3274 0.5670-0.0000 ( 4727 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5621 -23.5621 -23.5618 -23.5618 -23.3871 -23.3871 -23.3860 -23.3860 -23.3811 -23.3811 -23.3797 -23.3797 2.7053 2.7053 2.9551 2.9551 3.0413 3.0413 6.2503 6.2503 6.4596 6.4596 k = 0.3214 0.5567-0.0000 ( 4705 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5621 -23.5621 -23.5617 -23.5617 -23.3870 -23.3870 -23.3860 -23.3860 -23.3812 -23.3812 -23.3794 -23.3794 2.5696 2.5696 3.0200 3.0200 3.1225 3.1225 6.1001 6.1001 6.4928 6.4928 k = 0.3155 0.5464-0.0000 ( 4709 PWs) bands (ev): -51.5138 -51.5138 -51.5137 -51.5137 -23.5623 -23.5623 -23.5615 -23.5615 -23.3869 -23.3869 -23.3860 -23.3860 -23.3815 -23.3815 -23.3791 -23.3791 2.4236 2.4236 3.1002 3.1002 3.2056 3.2056 5.9506 5.9506 6.4459 6.4459 k = 0.3095 0.5361-0.0000 ( 4705 PWs) bands (ev): -51.5138 -51.5138 -51.5136 -51.5136 -23.5624 -23.5624 -23.5613 -23.5613 -23.3869 -23.3869 -23.3860 -23.3860 -23.3817 -23.3817 -23.3788 -23.3788 2.2765 2.2765 3.1864 3.1864 3.2905 3.2905 5.8034 5.8034 6.3815 6.3815 k = 0.3036 0.5258-0.0000 ( 4701 PWs) bands (ev): -51.5138 -51.5138 -51.5136 -51.5136 -23.5625 -23.5625 -23.5611 -23.5611 -23.3868 -23.3868 -23.3860 -23.3860 -23.3818 -23.3818 -23.3784 -23.3784 2.1304 2.1304 3.2768 3.2768 3.3768 3.3768 5.6588 5.6588 6.3033 6.3033 k = 0.2976 0.5155-0.0000 ( 4711 PWs) bands (ev): -51.5139 -51.5139 -51.5136 -51.5136 -23.5626 -23.5626 -23.5610 -23.5610 -23.3868 -23.3868 -23.3860 -23.3860 -23.3821 -23.3821 -23.3781 -23.3781 1.9859 1.9859 3.3707 3.3707 3.4643 3.4643 5.5170 5.5170 6.2153 6.2153 k = 0.2917 0.5052-0.0000 ( 4711 PWs) bands (ev): -51.5139 -51.5139 -51.5136 -51.5136 -23.5627 -23.5627 -23.5608 -23.5608 -23.3867 -23.3867 -23.3860 -23.3860 -23.3822 -23.3822 -23.3777 -23.3777 1.8435 1.8435 3.4677 3.4677 3.5525 3.5525 5.3780 5.3780 6.1212 6.1212 k = 0.2857 0.4949-0.0000 ( 4727 PWs) bands (ev): -51.5139 -51.5139 -51.5136 -51.5136 -23.5628 -23.5628 -23.5606 -23.5606 -23.3867 -23.3867 -23.3862 -23.3862 -23.3823 -23.3823 -23.3774 -23.3774 1.7033 1.7033 3.5678 3.5678 3.6409 3.6409 5.2418 5.2418 6.0244 6.0244 k = 0.2798 0.4846-0.0000 ( 4719 PWs) bands (ev): -51.5139 -51.5139 -51.5136 -51.5136 -23.5628 -23.5628 -23.5603 -23.5603 -23.3865 -23.3865 -23.3862 -23.3862 -23.3823 -23.3823 -23.3770 -23.3770 1.5655 1.5655 3.6708 3.6708 3.7287 3.7287 5.1085 5.1085 5.9276 5.9276 k = 0.2738 0.4743-0.0000 ( 4719 PWs) bands (ev): -51.5140 -51.5140 -51.5136 -51.5136 -23.5629 -23.5629 -23.5601 -23.5601 -23.3864 -23.3864 -23.3861 -23.3861 -23.3823 -23.3823 -23.3766 -23.3766 1.4300 1.4300 3.7768 3.7768 3.8149 3.8149 4.9780 4.9780 5.8332 5.8332 k = 0.2679 0.4639-0.0000 ( 4719 PWs) bands (ev): -51.5140 -51.5140 -51.5136 -51.5136 -23.5629 -23.5629 -23.5598 -23.5598 -23.3865 -23.3865 -23.3860 -23.3860 -23.3823 -23.3823 -23.3762 -23.3762 1.2970 1.2970 3.8855 3.8855 3.8982 3.8982 4.8503 4.8503 5.7438 5.7438 k = 0.2619 0.4536-0.0000 ( 4715 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5629 -23.5629 -23.5595 -23.5595 -23.3865 -23.3865 -23.3858 -23.3858 -23.3823 -23.3823 -23.3758 -23.3758 1.1666 1.1666 3.9761 3.9761 3.9976 3.9976 4.7255 4.7255 5.6620 5.6620 k = 0.2560 0.4433-0.0000 ( 4721 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5629 -23.5629 -23.5593 -23.5593 -23.3866 -23.3866 -23.3856 -23.3856 -23.3822 -23.3822 -23.3754 -23.3754 1.0387 1.0387 4.0472 4.0472 4.1121 4.1121 4.6036 4.6036 5.5908 5.5908 k = 0.2500 0.4330-0.0000 ( 4721 PWs) bands (ev): -51.5142 -51.5142 -51.5136 -51.5136 -23.5629 -23.5629 -23.5589 -23.5589 -23.3867 -23.3867 -23.3853 -23.3853 -23.3821 -23.3821 -23.3751 -23.3751 0.9134 0.9134 4.1076 4.1076 4.2295 4.2295 4.4846 4.4846 5.5339 5.5339 k = 0.2440 0.4227-0.0000 ( 4721 PWs) bands (ev): -51.5142 -51.5142 -51.5136 -51.5136 -23.5629 -23.5629 -23.5586 -23.5586 -23.3868 -23.3868 -23.3850 -23.3850 -23.3819 -23.3819 -23.3747 -23.3747 0.7908 0.7908 4.1538 4.1538 4.3496 4.3496 4.3686 4.3686 5.4953 5.4953 k = 0.2381 0.4124-0.0000 ( 4717 PWs) bands (ev): -51.5142 -51.5142 -51.5136 -51.5136 -23.5629 -23.5629 -23.5582 -23.5582 -23.3869 -23.3869 -23.3847 -23.3847 -23.3817 -23.3817 -23.3743 -23.3743 0.6708 0.6708 4.1824 4.1824 4.2550 4.2550 4.4730 4.4730 5.4786 5.4786 k = 0.2321 0.4021-0.0000 ( 4713 PWs) bands (ev): -51.5143 -51.5143 -51.5136 -51.5136 -23.5629 -23.5629 -23.5578 -23.5578 -23.3870 -23.3870 -23.3843 -23.3843 -23.3815 -23.3815 -23.3739 -23.3739 0.5535 0.5535 4.1443 4.1443 4.1913 4.1913 4.5990 4.5990 5.4863 5.4863 k = 0.2262 0.3918-0.0000 ( 4711 PWs) bands (ev): -51.5143 -51.5143 -51.5136 -51.5136 -23.5628 -23.5628 -23.5574 -23.5574 -23.3871 -23.3871 -23.3840 -23.3840 -23.3813 -23.3813 -23.3735 -23.3735 0.4389 0.4389 4.0368 4.0368 4.1798 4.1798 4.7278 4.7278 5.5189 5.5189 k = 0.2202 0.3815-0.0000 ( 4717 PWs) bands (ev): -51.5144 -51.5144 -51.5136 -51.5136 -23.5628 -23.5628 -23.5571 -23.5571 -23.3872 -23.3872 -23.3836 -23.3836 -23.3811 -23.3811 -23.3731 -23.3731 0.3271 0.3271 3.9320 3.9320 4.1502 4.1502 4.8594 4.8594 5.5745 5.5745 k = 0.2143 0.3712-0.0000 ( 4729 PWs) bands (ev): -51.5144 -51.5144 -51.5136 -51.5136 -23.5628 -23.5628 -23.5567 -23.5567 -23.3874 -23.3874 -23.3832 -23.3832 -23.3808 -23.3808 -23.3728 -23.3728 0.2180 0.2180 3.8300 3.8300 4.1058 4.1058 4.9939 4.9939 5.6497 5.6497 k = 0.2083 0.3608-0.0000 ( 4721 PWs) bands (ev): -51.5145 -51.5145 -51.5136 -51.5136 -23.5627 -23.5627 -23.5563 -23.5563 -23.3874 -23.3874 -23.3828 -23.3828 -23.3805 -23.3805 -23.3724 -23.3724 0.1117 0.1117 3.7309 3.7309 4.0502 4.0502 5.1312 5.1312 5.7411 5.7411 k = 0.2024 0.3505-0.0000 ( 4725 PWs) bands (ev): -51.5145 -51.5145 -51.5136 -51.5136 -23.5626 -23.5626 -23.5559 -23.5559 -23.3875 -23.3875 -23.3824 -23.3824 -23.3802 -23.3802 -23.3721 -23.3721 0.0081 0.0081 3.6346 3.6346 3.9867 3.9867 5.2712 5.2712 5.8455 5.8455 k = 0.1964 0.3402-0.0000 ( 4733 PWs) bands (ev): -51.5146 -51.5146 -51.5136 -51.5136 -23.5626 -23.5626 -23.5555 -23.5555 -23.3876 -23.3876 -23.3819 -23.3819 -23.3799 -23.3799 -23.3717 -23.3717 -0.0926 -0.0926 3.5412 3.5412 3.9178 3.9178 5.4141 5.4141 5.9604 5.9604 k = 0.1905 0.3299-0.0000 ( 4737 PWs) bands (ev): -51.5146 -51.5146 -51.5137 -51.5137 -23.5625 -23.5625 -23.5551 -23.5551 -23.3877 -23.3877 -23.3815 -23.3815 -23.3795 -23.3795 -23.3714 -23.3714 -0.1905 -0.1905 3.4505 3.4505 3.8456 3.8456 5.5598 5.5598 6.0838 6.0838 k = 0.1845 0.3196-0.0000 ( 4743 PWs) bands (ev): -51.5147 -51.5147 -51.5137 -51.5137 -23.5625 -23.5625 -23.5546 -23.5546 -23.3878 -23.3878 -23.3810 -23.3810 -23.3791 -23.3791 -23.3711 -23.3711 -0.2855 -0.2855 3.3628 3.3628 3.7715 3.7715 5.7084 5.7084 6.2143 6.2143 k = 0.1786 0.3093-0.0000 ( 4743 PWs) bands (ev): -51.5147 -51.5147 -51.5137 -51.5137 -23.5624 -23.5624 -23.5542 -23.5542 -23.3879 -23.3879 -23.3806 -23.3806 -23.3787 -23.3787 -23.3708 -23.3708 -0.3777 -0.3777 3.2778 3.2778 3.6966 3.6966 5.8597 5.8597 6.3508 6.3508 k = 0.1726 0.2990-0.0000 ( 4743 PWs) bands (ev): -51.5148 -51.5148 -51.5137 -51.5137 -23.5623 -23.5623 -23.5537 -23.5537 -23.3880 -23.3880 -23.3801 -23.3801 -23.3782 -23.3782 -23.3705 -23.3705 -0.4670 -0.4670 3.1956 3.1956 3.6216 3.6216 6.0137 6.0137 6.4926 6.4926 k = 0.1667 0.2887-0.0000 ( 4729 PWs) bands (ev): -51.5148 -51.5148 -51.5137 -51.5137 -23.5621 -23.5621 -23.5532 -23.5532 -23.3880 -23.3880 -23.3796 -23.3796 -23.3776 -23.3776 -23.3702 -23.3702 -0.5534 -0.5534 3.1163 3.1163 3.5472 3.5472 6.1706 6.1706 6.6391 6.6391 k = 0.1607 0.2784-0.0000 ( 4733 PWs) bands (ev): -51.5149 -51.5149 -51.5138 -51.5138 -23.5620 -23.5620 -23.5527 -23.5527 -23.3881 -23.3881 -23.3792 -23.3792 -23.3771 -23.3771 -23.3699 -23.3699 -0.6369 -0.6369 3.0398 3.0398 3.4739 3.4739 6.3303 6.3303 6.7898 6.7898 k = 0.1548 0.2681-0.0000 ( 4735 PWs) bands (ev): -51.5149 -51.5149 -51.5138 -51.5138 -23.5619 -23.5619 -23.5523 -23.5523 -23.3881 -23.3881 -23.3787 -23.3787 -23.3766 -23.3766 -23.3696 -23.3696 -0.7175 -0.7175 2.9661 2.9661 3.4020 3.4020 6.4927 6.4927 6.9444 6.9444 k = 0.1488 0.2577-0.0000 ( 4739 PWs) bands (ev): -51.5150 -51.5150 -51.5138 -51.5138 -23.5618 -23.5618 -23.5519 -23.5519 -23.3882 -23.3882 -23.3783 -23.3783 -23.3761 -23.3761 -23.3694 -23.3694 -0.7951 -0.7951 2.8952 2.8952 3.3318 3.3318 6.6579 6.6579 7.1026 7.1026 k = 0.1429 0.2474-0.0000 ( 4739 PWs) bands (ev): -51.5150 -51.5150 -51.5138 -51.5138 -23.5616 -23.5616 -23.5514 -23.5514 -23.3882 -23.3882 -23.3778 -23.3778 -23.3755 -23.3755 -23.3691 -23.3691 -0.8698 -0.8698 2.8272 2.8272 3.2635 3.2635 6.8258 6.8258 7.2642 7.2642 k = 0.1369 0.2371-0.0000 ( 4747 PWs) bands (ev): -51.5151 -51.5151 -51.5138 -51.5138 -23.5615 -23.5615 -23.5510 -23.5510 -23.3882 -23.3882 -23.3774 -23.3774 -23.3750 -23.3750 -23.3689 -23.3689 -0.9416 -0.9416 2.7619 2.7619 3.1972 3.1972 6.9964 6.9964 7.4290 7.4290 k = 0.1310 0.2268-0.0000 ( 4735 PWs) bands (ev): -51.5151 -51.5151 -51.5139 -51.5139 -23.5614 -23.5614 -23.5505 -23.5505 -23.3882 -23.3882 -23.3769 -23.3769 -23.3744 -23.3744 -23.3686 -23.3686 -1.0104 -1.0104 2.6994 2.6994 3.1332 3.1332 7.1698 7.1698 7.5968 7.5968 k = 0.1250 0.2165-0.0000 ( 4737 PWs) bands (ev): -51.5151 -51.5151 -51.5139 -51.5139 -23.5613 -23.5613 -23.5500 -23.5500 -23.3883 -23.3883 -23.3766 -23.3766 -23.3737 -23.3737 -23.3683 -23.3683 -1.0762 -1.0762 2.6397 2.6397 3.0716 3.0716 7.3458 7.3458 7.7675 7.7675 k = 0.1190 0.2062-0.0000 ( 4735 PWs) bands (ev): -51.5152 -51.5152 -51.5139 -51.5139 -23.5612 -23.5612 -23.5496 -23.5496 -23.3883 -23.3883 -23.3761 -23.3761 -23.3732 -23.3732 -23.3681 -23.3681 -1.1391 -1.1391 2.5829 2.5829 3.0123 3.0123 7.5246 7.5246 7.9410 7.9410 k = 0.1131 0.1959-0.0000 ( 4735 PWs) bands (ev): -51.5152 -51.5152 -51.5139 -51.5139 -23.5610 -23.5610 -23.5492 -23.5492 -23.3884 -23.3884 -23.3757 -23.3757 -23.3727 -23.3727 -23.3679 -23.3679 -1.1989 -1.1989 2.5288 2.5288 2.9557 2.9557 7.7060 7.7060 8.1171 8.1171 k = 0.1071 0.1856-0.0000 ( 4733 PWs) bands (ev): -51.5153 -51.5153 -51.5140 -51.5140 -23.5609 -23.5609 -23.5488 -23.5488 -23.3884 -23.3884 -23.3753 -23.3753 -23.3720 -23.3720 -23.3677 -23.3677 -1.2557 -1.2557 2.4775 2.4775 2.9016 2.9016 7.8900 7.8900 8.2958 8.2958 k = 0.1012 0.1753-0.0000 ( 4725 PWs) bands (ev): -51.5153 -51.5153 -51.5140 -51.5140 -23.5608 -23.5608 -23.5484 -23.5484 -23.3884 -23.3884 -23.3748 -23.3748 -23.3714 -23.3714 -23.3675 -23.3675 -1.3095 -1.3095 2.4290 2.4290 2.8502 2.8502 8.0767 8.0767 8.4768 8.4768 k = 0.0952 0.1650-0.0000 ( 4729 PWs) bands (ev): -51.5154 -51.5154 -51.5140 -51.5140 -23.5607 -23.5607 -23.5480 -23.5480 -23.3884 -23.3884 -23.3745 -23.3745 -23.3709 -23.3709 -23.3674 -23.3674 -1.3603 -1.3603 2.3832 2.3832 2.8015 2.8015 8.2659 8.2659 8.6601 8.6601 k = 0.0893 0.1546-0.0000 ( 4727 PWs) bands (ev): -51.5154 -51.5154 -51.5140 -51.5140 -23.5606 -23.5606 -23.5477 -23.5477 -23.3884 -23.3884 -23.3741 -23.3741 -23.3704 -23.3704 -23.3672 -23.3672 -1.4081 -1.4081 2.3403 2.3403 2.7556 2.7556 8.4576 8.4576 8.8455 8.8455 k = 0.0833 0.1443-0.0000 ( 4727 PWs) bands (ev): -51.5154 -51.5154 -51.5140 -51.5140 -23.5604 -23.5604 -23.5473 -23.5473 -23.3885 -23.3885 -23.3737 -23.3737 -23.3699 -23.3699 -23.3671 -23.3671 -1.4528 -1.4528 2.3001 2.3001 2.7125 2.7125 8.6518 8.6518 9.0328 9.0328 k = 0.0774 0.1340-0.0000 ( 4741 PWs) bands (ev): -51.5155 -51.5155 -51.5140 -51.5140 -23.5604 -23.5604 -23.5471 -23.5471 -23.3885 -23.3885 -23.3734 -23.3734 -23.3695 -23.3695 -23.3670 -23.3670 -1.4944 -1.4944 2.2628 2.2628 2.6723 2.6723 8.8483 8.8483 9.2219 9.2219 k = 0.0714 0.1237-0.0000 ( 4745 PWs) bands (ev): -51.5155 -51.5155 -51.5141 -51.5141 -23.5603 -23.5603 -23.5468 -23.5468 -23.3885 -23.3885 -23.3731 -23.3731 -23.3690 -23.3690 -23.3669 -23.3669 -1.5331 -1.5331 2.2282 2.2282 2.6349 2.6349 9.0472 9.0472 9.4124 9.4124 k = 0.0655 0.1134-0.0000 ( 4733 PWs) bands (ev): -51.5156 -51.5156 -51.5141 -51.5141 -23.5602 -23.5602 -23.5465 -23.5465 -23.3885 -23.3885 -23.3727 -23.3727 -23.3686 -23.3686 -23.3667 -23.3667 -1.5686 -1.5686 2.1963 2.1963 2.6004 2.6004 9.2483 9.2483 9.6041 9.6041 k = 0.0595 0.1031-0.0000 ( 4727 PWs) bands (ev): -51.5156 -51.5156 -51.5141 -51.5141 -23.5601 -23.5601 -23.5462 -23.5462 -23.3885 -23.3885 -23.3724 -23.3724 -23.3681 -23.3681 -23.3666 -23.3666 -1.6011 -1.6011 2.1673 2.1673 2.5689 2.5689 9.4515 9.4515 9.7965 9.7965 k = 0.0536 0.0928-0.0000 ( 4725 PWs) bands (ev): -51.5156 -51.5156 -51.5141 -51.5141 -23.5600 -23.5600 -23.5460 -23.5460 -23.3885 -23.3885 -23.3721 -23.3721 -23.3678 -23.3678 -23.3665 -23.3665 -1.6305 -1.6305 2.1410 2.1410 2.5403 2.5403 9.6566 9.6566 9.9892 9.9892 k = 0.0476 0.0825-0.0000 ( 4717 PWs) bands (ev): -51.5156 -51.5156 -51.5141 -51.5141 -23.5599 -23.5599 -23.5457 -23.5457 -23.3885 -23.3885 -23.3718 -23.3718 -23.3674 -23.3674 -23.3664 -23.3664 -1.6568 -1.6568 2.1175 2.1175 2.5146 2.5146 9.8633 9.8633 10.1814 10.1814 k = 0.0417 0.0722-0.0000 ( 4725 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5598 -23.5598 -23.5456 -23.5456 -23.3885 -23.3885 -23.3717 -23.3717 -23.3672 -23.3672 -23.3664 -23.3664 -1.6800 -1.6800 2.0967 2.0967 2.4920 2.4920 10.0715 10.0715 10.3721 10.3721 k = 0.0357 0.0619-0.0000 ( 4725 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5597 -23.5597 -23.5455 -23.5455 -23.3885 -23.3885 -23.3714 -23.3714 -23.3669 -23.3669 -23.3663 -23.3663 -1.7001 -1.7001 2.0787 2.0787 2.4723 2.4723 10.2806 10.2806 10.5598 10.5598 k = 0.0298 0.0515-0.0000 ( 4721 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5597 -23.5597 -23.5453 -23.5453 -23.3885 -23.3885 -23.3712 -23.3712 -23.3667 -23.3667 -23.3663 -23.3663 -1.7172 -1.7172 2.0635 2.0635 2.4556 2.4556 10.4899 10.4899 10.7425 10.7425 k = 0.0238 0.0412-0.0000 ( 4709 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5596 -23.5596 -23.5451 -23.5451 -23.3884 -23.3884 -23.3710 -23.3710 -23.3665 -23.3665 -23.3662 -23.3662 -1.7311 -1.7311 2.0511 2.0511 2.4420 2.4420 10.6984 10.6984 10.9170 10.9170 k = 0.0179 0.0309-0.0000 ( 4727 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5596 -23.5596 -23.5451 -23.5451 -23.3885 -23.3885 -23.3710 -23.3710 -23.3664 -23.3664 -23.3662 -23.3662 -1.7420 -1.7420 2.0414 2.0414 2.4314 2.4314 10.9039 10.9039 11.0783 11.0783 k = 0.0119 0.0206-0.0000 ( 4731 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5596 -23.5596 -23.5451 -23.5451 -23.3885 -23.3885 -23.3710 -23.3710 -23.3664 -23.3664 -23.3662 -23.3662 -1.7498 -1.7498 2.0345 2.0345 2.4238 2.4238 11.1014 11.1014 11.2182 11.2182 k = 0.0060 0.0103-0.0000 ( 4735 PWs) bands (ev): -51.5158 -51.5158 -51.5141 -51.5141 -23.5596 -23.5596 -23.5451 -23.5451 -23.3885 -23.3885 -23.3709 -23.3709 -23.3664 -23.3664 -23.3661 -23.3661 -1.7544 -1.7544 2.0304 2.0304 2.4192 2.4192 11.2753 11.2753 11.3216 11.3216 k = 0.0000 0.0000 0.0000 ( 4735 PWs) bands (ev): -51.5158 -51.5158 -51.5141 -51.5141 -23.5596 -23.5596 -23.5450 -23.5450 -23.3885 -23.3885 -23.3709 -23.3709 -23.3663 -23.3663 -23.3661 -23.3661 -1.7560 -1.7560 2.0290 2.0290 2.4177 2.4177 11.3614 11.3614 11.3633 11.3633 k = 0.0000 0.0000 0.0000 ( 4735 PWs) bands (ev): -51.5158 -51.5158 -51.5141 -51.5141 -23.5596 -23.5596 -23.5450 -23.5450 -23.3885 -23.3885 -23.3709 -23.3709 -23.3663 -23.3663 -23.3661 -23.3661 -1.7560 -1.7560 2.0290 2.0290 2.4177 2.4177 11.3614 11.3614 11.3633 11.3633 k = 0.0000 0.0000 0.0118 ( 4735 PWs) bands (ev): -51.5158 -51.5158 -51.5141 -51.5141 -23.5596 -23.5596 -23.5451 -23.5451 -23.3885 -23.3885 -23.3709 -23.3709 -23.3663 -23.3663 -23.3662 -23.3662 -1.7544 -1.7544 1.9799 1.9799 2.4694 2.4694 11.3626 11.3626 11.3645 11.3645 k = 0.0000 0.0000 0.0235 ( 4729 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5595 -23.5595 -23.5451 -23.5451 -23.3884 -23.3884 -23.3709 -23.3709 -23.3664 -23.3664 -23.3662 -23.3662 -1.7499 -1.7499 1.8732 1.8732 2.5838 2.5838 11.3661 11.3661 11.3680 11.3680 k = 0.0000 0.0000 0.0353 ( 4723 PWs) bands (ev): -51.5157 -51.5157 -51.5141 -51.5141 -23.5595 -23.5595 -23.5451 -23.5451 -23.3883 -23.3883 -23.3709 -23.3709 -23.3664 -23.3664 -23.3662 -23.3662 -1.7423 -1.7423 1.7484 1.7484 2.7216 2.7216 11.3719 11.3719 11.3738 11.3738 k = 0.0000 0.0000 0.0471 ( 4717 PWs) bands (ev): -51.5157 -51.5157 -51.5142 -51.5142 -23.5594 -23.5594 -23.5451 -23.5451 -23.3881 -23.3881 -23.3708 -23.3708 -23.3664 -23.3664 -23.3663 -23.3663 -1.7317 -1.7317 1.6184 1.6184 2.8697 2.8697 11.3800 11.3800 11.3819 11.3819 k = 0.0000 0.0000 0.0589 ( 4729 PWs) bands (ev): -51.5157 -51.5157 -51.5142 -51.5142 -23.5592 -23.5592 -23.5453 -23.5453 -23.3880 -23.3880 -23.3708 -23.3708 -23.3666 -23.3666 -23.3664 -23.3664 -1.7181 -1.7181 1.4874 1.4874 3.0240 3.0240 11.3905 11.3905 11.3923 11.3923 k = 0.0000 0.0000 0.0706 ( 4741 PWs) bands (ev): -51.5157 -51.5157 -51.5142 -51.5142 -23.5592 -23.5592 -23.5455 -23.5455 -23.3879 -23.3879 -23.3708 -23.3708 -23.3668 -23.3668 -23.3665 -23.3665 -1.7014 -1.7014 1.3571 1.3571 3.1827 3.1827 11.3572 11.3572 11.4032 11.4032 k = 0.0000 0.0000 0.0824 ( 4741 PWs) bands (ev): -51.5157 -51.5157 -51.5142 -51.5142 -23.5590 -23.5590 -23.5456 -23.5456 -23.3876 -23.3876 -23.3708 -23.3708 -23.3671 -23.3671 -23.3666 -23.3666 -1.6817 -1.6817 1.2284 1.2284 3.3451 3.3451 11.1724 11.1724 11.4182 11.4182 k = 0.0000 0.0000 0.0942 ( 4740 PWs) bands (ev): -51.5157 -51.5157 -51.5142 -51.5142 -23.5588 -23.5588 -23.5458 -23.5458 -23.3873 -23.3873 -23.3707 -23.3707 -23.3674 -23.3674 -23.3666 -23.3666 -1.6590 -1.6590 1.1016 1.1016 3.5107 3.5107 10.9699 10.9699 11.4354 11.4365 k = 0.0000 0.0000 0.1059 ( 4728 PWs) bands (ev): -51.5156 -51.5156 -51.5143 -51.5143 -23.5585 -23.5585 -23.5460 -23.5460 -23.3870 -23.3870 -23.3705 -23.3705 -23.3677 -23.3677 -23.3667 -23.3667 -1.6332 -1.6332 0.9771 0.9771 3.6792 3.6792 10.7557 10.7557 11.4547 11.4553 k = 0.0000 0.0000 0.1177 ( 4728 PWs) bands (ev): -51.5156 -51.5156 -51.5143 -51.5143 -23.5582 -23.5582 -23.5462 -23.5462 -23.3866 -23.3866 -23.3705 -23.3705 -23.3681 -23.3681 -23.3668 -23.3668 -1.6045 -1.6045 0.8548 0.8548 3.8506 3.8506 10.5337 10.5337 11.4762 11.4774 k = 0.0000 0.0000 0.1295 ( 4734 PWs) bands (ev): -51.5156 -51.5156 -51.5143 -51.5143 -23.5580 -23.5580 -23.5465 -23.5465 -23.3863 -23.3863 -23.3704 -23.3704 -23.3685 -23.3685 -23.3668 -23.3668 -1.5727 -1.5727 0.7350 0.7350 4.0248 4.0248 10.3071 10.3071 11.5001 11.5010 k = 0.0000 0.0000 0.1413 ( 4734 PWs) bands (ev): -51.5155 -51.5155 -51.5143 -51.5143 -23.5577 -23.5577 -23.5467 -23.5467 -23.3859 -23.3859 -23.3703 -23.3703 -23.3690 -23.3690 -23.3669 -23.3669 -1.5380 -1.5380 0.6178 0.6178 4.2016 4.2016 10.0776 10.0776 11.5250 11.5258 k = 0.0000 0.0000 0.1530 ( 4734 PWs) bands (ev): -51.5155 -51.5155 -51.5144 -51.5144 -23.5574 -23.5574 -23.5470 -23.5470 -23.3854 -23.3854 -23.3702 -23.3702 -23.3695 -23.3695 -23.3670 -23.3670 -1.5002 -1.5002 0.5031 0.5031 4.3810 4.3810 9.8467 9.8467 11.5524 11.5533 k = 0.0000 0.0000 0.1648 ( 4746 PWs) bands (ev): -51.5155 -51.5155 -51.5144 -51.5144 -23.5571 -23.5571 -23.5474 -23.5474 -23.3850 -23.3850 -23.3701 -23.3701 -23.3700 -23.3700 -23.3672 -23.3672 -1.4595 -1.4595 0.3910 0.3910 4.5629 4.5629 9.6154 9.6154 11.5814 11.5823 k = 0.0000 0.0000 0.1766 ( 4758 PWs) bands (ev): -51.5155 -51.5155 -51.5145 -51.5145 -23.5567 -23.5567 -23.5478 -23.5478 -23.3845 -23.3845 -23.3707 -23.3707 -23.3700 -23.3700 -23.3673 -23.3673 -1.4158 -1.4158 0.2816 0.2816 4.7474 4.7474 9.3842 9.3842 11.6125 11.6127 k = 0.0000 0.0000 0.1883 ( 4746 PWs) bands (ev): -51.5154 -51.5154 -51.5145 -51.5145 -23.5563 -23.5563 -23.5481 -23.5481 -23.3839 -23.3839 -23.3712 -23.3712 -23.3699 -23.3699 -23.3674 -23.3674 -1.3691 -1.3691 0.1749 0.1749 4.9344 4.9344 9.1538 9.1538 11.6439 11.6444 k = 0.0000 0.0000 0.2001 ( 4734 PWs) bands (ev): -51.5154 -51.5154 -51.5145 -51.5145 -23.5559 -23.5559 -23.5484 -23.5484 -23.3833 -23.3833 -23.3717 -23.3717 -23.3698 -23.3698 -23.3674 -23.3674 -1.3194 -1.3194 0.0709 0.0709 5.1239 5.1239 8.9243 8.9243 11.6768 11.6770 k = 0.0000 0.0000 0.2119 ( 4758 PWs) bands (ev): -51.5154 -51.5154 -51.5146 -51.5146 -23.5555 -23.5555 -23.5489 -23.5489 -23.3828 -23.3828 -23.3725 -23.3725 -23.3697 -23.3697 -23.3676 -23.3676 -1.2668 -1.2668 -0.0304 -0.0304 5.3158 5.3158 8.6962 8.6962 11.7107 11.7112 k = 0.0000 0.0000 0.2237 ( 4758 PWs) bands (ev): -51.5153 -51.5153 -51.5146 -51.5146 -23.5551 -23.5551 -23.5493 -23.5493 -23.3822 -23.3822 -23.3732 -23.3732 -23.3695 -23.3695 -23.3678 -23.3678 -1.2112 -1.2112 -0.1289 -0.1289 5.5101 5.5101 8.4696 8.4696 11.7450 11.7454 k = 0.0000 0.0000 0.2354 ( 4758 PWs) bands (ev): -51.5153 -51.5153 -51.5147 -51.5147 -23.5547 -23.5547 -23.5497 -23.5497 -23.3816 -23.3816 -23.3738 -23.3738 -23.3694 -23.3694 -23.3679 -23.3679 -1.1527 -1.1527 -0.2247 -0.2247 5.7068 5.7068 8.2447 8.2447 11.7793 11.7796 k = 0.0000 0.0000 0.2472 ( 4746 PWs) bands (ev): -51.5152 -51.5152 -51.5147 -51.5147 -23.5543 -23.5543 -23.5500 -23.5500 -23.3809 -23.3809 -23.3744 -23.3744 -23.3693 -23.3693 -23.3680 -23.3680 -1.0912 -1.0912 -0.3177 -0.3177 5.9059 5.9059 8.0216 8.0216 11.8133 11.8134 k = 0.0000 0.0000 0.2590 ( 4746 PWs) bands (ev): -51.5152 -51.5152 -51.5147 -51.5147 -23.5538 -23.5538 -23.5504 -23.5504 -23.3803 -23.3803 -23.3750 -23.3750 -23.3691 -23.3691 -23.3681 -23.3681 -1.0268 -1.0268 -0.4079 -0.4079 6.1074 6.1074 7.8004 7.8004 11.8461 11.8461 k = 0.0000 0.0000 0.2707 ( 4716 PWs) bands (ev): -51.5151 -51.5151 -51.5148 -51.5148 -23.5534 -23.5534 -23.5507 -23.5507 -23.3796 -23.3796 -23.3755 -23.3755 -23.3690 -23.3690 -23.3681 -23.3681 -0.9595 -0.9595 -0.4952 -0.4952 6.3112 6.3112 7.5813 7.5813 11.8770 11.8770 k = 0.0000 0.0000 0.2825 ( 4722 PWs) bands (ev): -51.5150 -51.5150 -51.5148 -51.5148 -23.5529 -23.5529 -23.5512 -23.5512 -23.3789 -23.3789 -23.3762 -23.3762 -23.3688 -23.3688 -23.3683 -23.3683 -0.8893 -0.8893 -0.5798 -0.5798 6.5173 6.5173 7.3641 7.3641 11.9052 11.9052 k = 0.0000 0.0000 0.2943 ( 4758 PWs) bands (ev): -51.5150 -51.5150 -51.5149 -51.5149 -23.5526 -23.5526 -23.5517 -23.5517 -23.3784 -23.3784 -23.3770 -23.3770 -23.3688 -23.3688 -23.3685 -23.3685 -0.8162 -0.8162 -0.6614 -0.6614 6.7256 6.7256 7.1491 7.1491 11.9299 11.9299 k = 0.0000 0.0000 0.3061 ( 4758 PWs) bands (ev): -51.5150 -51.5150 -51.5150 -51.5150 -23.5522 -23.5522 -23.5522 -23.5522 -23.3777 -23.3777 -23.3777 -23.3777 -23.3687 -23.3687 -23.3687 -23.3687 -0.7403 -0.7403 -0.7403 -0.7403 6.9363 6.9363 6.9363 6.9363 11.9501 11.9502 k = 0.0000 0.0000 0.3061 ( 4758 PWs) bands (ev): -51.5150 -51.5150 -51.5150 -51.5150 -23.5522 -23.5522 -23.5522 -23.5522 -23.3777 -23.3777 -23.3777 -23.3777 -23.3687 -23.3687 -23.3687 -23.3687 -0.7403 -0.7403 -0.7403 -0.7403 6.9363 6.9363 6.9363 6.9363 11.9501 11.9502 k = 0.0102 0.0059 0.3061 ( 4752 PWs) bands (ev): -51.5150 -51.5150 -51.5150 -51.5150 -23.5522 -23.5522 -23.5522 -23.5522 -23.3777 -23.3777 -23.3777 -23.3777 -23.3686 -23.3686 -23.3686 -23.3686 -0.7388 -0.7388 -0.7388 -0.7388 6.9375 6.9375 6.9375 6.9375 11.9023 11.9023 k = 0.0204 0.0118 0.3061 ( 4752 PWs) bands (ev): -51.5150 -51.5150 -51.5150 -51.5150 -23.5522 -23.5522 -23.5522 -23.5522 -23.3777 -23.3777 -23.3777 -23.3777 -23.3687 -23.3687 -23.3687 -23.3687 -0.7343 -0.7343 -0.7343 -0.7343 6.9412 6.9412 6.9412 6.9412 11.7773 11.7773 k = 0.0306 0.0177 0.3061 ( 4764 PWs) bands (ev): -51.5150 -51.5150 -51.5150 -51.5150 -23.5523 -23.5523 -23.5523 -23.5523 -23.3778 -23.3778 -23.3778 -23.3778 -23.3688 -23.3688 -23.3688 -23.3688 -0.7269 -0.7269 -0.7269 -0.7269 6.9473 6.9473 6.9473 6.9473 11.6070 11.6070 k = 0.0408 0.0236 0.3061 ( 4756 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5523 -23.5523 -23.5523 -23.5523 -23.3778 -23.3778 -23.3778 -23.3778 -23.3689 -23.3689 -23.3689 -23.3689 -0.7164 -0.7164 -0.7164 -0.7164 6.9558 6.9558 6.9558 6.9558 11.4125 11.4125 k = 0.0510 0.0295 0.3061 ( 4756 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5524 -23.5524 -23.5524 -23.5524 -23.3779 -23.3779 -23.3779 -23.3779 -23.3690 -23.3690 -23.3690 -23.3690 -0.7030 -0.7030 -0.7030 -0.7030 6.9667 6.9667 6.9667 6.9667 11.2051 11.2051 k = 0.0612 0.0353 0.3061 ( 4736 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5524 -23.5524 -23.5524 -23.5524 -23.3779 -23.3779 -23.3779 -23.3779 -23.3690 -23.3690 -23.3690 -23.3690 -0.6866 -0.6866 -0.6866 -0.6866 6.9800 6.9800 6.9800 6.9800 10.9905 10.9905 k = 0.0714 0.0412 0.3061 ( 4744 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5526 -23.5526 -23.5526 -23.5526 -23.3780 -23.3780 -23.3780 -23.3780 -23.3692 -23.3692 -23.3692 -23.3692 -0.6672 -0.6672 -0.6672 -0.6672 6.9956 6.9956 6.9956 6.9956 10.7721 10.7721 k = 0.0816 0.0471 0.3061 ( 4742 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5527 -23.5527 -23.5527 -23.5527 -23.3781 -23.3781 -23.3781 -23.3781 -23.3694 -23.3694 -23.3694 -23.3694 -0.6449 -0.6449 -0.6449 -0.6449 7.0134 7.0134 7.0134 7.0134 10.5517 10.5517 k = 0.0918 0.0530 0.3061 ( 4746 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5528 -23.5528 -23.5528 -23.5528 -23.3782 -23.3782 -23.3782 -23.3782 -23.3696 -23.3696 -23.3696 -23.3696 -0.6196 -0.6196 -0.6196 -0.6196 7.0335 7.0335 7.0335 7.0335 10.3306 10.3306 k = 0.1020 0.0589 0.3061 ( 4742 PWs) bands (ev): -51.5148 -51.5148 -51.5148 -51.5148 -23.5530 -23.5530 -23.5530 -23.5530 -23.3784 -23.3784 -23.3784 -23.3784 -23.3698 -23.3698 -23.3698 -23.3698 -0.5913 -0.5913 -0.5913 -0.5913 7.0556 7.0556 7.0556 7.0556 10.1097 10.1097 k = 0.1122 0.0648 0.3061 ( 4742 PWs) bands (ev): -51.5148 -51.5148 -51.5148 -51.5148 -23.5532 -23.5532 -23.5532 -23.5532 -23.3785 -23.3785 -23.3785 -23.3785 -23.3700 -23.3700 -23.3700 -23.3700 -0.5601 -0.5601 -0.5601 -0.5601 7.0798 7.0798 7.0798 7.0798 9.8897 9.8897 k = 0.1224 0.0707 0.3061 ( 4738 PWs) bands (ev): -51.5148 -51.5148 -51.5148 -51.5148 -23.5533 -23.5533 -23.5533 -23.5533 -23.3787 -23.3787 -23.3787 -23.3787 -23.3702 -23.3702 -23.3702 -23.3702 -0.5259 -0.5259 -0.5259 -0.5259 7.1057 7.1057 7.1057 7.1057 9.6710 9.6710 k = 0.1327 0.0766 0.3061 ( 4738 PWs) bands (ev): -51.5148 -51.5148 -51.5148 -51.5148 -23.5535 -23.5535 -23.5535 -23.5535 -23.3789 -23.3789 -23.3789 -23.3789 -23.3704 -23.3704 -23.3704 -23.3704 -0.4888 -0.4888 -0.4888 -0.4888 7.1331 7.1331 7.1331 7.1331 9.4544 9.4544 k = 0.1429 0.0825 0.3061 ( 4730 PWs) bands (ev): -51.5147 -51.5147 -51.5147 -51.5147 -23.5537 -23.5537 -23.5537 -23.5537 -23.3790 -23.3790 -23.3790 -23.3790 -23.3707 -23.3707 -23.3707 -23.3707 -0.4487 -0.4487 -0.4487 -0.4487 7.1617 7.1617 7.1617 7.1617 9.2402 9.2402 k = 0.1531 0.0884 0.3061 ( 4726 PWs) bands (ev): -51.5147 -51.5147 -51.5147 -51.5147 -23.5539 -23.5539 -23.5539 -23.5539 -23.3793 -23.3793 -23.3793 -23.3793 -23.3709 -23.3709 -23.3709 -23.3709 -0.4057 -0.4057 -0.4057 -0.4057 7.1908 7.1908 7.1908 7.1908 9.0294 9.0294 k = 0.1633 0.0943 0.3061 ( 4738 PWs) bands (ev): -51.5147 -51.5147 -51.5147 -51.5147 -23.5542 -23.5542 -23.5542 -23.5542 -23.3796 -23.3796 -23.3796 -23.3796 -23.3712 -23.3712 -23.3712 -23.3712 -0.3598 -0.3598 -0.3598 -0.3598 7.2198 7.2198 7.2198 7.2198 8.8228 8.8228 k = 0.1735 0.1002 0.3061 ( 4754 PWs) bands (ev): -51.5147 -51.5147 -51.5147 -51.5147 -23.5545 -23.5545 -23.5545 -23.5545 -23.3799 -23.3799 -23.3799 -23.3799 -23.3715 -23.3715 -23.3715 -23.3715 -0.3110 -0.3110 -0.3110 -0.3110 7.2470 7.2470 7.2470 7.2470 8.6220 8.6220 k = 0.1837 0.1060 0.3061 ( 4754 PWs) bands (ev): -51.5146 -51.5146 -51.5146 -51.5146 -23.5548 -23.5548 -23.5548 -23.5548 -23.3802 -23.3802 -23.3802 -23.3802 -23.3717 -23.3717 -23.3717 -23.3717 -0.2592 -0.2592 -0.2592 -0.2592 7.2701 7.2701 7.2701 7.2701 8.4296 8.4296 k = 0.1939 0.1119 0.3061 ( 4752 PWs) bands (ev): -51.5146 -51.5146 -51.5146 -51.5146 -23.5551 -23.5551 -23.5551 -23.5551 -23.3805 -23.3805 -23.3805 -23.3805 -23.3719 -23.3719 -23.3719 -23.3719 -0.2045 -0.2045 -0.2045 -0.2045 7.2846 7.2846 7.2846 7.2846 8.2499 8.2499 k = 0.2041 0.1178 0.3061 ( 4744 PWs) bands (ev): -51.5146 -51.5146 -51.5146 -51.5146 -23.5553 -23.5553 -23.5553 -23.5553 -23.3808 -23.3808 -23.3808 -23.3808 -23.3721 -23.3721 -23.3721 -23.3721 -0.1469 -0.1469 -0.1469 -0.1469 7.2825 7.2825 7.2825 7.2825 8.0911 8.0911 k = 0.2143 0.1237 0.3061 ( 4738 PWs) bands (ev): -51.5145 -51.5145 -51.5145 -51.5145 -23.5556 -23.5556 -23.5556 -23.5556 -23.3811 -23.3811 -23.3811 -23.3811 -23.3723 -23.3723 -23.3723 -23.3723 -0.0865 -0.0865 -0.0865 -0.0865 7.2511 7.2511 7.2511 7.2511 7.9659 7.9659 k = 0.2245 0.1296 0.3061 ( 4726 PWs) bands (ev): -51.5145 -51.5145 -51.5145 -51.5145 -23.5558 -23.5558 -23.5558 -23.5558 -23.3814 -23.3814 -23.3814 -23.3814 -23.3725 -23.3725 -23.3725 -23.3725 -0.0232 -0.0232 -0.0232 -0.0232 7.1775 7.1775 7.1775 7.1775 7.8871 7.8871 k = 0.2347 0.1355 0.3061 ( 4720 PWs) bands (ev): -51.5144 -51.5144 -51.5144 -51.5144 -23.5561 -23.5561 -23.5561 -23.5561 -23.3818 -23.3818 -23.3818 -23.3818 -23.3727 -23.3727 -23.3727 -23.3727 0.0431 0.0431 0.0431 0.0431 7.0609 7.0609 7.0609 7.0609 7.8556 7.8556 k = 0.2449 0.1414 0.3061 ( 4724 PWs) bands (ev): -51.5144 -51.5144 -51.5144 -51.5144 -23.5564 -23.5564 -23.5564 -23.5564 -23.3822 -23.3822 -23.3822 -23.3822 -23.3729 -23.3729 -23.3729 -23.3729 0.1121 0.1121 0.1121 0.1121 6.9133 6.9133 6.9133 6.9133 7.8593 7.8593 k = 0.2551 0.1473 0.3061 ( 4722 PWs) bands (ev): -51.5144 -51.5144 -51.5144 -51.5144 -23.5567 -23.5567 -23.5567 -23.5567 -23.3826 -23.3826 -23.3826 -23.3826 -23.3731 -23.3731 -23.3731 -23.3731 0.1840 0.1840 0.1840 0.1840 6.7479 6.7479 6.7479 6.7479 7.8850 7.8850 k = 0.2653 0.1532 0.3061 ( 4716 PWs) bands (ev): -51.5143 -51.5143 -51.5143 -51.5143 -23.5570 -23.5570 -23.5570 -23.5570 -23.3830 -23.3830 -23.3830 -23.3830 -23.3732 -23.3732 -23.3732 -23.3732 0.2588 0.2588 0.2588 0.2588 6.5732 6.5732 6.5732 6.5732 7.9242 7.9242 k = 0.2755 0.1591 0.3061 ( 4708 PWs) bands (ev): -51.5143 -51.5143 -51.5143 -51.5143 -23.5573 -23.5573 -23.5573 -23.5573 -23.3834 -23.3834 -23.3834 -23.3834 -23.3733 -23.3733 -23.3733 -23.3733 0.3363 0.3363 0.3363 0.3363 6.3939 6.3939 6.3939 6.3939 7.9720 7.9720 k = 0.2857 0.1650 0.3061 ( 4708 PWs) bands (ev): -51.5143 -51.5143 -51.5143 -51.5143 -23.5576 -23.5576 -23.5576 -23.5576 -23.3838 -23.3838 -23.3838 -23.3838 -23.3735 -23.3735 -23.3735 -23.3735 0.4167 0.4167 0.4167 0.4167 6.2126 6.2126 6.2126 6.2126 8.0257 8.0257 k = 0.2959 0.1708 0.3061 ( 4708 PWs) bands (ev): -51.5142 -51.5142 -51.5142 -51.5142 -23.5579 -23.5579 -23.5579 -23.5579 -23.3842 -23.3842 -23.3842 -23.3842 -23.3736 -23.3736 -23.3736 -23.3736 0.4998 0.4998 0.4998 0.4998 6.0309 6.0309 6.0309 6.0309 8.0837 8.0837 k = 0.3061 0.1767 0.3061 ( 4716 PWs) bands (ev): -51.5142 -51.5142 -51.5142 -51.5142 -23.5582 -23.5582 -23.5582 -23.5582 -23.3846 -23.3846 -23.3846 -23.3846 -23.3737 -23.3737 -23.3737 -23.3737 0.5857 0.5857 0.5857 0.5857 5.8496 5.8496 5.8496 5.8496 8.1448 8.1448 k = 0.3163 0.1826 0.3061 ( 4716 PWs) bands (ev): -51.5142 -51.5142 -51.5142 -51.5142 -23.5585 -23.5585 -23.5585 -23.5585 -23.3851 -23.3851 -23.3851 -23.3851 -23.3738 -23.3738 -23.3738 -23.3738 0.6744 0.6744 0.6744 0.6744 5.6694 5.6694 5.6694 5.6694 8.2085 8.2085 k = 0.3265 0.1885 0.3061 ( 4720 PWs) bands (ev): -51.5141 -51.5141 -51.5141 -51.5141 -23.5588 -23.5588 -23.5588 -23.5588 -23.3855 -23.3855 -23.3855 -23.3855 -23.3740 -23.3740 -23.3740 -23.3740 0.7658 0.7658 0.7658 0.7658 5.4907 5.4907 5.4907 5.4907 8.2740 8.2740 k = 0.3367 0.1944 0.3061 ( 4720 PWs) bands (ev): -51.5141 -51.5141 -51.5141 -51.5141 -23.5590 -23.5590 -23.5590 -23.5590 -23.3859 -23.3859 -23.3859 -23.3859 -23.3740 -23.3740 -23.3740 -23.3740 0.8600 0.8600 0.8600 0.8600 5.3136 5.3136 5.3136 5.3136 8.3408 8.3408 k = 0.3469 0.2003 0.3061 ( 4728 PWs) bands (ev): -51.5141 -51.5141 -51.5141 -51.5141 -23.5593 -23.5593 -23.5593 -23.5593 -23.3863 -23.3863 -23.3863 -23.3863 -23.3742 -23.3742 -23.3742 -23.3742 0.9568 0.9568 0.9568 0.9568 5.1385 5.1385 5.1385 5.1385 8.4085 8.4085 k = 0.3571 0.2062 0.3061 ( 4732 PWs) bands (ev): -51.5141 -51.5141 -51.5141 -51.5141 -23.5596 -23.5596 -23.5596 -23.5596 -23.3867 -23.3867 -23.3867 -23.3867 -23.3742 -23.3742 -23.3742 -23.3742 1.0563 1.0563 1.0563 1.0563 4.9655 4.9655 4.9655 4.9655 8.4765 8.4765 k = 0.3673 0.2121 0.3061 ( 4744 PWs) bands (ev): -51.5141 -51.5141 -51.5141 -51.5141 -23.5599 -23.5599 -23.5599 -23.5599 -23.3871 -23.3871 -23.3871 -23.3871 -23.3744 -23.3744 -23.3744 -23.3744 1.1583 1.1583 1.1583 1.1583 4.7947 4.7947 4.7947 4.7947 8.5442 8.5442 k = 0.3776 0.2180 0.3061 ( 4736 PWs) bands (ev): -51.5140 -51.5140 -51.5140 -51.5140 -23.5601 -23.5601 -23.5601 -23.5601 -23.3874 -23.3874 -23.3874 -23.3874 -23.3744 -23.3744 -23.3744 -23.3744 1.2630 1.2630 1.2630 1.2630 4.6263 4.6263 4.6263 4.6263 8.6112 8.6112 k = 0.3878 0.2239 0.3061 ( 4744 PWs) bands (ev): -51.5140 -51.5140 -51.5140 -51.5140 -23.5603 -23.5603 -23.5603 -23.5603 -23.3877 -23.3877 -23.3877 -23.3877 -23.3745 -23.3745 -23.3745 -23.3745 1.3702 1.3702 1.3702 1.3702 4.4603 4.4603 4.4603 4.4603 8.6768 8.6768 k = 0.3980 0.2298 0.3061 ( 4748 PWs) bands (ev): -51.5140 -51.5140 -51.5140 -51.5140 -23.5605 -23.5605 -23.5605 -23.5605 -23.3880 -23.3880 -23.3880 -23.3880 -23.3746 -23.3746 -23.3746 -23.3746 1.4798 1.4798 1.4798 1.4798 4.2968 4.2968 4.2968 4.2968 8.7402 8.7402 k = 0.4082 0.2357 0.3061 ( 4752 PWs) bands (ev): -51.5140 -51.5140 -51.5140 -51.5140 -23.5607 -23.5607 -23.5607 -23.5607 -23.3883 -23.3883 -23.3883 -23.3883 -23.3746 -23.3746 -23.3746 -23.3746 1.5918 1.5918 1.5918 1.5918 4.1361 4.1361 4.1361 4.1361 8.8007 8.8007 k = 0.4184 0.2415 0.3061 ( 4752 PWs) bands (ev): -51.5140 -51.5140 -51.5140 -51.5140 -23.5609 -23.5609 -23.5609 -23.5609 -23.3885 -23.3885 -23.3885 -23.3885 -23.3747 -23.3747 -23.3747 -23.3747 1.7059 1.7059 1.7059 1.7059 3.9783 3.9783 3.9783 3.9783 8.8576 8.8576 k = 0.4286 0.2474 0.3061 ( 4744 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5610 -23.5610 -23.5610 -23.5610 -23.3887 -23.3887 -23.3887 -23.3887 -23.3747 -23.3747 -23.3747 -23.3747 1.8221 1.8221 1.8221 1.8221 3.8236 3.8236 3.8236 3.8236 8.9100 8.9100 k = 0.4388 0.2533 0.3061 ( 4736 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5611 -23.5611 -23.5611 -23.5611 -23.3889 -23.3889 -23.3889 -23.3889 -23.3747 -23.3747 -23.3747 -23.3747 1.9398 1.9398 1.9398 1.9398 3.6724 3.6724 3.6724 3.6724 8.9571 8.9571 k = 0.4490 0.2592 0.3061 ( 4740 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5612 -23.5612 -23.5612 -23.5612 -23.3890 -23.3890 -23.3890 -23.3890 -23.3748 -23.3748 -23.3748 -23.3748 2.0586 2.0586 2.0586 2.0586 3.5253 3.5253 3.5253 3.5253 8.9981 8.9981 k = 0.4592 0.2651 0.3061 ( 4744 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5613 -23.5613 -23.5613 -23.5613 -23.3892 -23.3892 -23.3892 -23.3892 -23.3748 -23.3748 -23.3748 -23.3748 2.1772 2.1772 2.1772 2.1772 3.3835 3.3835 3.3835 3.3835 9.0325 9.0325 k = 0.4694 0.2710 0.3061 ( 4746 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5614 -23.5614 -23.5614 -23.5614 -23.3893 -23.3893 -23.3893 -23.3893 -23.3748 -23.3748 -23.3748 -23.3748 2.2936 2.2936 2.2936 2.2936 3.2491 3.2491 3.2491 3.2491 9.0597 9.0597 k = 0.4796 0.2769 0.3061 ( 4746 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5615 -23.5615 -23.3894 -23.3894 -23.3894 -23.3894 -23.3748 -23.3748 -23.3748 -23.3748 2.4024 2.4024 2.4024 2.4024 3.1274 3.1274 3.1274 3.1274 9.0793 9.0793 k = 0.4898 0.2828 0.3061 ( 4736 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5615 -23.5615 -23.3894 -23.3894 -23.3894 -23.3894 -23.3748 -23.3748 -23.3748 -23.3748 2.4903 2.4903 2.4903 2.4903 3.0317 3.0317 3.0317 3.0317 9.0912 9.0912 k = 0.5000 0.2887 0.3061 ( 4736 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5615 -23.5615 -23.3894 -23.3894 -23.3894 -23.3894 -23.3748 -23.3748 -23.3748 -23.3748 2.5276 2.5276 2.5276 2.5276 2.9919 2.9919 2.9919 2.9919 9.0952 9.0952 k = 0.5000 0.2887 0.3061 ( 4736 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5615 -23.5615 -23.3894 -23.3894 -23.3894 -23.3894 -23.3748 -23.3748 -23.3748 -23.3748 2.5276 2.5276 2.5276 2.5276 2.9919 2.9919 2.9919 2.9919 9.0952 9.0952 k = 0.4940 0.2990 0.3061 ( 4736 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5615 -23.5615 -23.3895 -23.3895 -23.3893 -23.3893 -23.3749 -23.3749 -23.3747 -23.3747 2.5289 2.5289 2.5290 2.5290 2.9933 2.9933 2.9934 2.9934 9.0005 9.0006 k = 0.4881 0.3093 0.3061 ( 4742 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5615 -23.5615 -23.3896 -23.3896 -23.3892 -23.3892 -23.3751 -23.3751 -23.3747 -23.3747 2.5330 2.5330 2.5331 2.5331 2.9977 2.9977 2.9978 2.9978 8.8302 8.8305 k = 0.4821 0.3196 0.3061 ( 4738 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5615 -23.5615 -23.3897 -23.3897 -23.3890 -23.3890 -23.3752 -23.3752 -23.3746 -23.3746 2.5399 2.5399 2.5400 2.5400 3.0051 3.0051 3.0052 3.0052 8.6432 8.6434 k = 0.4762 0.3299 0.3061 ( 4734 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5614 -23.5614 -23.3898 -23.3898 -23.3889 -23.3889 -23.3754 -23.3754 -23.3745 -23.3745 2.5495 2.5495 2.5496 2.5496 3.0154 3.0154 3.0155 3.0155 8.4496 8.4498 k = 0.4702 0.3402 0.3061 ( 4730 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5614 -23.5614 -23.3899 -23.3899 -23.3887 -23.3887 -23.3756 -23.3756 -23.3745 -23.3745 2.5618 2.5618 2.5620 2.5620 3.0285 3.0285 3.0287 3.0287 8.2529 8.2531 k = 0.4643 0.3505 0.3061 ( 4734 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5616 -23.5616 -23.5615 -23.5615 -23.3900 -23.3900 -23.3886 -23.3886 -23.3758 -23.3758 -23.3745 -23.3745 2.5769 2.5769 2.5771 2.5771 3.0446 3.0446 3.0448 3.0448 8.0545 8.0546 k = 0.4583 0.3608 0.3061 ( 4730 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5616 -23.5616 -23.5615 -23.5615 -23.3901 -23.3901 -23.3884 -23.3884 -23.3760 -23.3760 -23.3745 -23.3745 2.5947 2.5947 2.5949 2.5949 3.0636 3.0636 3.0638 3.0638 7.8555 7.8557 k = 0.4524 0.3712 0.3061 ( 4722 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5616 -23.5616 -23.5615 -23.5615 -23.3902 -23.3902 -23.3883 -23.3883 -23.3762 -23.3762 -23.3745 -23.3745 2.6153 2.6153 2.6156 2.6156 3.0855 3.0855 3.0857 3.0857 7.6565 7.6566 k = 0.4464 0.3815 0.3061 ( 4722 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5617 -23.5617 -23.5615 -23.5615 -23.3903 -23.3903 -23.3881 -23.3881 -23.3765 -23.3765 -23.3745 -23.3745 2.6386 2.6386 2.6389 2.6389 3.1101 3.1101 3.1104 3.1104 7.4582 7.4583 k = 0.4405 0.3918 0.3061 ( 4718 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5617 -23.5617 -23.5615 -23.5615 -23.3903 -23.3903 -23.3880 -23.3880 -23.3767 -23.3767 -23.3745 -23.3745 2.6647 2.6647 2.6650 2.6650 3.1376 3.1376 3.1378 3.1378 7.2608 7.2610 k = 0.4345 0.4021 0.3061 ( 4726 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5618 -23.5618 -23.5615 -23.5615 -23.3904 -23.3904 -23.3878 -23.3878 -23.3770 -23.3770 -23.3746 -23.3746 2.6935 2.6935 2.6939 2.6939 3.1677 3.1677 3.1680 3.1680 7.0649 7.0649 k = 0.4286 0.4124 0.3061 ( 4730 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5618 -23.5618 -23.5616 -23.5616 -23.3906 -23.3906 -23.3877 -23.3877 -23.3773 -23.3773 -23.3747 -23.3747 2.7250 2.7250 2.7254 2.7254 3.2006 3.2006 3.2009 3.2009 6.8706 6.8708 k = 0.4226 0.4227 0.3061 ( 4738 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5619 -23.5619 -23.5617 -23.5617 -23.3907 -23.3907 -23.3875 -23.3875 -23.3776 -23.3776 -23.3748 -23.3748 2.7593 2.7593 2.7598 2.7598 3.2360 3.2360 3.2364 3.2364 6.6783 6.6783 k = 0.4167 0.4330 0.3061 ( 4734 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5619 -23.5619 -23.5617 -23.5617 -23.3907 -23.3907 -23.3874 -23.3874 -23.3779 -23.3779 -23.3748 -23.3748 2.7963 2.7963 2.7968 2.7968 3.2739 3.2739 3.2743 3.2743 6.4882 6.4882 k = 0.4107 0.4433 0.3061 ( 4730 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5620 -23.5620 -23.5617 -23.5617 -23.3908 -23.3908 -23.3872 -23.3872 -23.3782 -23.3782 -23.3749 -23.3749 2.8361 2.8361 2.8366 2.8366 3.3142 3.3142 3.3147 3.3147 6.3005 6.3005 k = 0.4048 0.4536 0.3061 ( 4730 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5620 -23.5620 -23.5617 -23.5617 -23.3909 -23.3909 -23.3870 -23.3870 -23.3785 -23.3785 -23.3750 -23.3750 2.8786 2.8786 2.8792 2.8792 3.3566 3.3566 3.3572 3.3572 6.1156 6.1156 k = 0.3988 0.4639 0.3061 ( 4718 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5621 -23.5621 -23.5617 -23.5617 -23.3909 -23.3909 -23.3868 -23.3868 -23.3787 -23.3787 -23.3750 -23.3750 2.9238 2.9238 2.9244 2.9244 3.4011 3.4011 3.4016 3.4016 5.9338 5.9338 k = 0.3929 0.4743 0.3061 ( 4710 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5621 -23.5621 -23.5617 -23.5617 -23.3910 -23.3910 -23.3867 -23.3867 -23.3790 -23.3790 -23.3750 -23.3750 2.9717 2.9717 2.9724 2.9724 3.4472 3.4472 3.4478 3.4478 5.7554 5.7554 k = 0.3869 0.4846 0.3061 ( 4716 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5621 -23.5621 -23.5618 -23.5618 -23.3910 -23.3910 -23.3865 -23.3865 -23.3793 -23.3793 -23.3751 -23.3751 3.0223 3.0223 3.0231 3.0231 3.4944 3.4944 3.4951 3.4951 5.5811 5.5811 k = 0.3810 0.4949 0.3061 ( 4714 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5622 -23.5622 -23.5618 -23.5618 -23.3911 -23.3911 -23.3864 -23.3864 -23.3795 -23.3795 -23.3752 -23.3752 3.0755 3.0755 3.0764 3.0764 3.5423 3.5423 3.5431 3.5431 5.4114 5.4114 k = 0.3750 0.5052 0.3061 ( 4716 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5622 -23.5622 -23.5619 -23.5619 -23.3912 -23.3912 -23.3863 -23.3863 -23.3798 -23.3798 -23.3752 -23.3752 3.1313 3.1313 3.1323 3.1323 3.5898 3.5898 3.5907 3.5907 5.2475 5.2475 k = 0.3690 0.5155 0.3061 ( 4712 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5619 -23.5619 -23.3912 -23.3912 -23.3862 -23.3862 -23.3800 -23.3800 -23.3753 -23.3753 3.1897 3.1897 3.1908 3.1908 3.6355 3.6355 3.6365 3.6365 5.0908 5.0908 k = 0.3631 0.5258 0.3061 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5619 -23.5619 -23.3913 -23.3913 -23.3861 -23.3861 -23.3801 -23.3801 -23.3753 -23.3753 3.2504 3.2504 3.2517 3.2517 3.6772 3.6772 3.6784 3.6784 4.9437 4.9437 k = 0.3571 0.5361 0.3061 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5620 -23.5620 -23.3913 -23.3913 -23.3860 -23.3860 -23.3803 -23.3803 -23.3753 -23.3753 3.3132 3.3132 3.3148 3.3148 3.7114 3.7114 3.7128 3.7128 4.8101 4.8101 k = 0.3512 0.5464 0.3061 ( 4718 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3859 -23.3859 -23.3804 -23.3804 -23.3754 -23.3754 3.3775 3.3775 3.3794 3.3794 3.7329 3.7329 3.7348 3.7348 4.6956 4.6956 k = 0.3452 0.5567 0.3061 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3859 -23.3859 -23.3805 -23.3805 -23.3754 -23.3754 3.4416 3.4416 3.4441 3.4441 3.7357 3.7357 3.7382 3.7382 4.6079 4.6079 k = 0.3393 0.5670 0.3061 ( 4706 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3858 -23.3858 -23.3806 -23.3806 -23.3754 -23.3754 3.5001 3.5001 3.5036 3.5036 3.7178 3.7178 3.7214 3.7214 4.5542 4.5542 k = 0.3333 0.5774 0.3061 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3858 -23.3858 -23.3806 -23.3806 -23.3754 -23.3754 3.5306 3.5306 3.5352 3.5352 3.6993 3.6993 3.7041 3.7041 4.5369 4.5369 k = 0.3333 0.5774 0.3061 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3858 -23.3858 -23.3806 -23.3806 -23.3754 -23.3754 3.5306 3.5306 3.5352 3.5352 3.6993 3.6993 3.7041 3.7041 4.5369 4.5369 k = 0.3274 0.5670 0.3061 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3858 -23.3858 -23.3806 -23.3806 -23.3754 -23.3754 3.4914 3.4914 3.4946 3.4946 3.7291 3.7291 3.7325 3.7325 4.5518 4.5518 k = 0.3214 0.5567 0.3061 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3858 -23.3858 -23.3805 -23.3805 -23.3754 -23.3754 3.4001 3.4001 3.4019 3.4019 3.7949 3.7949 3.7968 3.7968 4.5909 4.5909 k = 0.3155 0.5464 0.3061 ( 4716 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3859 -23.3859 -23.3805 -23.3805 -23.3754 -23.3754 3.2866 3.2866 3.2878 3.2878 3.8729 3.8729 3.8741 3.8741 4.6472 4.6472 k = 0.3095 0.5361 0.3061 ( 4704 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5619 -23.5619 -23.3913 -23.3913 -23.3859 -23.3859 -23.3803 -23.3803 -23.3753 -23.3753 3.1629 3.1629 3.1637 3.1637 3.9569 3.9569 3.9576 3.9576 4.7156 4.7156 k = 0.3036 0.5258 0.3061 ( 4708 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5619 -23.5619 -23.3912 -23.3912 -23.3860 -23.3860 -23.3802 -23.3802 -23.3753 -23.3753 3.0339 3.0339 3.0345 3.0345 4.0450 4.0450 4.0455 4.0455 4.7930 4.7930 k = 0.2976 0.5155 0.3061 ( 4716 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5622 -23.5622 -23.5619 -23.5619 -23.3912 -23.3912 -23.3860 -23.3860 -23.3801 -23.3801 -23.3753 -23.3753 2.9025 2.9025 2.9030 2.9030 4.1366 4.1366 4.1369 4.1369 4.8773 4.8773 k = 0.2917 0.5052 0.3061 ( 4716 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5622 -23.5622 -23.5618 -23.5618 -23.3911 -23.3911 -23.3860 -23.3860 -23.3799 -23.3799 -23.3752 -23.3752 2.7703 2.7703 2.7707 2.7707 4.2315 4.2315 4.2317 4.2317 4.9671 4.9671 k = 0.2857 0.4949 0.3061 ( 4716 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5621 -23.5621 -23.5617 -23.5617 -23.3909 -23.3909 -23.3860 -23.3860 -23.3797 -23.3797 -23.3752 -23.3752 2.6383 2.6383 2.6386 2.6386 4.3295 4.3295 4.3295 4.3295 5.0615 5.0615 k = 0.2798 0.4846 0.3061 ( 4720 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5620 -23.5620 -23.5616 -23.5616 -23.3908 -23.3908 -23.3860 -23.3860 -23.3795 -23.3795 -23.3751 -23.3751 2.5072 2.5072 2.5075 2.5075 4.4304 4.4304 4.4304 4.4304 5.1600 5.1600 k = 0.2738 0.4743 0.3061 ( 4728 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5619 -23.5619 -23.5616 -23.5616 -23.3907 -23.3907 -23.3861 -23.3861 -23.3794 -23.3794 -23.3751 -23.3751 2.3775 2.3775 2.3777 2.3777 4.5342 4.5342 4.5343 4.5343 5.2620 5.2620 k = 0.2679 0.4639 0.3061 ( 4728 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5618 -23.5618 -23.5615 -23.5615 -23.3905 -23.3905 -23.3860 -23.3860 -23.3791 -23.3791 -23.3750 -23.3750 2.2494 2.2494 2.2496 2.2496 4.6410 4.6410 4.6412 4.6412 5.3673 5.3673 k = 0.2619 0.4536 0.3061 ( 4728 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5616 -23.5616 -23.5613 -23.5613 -23.3903 -23.3903 -23.3860 -23.3860 -23.3789 -23.3789 -23.3749 -23.3749 2.1232 2.1232 2.1234 2.1234 4.7507 4.7507 4.7509 4.7509 5.4755 5.4755 k = 0.2560 0.4433 0.3061 ( 4728 PWs) bands (ev): -51.5138 -51.5138 -51.5138 -51.5138 -23.5615 -23.5615 -23.5612 -23.5612 -23.3901 -23.3901 -23.3859 -23.3859 -23.3787 -23.3787 -23.3748 -23.3748 1.9991 1.9991 1.9992 1.9992 4.8632 4.8632 4.8635 4.8635 5.5864 5.5864 k = 0.2500 0.4330 0.3061 ( 4728 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5613 -23.5613 -23.5610 -23.5610 -23.3899 -23.3899 -23.3858 -23.3858 -23.3785 -23.3785 -23.3747 -23.3747 1.8772 1.8772 1.8773 1.8773 4.9786 4.9786 4.9790 4.9790 5.6997 5.6997 k = 0.2440 0.4227 0.3061 ( 4728 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5611 -23.5611 -23.5609 -23.5609 -23.3896 -23.3896 -23.3857 -23.3857 -23.3783 -23.3783 -23.3746 -23.3746 1.7577 1.7577 1.7578 1.7578 5.0970 5.0970 5.0973 5.0973 5.8153 5.8153 k = 0.2381 0.4124 0.3061 ( 4724 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5609 -23.5609 -23.5607 -23.5607 -23.3893 -23.3893 -23.3855 -23.3855 -23.3780 -23.3780 -23.3745 -23.3745 1.6406 1.6406 1.6406 1.6406 5.2181 5.2181 5.2185 5.2185 5.9328 5.9328 k = 0.2321 0.4021 0.3061 ( 4724 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5607 -23.5607 -23.5605 -23.5605 -23.3890 -23.3890 -23.3854 -23.3854 -23.3778 -23.3778 -23.3744 -23.3744 1.5259 1.5259 1.5260 1.5260 5.3422 5.3422 5.3426 5.3426 6.0521 6.0521 k = 0.2262 0.3918 0.3061 ( 4732 PWs) bands (ev): -51.5140 -51.5140 -51.5140 -51.5140 -23.5605 -23.5605 -23.5603 -23.5603 -23.3887 -23.3887 -23.3852 -23.3852 -23.3775 -23.3775 -23.3743 -23.3743 1.4138 1.4138 1.4139 1.4139 5.4691 5.4691 5.4696 5.4696 6.1727 6.1727 k = 0.2202 0.3815 0.3061 ( 4724 PWs) bands (ev): -51.5140 -51.5140 -51.5140 -51.5140 -23.5603 -23.5603 -23.5600 -23.5600 -23.3883 -23.3883 -23.3850 -23.3850 -23.3773 -23.3773 -23.3742 -23.3742 1.3043 1.3043 1.3043 1.3043 5.5988 5.5988 5.5993 5.5993 6.2944 6.2944 k = 0.2143 0.3712 0.3061 ( 4728 PWs) bands (ev): -51.5140 -51.5140 -51.5140 -51.5140 -23.5600 -23.5600 -23.5598 -23.5598 -23.3880 -23.3880 -23.3848 -23.3848 -23.3771 -23.3771 -23.3741 -23.3741 1.1974 1.1974 1.1974 1.1974 5.7314 5.7314 5.7320 5.7320 6.4167 6.4167 k = 0.2083 0.3608 0.3061 ( 4724 PWs) bands (ev): -51.5140 -51.5140 -51.5140 -51.5140 -23.5598 -23.5598 -23.5596 -23.5596 -23.3876 -23.3876 -23.3845 -23.3845 -23.3768 -23.3768 -23.3739 -23.3739 1.0932 1.0932 1.0932 1.0932 5.8668 5.8668 5.8674 5.8674 6.5389 6.5389 k = 0.2024 0.3505 0.3061 ( 4720 PWs) bands (ev): -51.5141 -51.5141 -51.5141 -51.5141 -23.5595 -23.5595 -23.5593 -23.5593 -23.3872 -23.3872 -23.3843 -23.3843 -23.3766 -23.3766 -23.3738 -23.3738 0.9916 0.9916 0.9917 0.9917 6.0051 6.0051 6.0057 6.0057 6.6604 6.6604 k = 0.1964 0.3402 0.3061 ( 4720 PWs) bands (ev): -51.5141 -51.5141 -51.5141 -51.5141 -23.5592 -23.5592 -23.5590 -23.5590 -23.3868 -23.3868 -23.3840 -23.3840 -23.3763 -23.3763 -23.3737 -23.3737 0.8928 0.8928 0.8929 0.8929 6.1461 6.1461 6.1468 6.1468 6.7801 6.7801 k = 0.1905 0.3299 0.3061 ( 4720 PWs) bands (ev): -51.5141 -51.5141 -51.5141 -51.5141 -23.5589 -23.5589 -23.5588 -23.5588 -23.3864 -23.3864 -23.3837 -23.3837 -23.3761 -23.3761 -23.3736 -23.3736 0.7968 0.7968 0.7968 0.7968 6.2899 6.2899 6.2907 6.2907 6.8967 6.8967 k = 0.1845 0.3196 0.3061 ( 4706 PWs) bands (ev): -51.5141 -51.5141 -51.5141 -51.5141 -23.5586 -23.5586 -23.5584 -23.5584 -23.3859 -23.3859 -23.3834 -23.3834 -23.3757 -23.3757 -23.3734 -23.3734 0.7035 0.7035 0.7035 0.7035 6.4365 6.4365 6.4373 6.4373 7.0084 7.0084 k = 0.1786 0.3093 0.3061 ( 4710 PWs) bands (ev): -51.5142 -51.5142 -51.5142 -51.5142 -23.5583 -23.5583 -23.5582 -23.5582 -23.3855 -23.3855 -23.3831 -23.3831 -23.3755 -23.3755 -23.3733 -23.3733 0.6130 0.6130 0.6130 0.6130 6.5857 6.5857 6.5866 6.5866 7.1132 7.1132 k = 0.1726 0.2990 0.3061 ( 4710 PWs) bands (ev): -51.5142 -51.5142 -51.5142 -51.5142 -23.5580 -23.5580 -23.5579 -23.5579 -23.3850 -23.3850 -23.3828 -23.3828 -23.3752 -23.3752 -23.3732 -23.3732 0.5253 0.5253 0.5254 0.5254 6.7373 6.7373 6.7384 6.7384 7.2081 7.2081 k = 0.1667 0.2887 0.3061 ( 4722 PWs) bands (ev): -51.5143 -51.5143 -51.5143 -51.5143 -23.5577 -23.5577 -23.5576 -23.5576 -23.3846 -23.3846 -23.3825 -23.3825 -23.3750 -23.3750 -23.3731 -23.3731 0.4405 0.4405 0.4405 0.4405 6.8911 6.8911 6.8923 6.8923 7.2905 7.2905 k = 0.1607 0.2784 0.3061 ( 4728 PWs) bands (ev): -51.5143 -51.5143 -51.5143 -51.5143 -23.5575 -23.5575 -23.5573 -23.5573 -23.3842 -23.3842 -23.3822 -23.3822 -23.3748 -23.3748 -23.3729 -23.3729 0.3585 0.3585 0.3585 0.3585 7.0461 7.0461 7.0476 7.0476 7.3580 7.3580 k = 0.1548 0.2681 0.3061 ( 4720 PWs) bands (ev): -51.5143 -51.5143 -51.5143 -51.5143 -23.5571 -23.5571 -23.5570 -23.5570 -23.3837 -23.3837 -23.3819 -23.3819 -23.3745 -23.3745 -23.3728 -23.3728 0.2794 0.2794 0.2794 0.2794 7.1991 7.1991 7.2012 7.2012 7.4117 7.4117 k = 0.1488 0.2577 0.3061 ( 4720 PWs) bands (ev): -51.5144 -51.5144 -51.5144 -51.5144 -23.5568 -23.5568 -23.5567 -23.5567 -23.3833 -23.3833 -23.3816 -23.3816 -23.3742 -23.3742 -23.3726 -23.3726 0.2031 0.2031 0.2031 0.2031 7.3340 7.3340 7.3370 7.3370 7.4676 7.4676 k = 0.1429 0.2474 0.3061 ( 4724 PWs) bands (ev): -51.5144 -51.5144 -51.5144 -51.5144 -23.5565 -23.5565 -23.5564 -23.5564 -23.3828 -23.3828 -23.3813 -23.3813 -23.3739 -23.3739 -23.3725 -23.3725 0.1297 0.1297 0.1297 0.1297 7.4002 7.4002 7.4022 7.4022 7.5802 7.5802 k = 0.1369 0.2371 0.3061 ( 4720 PWs) bands (ev): -51.5144 -51.5144 -51.5144 -51.5144 -23.5562 -23.5562 -23.5561 -23.5561 -23.3824 -23.3824 -23.3810 -23.3810 -23.3736 -23.3736 -23.3723 -23.3723 0.0592 0.0592 0.0593 0.0593 7.4115 7.4115 7.4124 7.4124 7.7365 7.7365 k = 0.1310 0.2268 0.3061 ( 4724 PWs) bands (ev): -51.5145 -51.5145 -51.5145 -51.5145 -23.5559 -23.5559 -23.5558 -23.5558 -23.3820 -23.3820 -23.3807 -23.3807 -23.3733 -23.3733 -23.3721 -23.3721 -0.0083 -0.0083 -0.0083 -0.0083 7.4026 7.4026 7.4031 7.4031 7.9045 7.9045 k = 0.1250 0.2165 0.3061 ( 4728 PWs) bands (ev): -51.5145 -51.5145 -51.5145 -51.5145 -23.5556 -23.5556 -23.5556 -23.5556 -23.3816 -23.3816 -23.3805 -23.3805 -23.3730 -23.3730 -23.3720 -23.3720 -0.0730 -0.0730 -0.0729 -0.0729 7.3834 7.3834 7.3837 7.3837 8.0778 8.0778 k = 0.1190 0.2062 0.3061 ( 4720 PWs) bands (ev): -51.5145 -51.5145 -51.5145 -51.5145 -23.5553 -23.5553 -23.5553 -23.5553 -23.3812 -23.3812 -23.3802 -23.3802 -23.3727 -23.3727 -23.3717 -23.3717 -0.1347 -0.1347 -0.1346 -0.1346 7.3579 7.3579 7.3581 7.3581 8.2548 8.2548 k = 0.1131 0.1959 0.3061 ( 4716 PWs) bands (ev): -51.5146 -51.5146 -51.5146 -51.5146 -23.5550 -23.5550 -23.5550 -23.5550 -23.3808 -23.3808 -23.3799 -23.3799 -23.3724 -23.3724 -23.3715 -23.3715 -0.1934 -0.1934 -0.1934 -0.1934 7.3285 7.3285 7.3286 7.3286 8.4351 8.4351 k = 0.1071 0.1856 0.3061 ( 4712 PWs) bands (ev): -51.5146 -51.5146 -51.5146 -51.5146 -23.5547 -23.5547 -23.5547 -23.5547 -23.3804 -23.3804 -23.3796 -23.3796 -23.3720 -23.3720 -23.3713 -23.3713 -0.2492 -0.2492 -0.2492 -0.2492 7.2970 7.2970 7.2971 7.2971 8.6184 8.6184 k = 0.1012 0.1753 0.3061 ( 4722 PWs) bands (ev): -51.5146 -51.5146 -51.5146 -51.5146 -23.5545 -23.5545 -23.5545 -23.5545 -23.3801 -23.3801 -23.3795 -23.3795 -23.3718 -23.3718 -23.3711 -23.3711 -0.3020 -0.3020 -0.3020 -0.3020 7.2644 7.2644 7.2645 7.2645 8.8047 8.8047 k = 0.0952 0.1650 0.3061 ( 4726 PWs) bands (ev): -51.5147 -51.5147 -51.5147 -51.5147 -23.5542 -23.5542 -23.5542 -23.5542 -23.3798 -23.3798 -23.3793 -23.3793 -23.3715 -23.3715 -23.3709 -23.3709 -0.3519 -0.3519 -0.3519 -0.3519 7.2317 7.2317 7.2317 7.2317 8.9938 8.9938 k = 0.0893 0.1546 0.3061 ( 4730 PWs) bands (ev): -51.5147 -51.5147 -51.5147 -51.5147 -23.5540 -23.5540 -23.5540 -23.5540 -23.3795 -23.3795 -23.3791 -23.3791 -23.3712 -23.3712 -23.3708 -23.3708 -0.3988 -0.3988 -0.3988 -0.3988 7.1995 7.1995 7.1995 7.1995 9.1856 9.1856 k = 0.0833 0.1443 0.3061 ( 4738 PWs) bands (ev): -51.5147 -51.5147 -51.5147 -51.5147 -23.5538 -23.5538 -23.5538 -23.5538 -23.3793 -23.3793 -23.3789 -23.3789 -23.3709 -23.3709 -23.3706 -23.3706 -0.4427 -0.4427 -0.4427 -0.4427 7.1681 7.1681 7.1682 7.1682 9.3800 9.3800 k = 0.0774 0.1340 0.3061 ( 4738 PWs) bands (ev): -51.5148 -51.5148 -51.5148 -51.5148 -23.5536 -23.5536 -23.5536 -23.5536 -23.3790 -23.3790 -23.3787 -23.3787 -23.3706 -23.3706 -23.3703 -23.3703 -0.4836 -0.4836 -0.4836 -0.4836 7.1381 7.1381 7.1381 7.1381 9.5771 9.5771 k = 0.0714 0.1237 0.3061 ( 4738 PWs) bands (ev): -51.5148 -51.5148 -51.5148 -51.5148 -23.5534 -23.5534 -23.5534 -23.5534 -23.3788 -23.3788 -23.3786 -23.3786 -23.3703 -23.3703 -23.3701 -23.3701 -0.5215 -0.5215 -0.5215 -0.5215 7.1097 7.1097 7.1097 7.1097 9.7765 9.7765 k = 0.0655 0.1134 0.3061 ( 4742 PWs) bands (ev): -51.5148 -51.5148 -51.5148 -51.5148 -23.5532 -23.5532 -23.5532 -23.5532 -23.3786 -23.3786 -23.3784 -23.3784 -23.3701 -23.3701 -23.3699 -23.3699 -0.5564 -0.5564 -0.5564 -0.5564 7.0830 7.0830 7.0830 7.0830 9.9782 9.9782 k = 0.0595 0.1031 0.3061 ( 4746 PWs) bands (ev): -51.5148 -51.5148 -51.5148 -51.5148 -23.5530 -23.5530 -23.5530 -23.5530 -23.3784 -23.3784 -23.3783 -23.3783 -23.3699 -23.3699 -23.3698 -23.3698 -0.5882 -0.5882 -0.5882 -0.5882 7.0582 7.0582 7.0582 7.0582 10.1821 10.1821 k = 0.0536 0.0928 0.3061 ( 4750 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5529 -23.5529 -23.5529 -23.5529 -23.3783 -23.3783 -23.3782 -23.3782 -23.3697 -23.3697 -23.3696 -23.3696 -0.6171 -0.6171 -0.6171 -0.6171 7.0356 7.0356 7.0356 7.0356 10.3877 10.3877 k = 0.0476 0.0825 0.3061 ( 4750 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5527 -23.5527 -23.5527 -23.5527 -23.3782 -23.3782 -23.3781 -23.3781 -23.3695 -23.3695 -23.3694 -23.3694 -0.6429 -0.6429 -0.6429 -0.6429 7.0151 7.0151 7.0151 7.0151 10.5946 10.5952 k = 0.0417 0.0722 0.3061 ( 4746 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5526 -23.5526 -23.5526 -23.5526 -23.3780 -23.3780 -23.3780 -23.3780 -23.3693 -23.3693 -23.3692 -23.3692 -0.6657 -0.6657 -0.6657 -0.6657 6.9968 6.9968 6.9968 6.9968 10.8024 10.8024 k = 0.0357 0.0619 0.3061 ( 4746 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5525 -23.5525 -23.5525 -23.5525 -23.3779 -23.3779 -23.3779 -23.3779 -23.3691 -23.3691 -23.3691 -23.3691 -0.6855 -0.6855 -0.6855 -0.6855 6.9809 6.9809 6.9809 6.9809 11.0098 11.0103 k = 0.0298 0.0515 0.3061 ( 4750 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5524 -23.5524 -23.5524 -23.5524 -23.3779 -23.3779 -23.3778 -23.3778 -23.3690 -23.3690 -23.3690 -23.3690 -0.7022 -0.7022 -0.7022 -0.7022 6.9673 6.9673 6.9673 6.9673 11.2155 11.2157 k = 0.0238 0.0412 0.3061 ( 4748 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5523 -23.5523 -23.5523 -23.5523 -23.3778 -23.3778 -23.3778 -23.3778 -23.3689 -23.3689 -23.3688 -23.3688 -0.7159 -0.7159 -0.7159 -0.7159 6.9562 6.9562 6.9562 6.9562 11.4162 11.4168 k = 0.0179 0.0309 0.3061 ( 4758 PWs) bands (ev): -51.5150 -51.5150 -51.5150 -51.5150 -23.5523 -23.5523 -23.5523 -23.5523 -23.3778 -23.3778 -23.3778 -23.3778 -23.3688 -23.3688 -23.3688 -23.3688 -0.7266 -0.7266 -0.7266 -0.7266 6.9475 6.9475 6.9475 6.9475 11.6067 11.6070 k = 0.0119 0.0206 0.3061 ( 4746 PWs) bands (ev): -51.5149 -51.5149 -51.5149 -51.5149 -23.5522 -23.5522 -23.5522 -23.5522 -23.3777 -23.3777 -23.3777 -23.3777 -23.3687 -23.3687 -23.3687 -23.3687 -0.7342 -0.7342 -0.7342 -0.7342 6.9413 6.9413 6.9413 6.9413 11.7756 11.7760 k = 0.0060 0.0103 0.3061 ( 4750 PWs) bands (ev): -51.5150 -51.5150 -51.5150 -51.5150 -23.5522 -23.5522 -23.5522 -23.5522 -23.3777 -23.3777 -23.3777 -23.3777 -23.3686 -23.3686 -23.3686 -23.3686 -0.7388 -0.7388 -0.7388 -0.7388 6.9375 6.9375 6.9375 6.9375 11.9014 11.9016 k = 0.0000 0.0000 0.3061 ( 4758 PWs) bands (ev): -51.5150 -51.5150 -51.5150 -51.5150 -23.5522 -23.5522 -23.5522 -23.5522 -23.3777 -23.3777 -23.3777 -23.3777 -23.3687 -23.3687 -23.3687 -23.3687 -0.7403 -0.7403 -0.7403 -0.7403 6.9363 6.9363 6.9363 6.9363 11.9501 11.9503 k = 0.5000 0.2887 0.3061 ( 4736 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5615 -23.5615 -23.5615 -23.5615 -23.3894 -23.3894 -23.3894 -23.3894 -23.3748 -23.3748 -23.3748 -23.3748 2.5276 2.5276 2.5276 2.5276 2.9919 2.9919 2.9919 2.9919 9.0952 9.0952 k = 0.5000 0.2887 0.2943 ( 4732 PWs) bands (ev): -51.5139 -51.5139 -51.5139 -51.5139 -23.5616 -23.5616 -23.5613 -23.5613 -23.3894 -23.3894 -23.3894 -23.3894 -23.3750 -23.3750 -23.3746 -23.3746 2.4972 2.4972 2.5398 2.5398 2.9805 2.9805 3.0267 3.0267 9.0154 9.0154 k = 0.5000 0.2887 0.2825 ( 4736 PWs) bands (ev): -51.5139 -51.5139 -51.5138 -51.5138 -23.5617 -23.5617 -23.5612 -23.5612 -23.3894 -23.3894 -23.3893 -23.3893 -23.3753 -23.3753 -23.3743 -23.3743 2.4553 2.4553 2.5307 2.5307 2.9960 2.9960 3.0786 3.0786 8.9205 8.9205 k = 0.5000 0.2887 0.2707 ( 4726 PWs) bands (ev): -51.5139 -51.5139 -51.5138 -51.5138 -23.5618 -23.5618 -23.5611 -23.5611 -23.3894 -23.3894 -23.3892 -23.3892 -23.3755 -23.3755 -23.3741 -23.3741 2.4073 2.4073 2.5036 2.5036 3.0349 3.0349 3.1420 3.1420 8.8154 8.8154 k = 0.5000 0.2887 0.2590 ( 4730 PWs) bands (ev): -51.5139 -51.5139 -51.5138 -51.5138 -23.5619 -23.5619 -23.5610 -23.5610 -23.3894 -23.3894 -23.3892 -23.3892 -23.3758 -23.3758 -23.3739 -23.3739 2.3566 2.3566 2.4650 2.4650 3.0908 3.0908 3.2134 3.2134 8.7030 8.7030 k = 0.5000 0.2887 0.2472 ( 4720 PWs) bands (ev): -51.5139 -51.5139 -51.5138 -51.5138 -23.5619 -23.5619 -23.5608 -23.5608 -23.3894 -23.3894 -23.3891 -23.3891 -23.3761 -23.3761 -23.3738 -23.3738 2.3053 2.3053 2.4204 2.4204 3.1583 3.1583 3.2908 3.2908 8.5851 8.5851 k = 0.5000 0.2887 0.2354 ( 4718 PWs) bands (ev): -51.5140 -51.5140 -51.5138 -51.5138 -23.5620 -23.5620 -23.5607 -23.5607 -23.3893 -23.3893 -23.3890 -23.3890 -23.3763 -23.3763 -23.3736 -23.3736 2.2545 2.2545 2.3731 2.3731 3.2339 3.2339 3.3730 3.3730 8.4628 8.4628 k = 0.5000 0.2887 0.2237 ( 4718 PWs) bands (ev): -51.5140 -51.5140 -51.5137 -51.5137 -23.5621 -23.5621 -23.5606 -23.5606 -23.3893 -23.3893 -23.3889 -23.3889 -23.3766 -23.3766 -23.3734 -23.3734 2.2049 2.2049 2.3253 2.3253 3.3156 3.3156 3.4591 3.4591 8.3367 8.3367 k = 0.5000 0.2887 0.2119 ( 4710 PWs) bands (ev): -51.5140 -51.5140 -51.5137 -51.5137 -23.5622 -23.5622 -23.5605 -23.5605 -23.3892 -23.3892 -23.3888 -23.3888 -23.3769 -23.3769 -23.3732 -23.3732 2.1571 2.1571 2.2780 2.2780 3.4022 3.4022 3.5488 3.5488 8.2075 8.2075 k = 0.5000 0.2887 0.2001 ( 4712 PWs) bands (ev): -51.5140 -51.5140 -51.5137 -51.5137 -23.5623 -23.5623 -23.5604 -23.5604 -23.3892 -23.3892 -23.3887 -23.3887 -23.3772 -23.3772 -23.3731 -23.3731 2.1113 2.1113 2.2321 2.2321 3.4930 3.4930 3.6416 3.6416 8.0756 8.0756 k = 0.5000 0.2887 0.1883 ( 4716 PWs) bands (ev): -51.5140 -51.5140 -51.5137 -51.5137 -23.5624 -23.5624 -23.5603 -23.5603 -23.3891 -23.3891 -23.3887 -23.3887 -23.3775 -23.3775 -23.3730 -23.3730 2.0677 2.0677 2.1879 2.1879 3.5876 3.5876 3.7374 3.7374 7.9415 7.9415 k = 0.5000 0.2887 0.1766 ( 4720 PWs) bands (ev): -51.5140 -51.5140 -51.5137 -51.5137 -23.5624 -23.5624 -23.5602 -23.5602 -23.3891 -23.3891 -23.3886 -23.3886 -23.3778 -23.3778 -23.3729 -23.3729 2.0265 2.0265 2.1458 2.1458 3.6857 3.6857 3.8359 3.8359 7.8055 7.8055 k = 0.5000 0.2887 0.1648 ( 4720 PWs) bands (ev): -51.5140 -51.5140 -51.5137 -51.5137 -23.5625 -23.5625 -23.5601 -23.5601 -23.3890 -23.3890 -23.3885 -23.3885 -23.3781 -23.3781 -23.3728 -23.3728 1.9876 1.9876 2.1060 2.1060 3.7870 3.7870 3.9369 3.9369 7.6681 7.6681 k = 0.5000 0.2887 0.1530 ( 4716 PWs) bands (ev): -51.5140 -51.5140 -51.5137 -51.5137 -23.5626 -23.5626 -23.5600 -23.5600 -23.3889 -23.3889 -23.3884 -23.3884 -23.3784 -23.3784 -23.3727 -23.3727 1.9513 1.9513 2.0686 2.0686 3.8913 3.8913 4.0404 4.0404 7.5296 7.5296 k = 0.5000 0.2887 0.1413 ( 4714 PWs) bands (ev): -51.5140 -51.5140 -51.5137 -51.5137 -23.5627 -23.5627 -23.5599 -23.5599 -23.3888 -23.3888 -23.3883 -23.3883 -23.3787 -23.3787 -23.3726 -23.3726 1.9175 1.9175 2.0337 2.0337 3.9985 3.9985 4.1460 4.1460 7.3905 7.3905 k = 0.5000 0.2887 0.1295 ( 4714 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5627 -23.5627 -23.5598 -23.5598 -23.3887 -23.3887 -23.3882 -23.3882 -23.3789 -23.3789 -23.3725 -23.3725 1.8864 1.8864 2.0015 2.0015 4.1086 4.1086 4.2537 4.2537 7.2511 7.2511 k = 0.5000 0.2887 0.1177 ( 4718 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5628 -23.5628 -23.5597 -23.5597 -23.3886 -23.3886 -23.3881 -23.3881 -23.3792 -23.3792 -23.3725 -23.3725 1.8579 1.8579 1.9719 1.9719 4.2214 4.2214 4.3632 4.3632 7.1118 7.1118 k = 0.5000 0.2887 0.1059 ( 4726 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5628 -23.5628 -23.5597 -23.5597 -23.3886 -23.3886 -23.3880 -23.3880 -23.3795 -23.3795 -23.3725 -23.3725 1.8320 1.8320 1.9450 1.9450 4.3366 4.3366 4.4742 4.4742 6.9570 6.9570 k = 0.5000 0.2887 0.0942 ( 4722 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5629 -23.5629 -23.5596 -23.5596 -23.3885 -23.3885 -23.3879 -23.3879 -23.3798 -23.3798 -23.3724 -23.3724 1.8088 1.8088 1.9209 1.9209 4.4543 4.4543 4.5865 4.5865 6.7949 6.7949 k = 0.5000 0.2887 0.0824 ( 4722 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5629 -23.5629 -23.5595 -23.5595 -23.3884 -23.3884 -23.3878 -23.3878 -23.3800 -23.3800 -23.3724 -23.3724 1.7884 1.7884 1.8995 1.8995 4.5741 4.5741 4.6994 4.6994 6.6358 6.6358 k = 0.5000 0.2887 0.0706 ( 4738 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5595 -23.5595 -23.3884 -23.3884 -23.3877 -23.3877 -23.3803 -23.3803 -23.3724 -23.3724 1.7706 1.7706 1.8810 1.8810 4.6957 4.6957 4.8124 4.8124 6.4800 6.4800 k = 0.5000 0.2887 0.0589 ( 4724 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3883 -23.3883 -23.3876 -23.3876 -23.3804 -23.3804 -23.3724 -23.3724 1.7556 1.7556 1.8652 1.8652 4.8184 4.8184 4.9241 4.9241 6.3283 6.3283 k = 0.5000 0.2887 0.0471 ( 4728 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3882 -23.3882 -23.3876 -23.3876 -23.3806 -23.3806 -23.3723 -23.3723 1.7432 1.7432 1.8524 1.8524 4.9412 4.9412 5.0327 5.0327 6.1817 6.1817 k = 0.5000 0.2887 0.0353 ( 4724 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3881 -23.3881 -23.3875 -23.3875 -23.3807 -23.3807 -23.3723 -23.3723 1.7337 1.7337 1.8423 1.8423 5.0617 5.0617 5.1346 5.1346 6.0426 6.0426 k = 0.5000 0.2887 0.0235 ( 4726 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3881 -23.3881 -23.3875 -23.3875 -23.3808 -23.3808 -23.3724 -23.3724 1.7268 1.7268 1.8352 1.8352 5.1748 5.1748 5.2235 5.2235 5.9163 5.9163 k = 0.5000 0.2887 0.0118 ( 4730 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3881 -23.3881 -23.3875 -23.3875 -23.3808 -23.3808 -23.3724 -23.3724 1.7227 1.7227 1.8309 1.8309 5.2667 5.2667 5.2878 5.2878 5.8165 5.8165 k = 0.5000 0.2887-0.0000 ( 4730 PWs) bands (ev): -51.5141 -51.5141 -51.5136 -51.5136 -23.5630 -23.5630 -23.5594 -23.5594 -23.3881 -23.3881 -23.3875 -23.3875 -23.3809 -23.3809 -23.3724 -23.3724 1.7213 1.7213 1.8294 1.8294 5.3059 5.3059 5.3121 5.3121 5.7747 5.7747 k = 0.3333 0.5774-0.0000 ( 4731 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5620 -23.5620 -23.5620 -23.5620 -23.3871 -23.3871 -23.3860 -23.3860 -23.3811 -23.3811 -23.3798 -23.3798 2.7740 2.7740 2.9604 2.9604 2.9639 2.9639 6.3817 6.3817 6.3817 6.3817 k = 0.3333 0.5774 0.0118 ( 4716 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5620 -23.5620 -23.5620 -23.5620 -23.3871 -23.3871 -23.3860 -23.3860 -23.3810 -23.3810 -23.3797 -23.3797 2.7753 2.7753 2.9617 2.9617 2.9652 2.9652 6.3578 6.3578 6.3686 6.3686 k = 0.3333 0.5774 0.0235 ( 4704 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5619 -23.5619 -23.5619 -23.5619 -23.3871 -23.3871 -23.3859 -23.3859 -23.3810 -23.3810 -23.3796 -23.3796 2.7794 2.7794 2.9655 2.9655 2.9691 2.9691 6.2193 6.2193 6.3309 6.3309 k = 0.3333 0.5774 0.0353 ( 4704 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5619 -23.5619 -23.5619 -23.5619 -23.3872 -23.3872 -23.3859 -23.3859 -23.3810 -23.3810 -23.3795 -23.3795 2.7863 2.7863 2.9720 2.9720 2.9755 2.9755 6.0825 6.0825 6.2728 6.2728 k = 0.3333 0.5774 0.0471 ( 4704 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5619 -23.5619 -23.5619 -23.5619 -23.3874 -23.3874 -23.3858 -23.3858 -23.3810 -23.3810 -23.3794 -23.3794 2.7959 2.7959 2.9810 2.9810 2.9845 2.9845 5.9483 5.9483 6.1992 6.1992 k = 0.3333 0.5774 0.0589 ( 4689 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5619 -23.5619 -23.5619 -23.5619 -23.3876 -23.3876 -23.3858 -23.3858 -23.3809 -23.3809 -23.3791 -23.3791 2.8082 2.8082 2.9925 2.9925 2.9960 2.9960 5.8169 5.8169 6.1145 6.1145 k = 0.3333 0.5774 0.0706 ( 4680 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5619 -23.5619 -23.5618 -23.5618 -23.3878 -23.3878 -23.3857 -23.3857 -23.3808 -23.3808 -23.3789 -23.3789 2.8233 2.8233 3.0065 3.0065 3.0101 3.0101 5.6882 5.6882 6.0226 6.0226 k = 0.3333 0.5774 0.0824 ( 4698 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5620 -23.5620 -23.5619 -23.5619 -23.3881 -23.3881 -23.3857 -23.3857 -23.3809 -23.3809 -23.3787 -23.3787 2.8411 2.8411 3.0230 3.0230 3.0266 3.0266 5.5624 5.5624 5.9260 5.9260 k = 0.3333 0.5774 0.0942 ( 4701 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5620 -23.5620 -23.5619 -23.5619 -23.3884 -23.3884 -23.3858 -23.3858 -23.3809 -23.3809 -23.3785 -23.3785 2.8616 2.8616 3.0419 3.0419 3.0455 3.0455 5.4393 5.4393 5.8267 5.8267 k = 0.3333 0.5774 0.1059 ( 4707 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5620 -23.5620 -23.5619 -23.5619 -23.3887 -23.3887 -23.3858 -23.3858 -23.3809 -23.3809 -23.3782 -23.3782 2.8849 2.8849 3.0631 3.0631 3.0668 3.0668 5.3190 5.3190 5.7263 5.7263 k = 0.3333 0.5774 0.1177 ( 4707 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5621 -23.5621 -23.5620 -23.5620 -23.3889 -23.3889 -23.3858 -23.3858 -23.3809 -23.3809 -23.3780 -23.3780 2.9110 2.9110 3.0866 3.0866 3.0903 3.0903 5.2016 5.2016 5.6258 5.6258 k = 0.3333 0.5774 0.1295 ( 4713 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5621 -23.5621 -23.5620 -23.5620 -23.3892 -23.3892 -23.3858 -23.3858 -23.3809 -23.3809 -23.3777 -23.3777 2.9398 2.9398 3.1124 3.1124 3.1160 3.1160 5.0869 5.0869 5.5260 5.5260 k = 0.3333 0.5774 0.1413 ( 4719 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5622 -23.5622 -23.5620 -23.5620 -23.3895 -23.3895 -23.3858 -23.3858 -23.3809 -23.3809 -23.3775 -23.3775 2.9713 2.9713 3.1401 3.1401 3.1438 3.1438 4.9750 4.9750 5.4277 5.4277 k = 0.3333 0.5774 0.1530 ( 4713 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5622 -23.5622 -23.5620 -23.5620 -23.3897 -23.3897 -23.3858 -23.3858 -23.3808 -23.3808 -23.3772 -23.3772 3.0056 3.0056 3.1698 3.1698 3.1736 3.1736 4.8659 4.8659 5.3312 5.3312 k = 0.3333 0.5774 0.1648 ( 4713 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5622 -23.5622 -23.5620 -23.5620 -23.3899 -23.3899 -23.3858 -23.3858 -23.3808 -23.3808 -23.3770 -23.3770 3.0426 3.0426 3.2012 3.2012 3.2050 3.2050 4.7597 4.7597 5.2373 5.2373 k = 0.3333 0.5774 0.1766 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5622 -23.5622 -23.5620 -23.5620 -23.3901 -23.3901 -23.3858 -23.3858 -23.3807 -23.3807 -23.3767 -23.3767 3.0823 3.0823 3.2342 3.2342 3.2380 3.2380 4.6562 4.6562 5.1462 5.1462 k = 0.3333 0.5774 0.1883 ( 4716 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5620 -23.5620 -23.3904 -23.3904 -23.3858 -23.3858 -23.3807 -23.3807 -23.3766 -23.3766 3.1249 3.1249 3.2683 3.2683 3.2722 3.2722 4.5555 4.5555 5.0586 5.0586 k = 0.3333 0.5774 0.2001 ( 4722 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5620 -23.5620 -23.3906 -23.3906 -23.3859 -23.3859 -23.3807 -23.3807 -23.3764 -23.3764 3.1701 3.1701 3.3033 3.3033 3.3073 3.3073 4.4576 4.4576 4.9749 4.9749 k = 0.3333 0.5774 0.2119 ( 4728 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5621 -23.5621 -23.3908 -23.3908 -23.3859 -23.3859 -23.3807 -23.3807 -23.3762 -23.3762 3.2182 3.2182 3.3387 3.3387 3.3428 3.3428 4.3625 4.3625 4.8956 4.8956 k = 0.3333 0.5774 0.2237 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5620 -23.5620 -23.3909 -23.3909 -23.3858 -23.3858 -23.3806 -23.3806 -23.3760 -23.3760 3.2689 3.2689 3.3739 3.3739 3.3781 3.3781 4.2702 4.2702 4.8215 4.8215 k = 0.3333 0.5774 0.2354 ( 4722 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3910 -23.3910 -23.3859 -23.3859 -23.3807 -23.3807 -23.3759 -23.3759 3.3225 3.3225 3.4082 3.4082 3.4124 3.4124 4.1806 4.1806 4.7535 4.7535 k = 0.3333 0.5774 0.2472 ( 4704 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5623 -23.5623 -23.5620 -23.5620 -23.3911 -23.3911 -23.3858 -23.3858 -23.3806 -23.3806 -23.3757 -23.3757 3.3788 3.3788 3.4406 3.4406 3.4449 3.4449 4.0939 4.0939 4.6924 4.6924 k = 0.3333 0.5774 0.2590 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3912 -23.3912 -23.3858 -23.3858 -23.3806 -23.3806 -23.3756 -23.3756 3.4378 3.4378 3.4699 3.4699 3.4744 3.4744 4.0099 4.0099 4.6395 4.6395 k = 0.3333 0.5774 0.2707 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3913 -23.3913 -23.3859 -23.3859 -23.3806 -23.3806 -23.3755 -23.3755 3.4949 3.4949 3.4981 3.4981 3.5010 3.5010 3.9287 3.9287 4.5962 4.5962 k = 0.3333 0.5774 0.2825 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3859 -23.3859 -23.3806 -23.3806 -23.3754 -23.3754 3.5142 3.5142 3.5187 3.5187 3.5643 3.5643 3.8503 3.8503 4.5638 4.5638 k = 0.3333 0.5774 0.2943 ( 4707 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3858 -23.3858 -23.3806 -23.3806 -23.3754 -23.3754 3.5264 3.5264 3.5310 3.5310 3.6316 3.6316 3.7746 3.7746 4.5437 4.5437 k = 0.3333 0.5774 0.3061 ( 4710 PWs) bands (ev): -51.5137 -51.5137 -51.5137 -51.5137 -23.5624 -23.5624 -23.5620 -23.5620 -23.3914 -23.3914 -23.3858 -23.3858 -23.3806 -23.3806 -23.3754 -23.3754 3.5306 3.5306 3.5352 3.5352 3.6993 3.6993 3.7041 3.7041 4.5369 4.5369 Writing output data file Na.save init_run : 0.05s CPU 0.15s WALL ( 1 calls) electrons : 46.94s CPU 47.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 46.94s CPU 47.89s 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 : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 353 calls) cegterg : 42.76s CPU 43.36s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 24.54s CPU 25.27s WALL ( 6128 calls) s_psi : 0.24s CPU 0.26s WALL ( 6128 calls) g_psi : 0.10s CPU 0.09s WALL ( 5370 calls) cdiaghg : 17.48s CPU 17.40s WALL ( 5723 calls) cegterg:over : 1.30s CPU 1.39s WALL ( 5370 calls) cegterg:upda : 1.21s CPU 1.27s WALL ( 5370 calls) cegterg:last : 0.56s CPU 0.58s WALL ( 792 calls) cdiaghg:chol : 0.86s CPU 0.91s WALL ( 5723 calls) cdiaghg:inve : 0.36s CPU 0.35s WALL ( 5723 calls) cdiaghg:para : 1.02s CPU 1.10s WALL ( 11446 calls) Called by h_psi: h_psi:vloc : 23.63s CPU 24.41s WALL ( 6128 calls) h_psi:vnl : 0.89s CPU 0.81s WALL ( 6128 calls) add_vuspsi : 0.34s CPU 0.30s WALL ( 6128 calls) General routines calbec : 0.53s CPU 0.49s WALL ( 6128 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 22.32s CPU 23.04s WALL ( 289668 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.15s WALL ( 706 calls) Parallel routines fft_scatter : 7.98s CPU 8.46s WALL ( 289691 calls) PWSCF : 0m56.40s CPU 1m 6.37s WALL This run was terminated on: 20:55:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=