Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:36: 9 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: ./Li.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 26 26 7 1120 1120 171 Max 27 27 8 1133 1133 182 Sum 967 967 283 40581 40581 6339 bravais-lattice index = 14 lattice parameter (alat) = 5.8789 a.u. unit-cell volume = 288.0719 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 6.00 number of Kohn-Sham states= 14 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.878938 celldm(2)= 1.000000 celldm(3)= 1.637094 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 1.637094 ) 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 0.610838 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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 ) ( 0.8185471 ) 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= 424 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0084746 0.0048928 -0.0000000), wk = 0.0023585 k( 3) = ( 0.0169491 0.0097856 -0.0000000), wk = 0.0023585 k( 4) = ( 0.0254237 0.0146784 -0.0000000), wk = 0.0023585 k( 5) = ( 0.0338983 0.0195712 -0.0000000), wk = 0.0023585 k( 6) = ( 0.0423729 0.0244640 -0.0000000), wk = 0.0023585 k( 7) = ( 0.0508475 0.0293568 -0.0000000), wk = 0.0023585 k( 8) = ( 0.0593220 0.0342496 -0.0000000), wk = 0.0023585 k( 9) = ( 0.0677966 0.0391424 -0.0000000), wk = 0.0023585 k( 10) = ( 0.0762712 0.0440352 -0.0000000), wk = 0.0023585 k( 11) = ( 0.0847458 0.0489280 -0.0000000), wk = 0.0023585 k( 12) = ( 0.0932203 0.0538208 -0.0000000), wk = 0.0023585 k( 13) = ( 0.1016949 0.0587136 -0.0000000), wk = 0.0023585 k( 14) = ( 0.1101695 0.0636064 -0.0000000), wk = 0.0023585 k( 15) = ( 0.1186441 0.0684992 -0.0000000), wk = 0.0023585 k( 16) = ( 0.1271186 0.0733920 -0.0000000), wk = 0.0023585 k( 17) = ( 0.1355932 0.0782848 -0.0000000), wk = 0.0023585 k( 18) = ( 0.1440678 0.0831776 -0.0000000), wk = 0.0023585 k( 19) = ( 0.1525424 0.0880704 -0.0000000), wk = 0.0023585 k( 20) = ( 0.1610169 0.0929632 -0.0000000), wk = 0.0023585 k( 21) = ( 0.1694915 0.0978560 -0.0000000), wk = 0.0023585 k( 22) = ( 0.1779661 0.1027488 -0.0000000), wk = 0.0023585 k( 23) = ( 0.1864407 0.1076416 -0.0000000), wk = 0.0023585 k( 24) = ( 0.1949153 0.1125344 -0.0000000), wk = 0.0023585 k( 25) = ( 0.2033898 0.1174272 -0.0000000), wk = 0.0023585 k( 26) = ( 0.2118644 0.1223200 -0.0000000), wk = 0.0023585 k( 27) = ( 0.2203390 0.1272128 -0.0000000), wk = 0.0023585 k( 28) = ( 0.2288136 0.1321056 -0.0000000), wk = 0.0023585 k( 29) = ( 0.2372881 0.1369984 -0.0000000), wk = 0.0023585 k( 30) = ( 0.2457627 0.1418912 -0.0000000), wk = 0.0023585 k( 31) = ( 0.2542373 0.1467840 -0.0000000), wk = 0.0023585 k( 32) = ( 0.2627119 0.1516768 -0.0000000), wk = 0.0023585 k( 33) = ( 0.2711864 0.1565696 -0.0000000), wk = 0.0023585 k( 34) = ( 0.2796610 0.1614624 -0.0000000), wk = 0.0023585 k( 35) = ( 0.2881356 0.1663552 -0.0000000), wk = 0.0023585 k( 36) = ( 0.2966102 0.1712480 -0.0000000), wk = 0.0023585 k( 37) = ( 0.3050848 0.1761408 -0.0000000), wk = 0.0023585 k( 38) = ( 0.3135593 0.1810336 -0.0000000), wk = 0.0023585 k( 39) = ( 0.3220339 0.1859264 -0.0000000), wk = 0.0023585 k( 40) = ( 0.3305085 0.1908192 -0.0000000), wk = 0.0023585 k( 41) = ( 0.3389831 0.1957120 -0.0000000), wk = 0.0023585 k( 42) = ( 0.3474576 0.2006048 -0.0000000), wk = 0.0023585 k( 43) = ( 0.3559322 0.2054976 -0.0000000), wk = 0.0023585 k( 44) = ( 0.3644068 0.2103904 -0.0000000), wk = 0.0023585 k( 45) = ( 0.3728814 0.2152832 -0.0000000), wk = 0.0023585 k( 46) = ( 0.3813559 0.2201759 -0.0000000), wk = 0.0023585 k( 47) = ( 0.3898305 0.2250687 -0.0000000), wk = 0.0023585 k( 48) = ( 0.3983051 0.2299615 -0.0000000), wk = 0.0023585 k( 49) = ( 0.4067797 0.2348543 -0.0000000), wk = 0.0023585 k( 50) = ( 0.4152542 0.2397471 -0.0000000), wk = 0.0023585 k( 51) = ( 0.4237288 0.2446399 -0.0000000), wk = 0.0023585 k( 52) = ( 0.4322034 0.2495327 -0.0000000), wk = 0.0023585 k( 53) = ( 0.4406780 0.2544255 -0.0000000), wk = 0.0023585 k( 54) = ( 0.4491525 0.2593183 -0.0000000), wk = 0.0023585 k( 55) = ( 0.4576271 0.2642111 -0.0000000), wk = 0.0023585 k( 56) = ( 0.4661017 0.2691039 -0.0000000), wk = 0.0023585 k( 57) = ( 0.4745763 0.2739967 -0.0000000), wk = 0.0023585 k( 58) = ( 0.4830508 0.2788895 -0.0000000), wk = 0.0023585 k( 59) = ( 0.4915254 0.2837823 -0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023585 k( 62) = ( 0.4950980 0.2971656 -0.0000000), wk = 0.0023585 k( 63) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0023585 k( 64) = ( 0.4852941 0.3141465 -0.0000000), wk = 0.0023585 k( 65) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0023585 k( 66) = ( 0.4754902 0.3311274 -0.0000000), wk = 0.0023585 k( 67) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0023585 k( 68) = ( 0.4656863 0.3481082 -0.0000000), wk = 0.0023585 k( 69) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0023585 k( 70) = ( 0.4558823 0.3650891 -0.0000000), wk = 0.0023585 k( 71) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0023585 k( 72) = ( 0.4460784 0.3820700 -0.0000000), wk = 0.0023585 k( 73) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0023585 k( 74) = ( 0.4362745 0.3990509 -0.0000000), wk = 0.0023585 k( 75) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0023585 k( 76) = ( 0.4264706 0.4160318 -0.0000000), wk = 0.0023585 k( 77) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0023585 k( 78) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0023585 k( 79) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0023585 k( 80) = ( 0.4068627 0.4499936 -0.0000000), wk = 0.0023585 k( 81) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0023585 k( 82) = ( 0.3970588 0.4669745 -0.0000000), wk = 0.0023585 k( 83) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0023585 k( 84) = ( 0.3872549 0.4839554 -0.0000000), wk = 0.0023585 k( 85) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0023585 k( 86) = ( 0.3774510 0.5009363 -0.0000000), wk = 0.0023585 k( 87) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0023585 k( 88) = ( 0.3676471 0.5179172 -0.0000000), wk = 0.0023585 k( 89) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0023585 k( 90) = ( 0.3578431 0.5348981 -0.0000000), wk = 0.0023585 k( 91) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0023585 k( 92) = ( 0.3480392 0.5518789 -0.0000000), wk = 0.0023585 k( 93) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0023585 k( 94) = ( 0.3382353 0.5688598 -0.0000000), wk = 0.0023585 k( 95) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023585 k( 96) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023585 k( 97) = ( 0.3284314 0.5688598 -0.0000000), wk = 0.0023585 k( 98) = ( 0.3235294 0.5603694 -0.0000000), wk = 0.0023585 k( 99) = ( 0.3186274 0.5518789 -0.0000000), wk = 0.0023585 k( 100) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0023585 k( 101) = ( 0.3088235 0.5348980 -0.0000000), wk = 0.0023585 k( 102) = ( 0.3039216 0.5264076 -0.0000000), wk = 0.0023585 k( 103) = ( 0.2990196 0.5179172 -0.0000000), wk = 0.0023585 k( 104) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0023585 k( 105) = ( 0.2892157 0.5009363 -0.0000000), wk = 0.0023585 k( 106) = ( 0.2843137 0.4924458 -0.0000000), wk = 0.0023585 k( 107) = ( 0.2794118 0.4839554 -0.0000000), wk = 0.0023585 k( 108) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0023585 k( 109) = ( 0.2696078 0.4669745 -0.0000000), wk = 0.0023585 k( 110) = ( 0.2647059 0.4584840 -0.0000000), wk = 0.0023585 k( 111) = ( 0.2598039 0.4499936 -0.0000000), wk = 0.0023585 k( 112) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0023585 k( 113) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0023585 k( 114) = ( 0.2450980 0.4245223 -0.0000000), wk = 0.0023585 k( 115) = ( 0.2401961 0.4160318 -0.0000000), wk = 0.0023585 k( 116) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0023585 k( 117) = ( 0.2303922 0.3990509 -0.0000000), wk = 0.0023585 k( 118) = ( 0.2254902 0.3905605 -0.0000000), wk = 0.0023585 k( 119) = ( 0.2205882 0.3820700 -0.0000000), wk = 0.0023585 k( 120) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0023585 k( 121) = ( 0.2107843 0.3650891 -0.0000000), wk = 0.0023585 k( 122) = ( 0.2058823 0.3565987 -0.0000000), wk = 0.0023585 k( 123) = ( 0.2009804 0.3481082 -0.0000000), wk = 0.0023585 k( 124) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0023585 k( 125) = ( 0.1911765 0.3311274 -0.0000000), wk = 0.0023585 k( 126) = ( 0.1862745 0.3226369 -0.0000000), wk = 0.0023585 k( 127) = ( 0.1813725 0.3141465 -0.0000000), wk = 0.0023585 k( 128) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0023585 k( 129) = ( 0.1715686 0.2971656 -0.0000000), wk = 0.0023585 k( 130) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0023585 k( 131) = ( 0.1617647 0.2801847 -0.0000000), wk = 0.0023585 k( 132) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0023585 k( 133) = ( 0.1519608 0.2632038 -0.0000000), wk = 0.0023585 k( 134) = ( 0.1470588 0.2547133 -0.0000000), wk = 0.0023585 k( 135) = ( 0.1421569 0.2462229 -0.0000000), wk = 0.0023585 k( 136) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0023585 k( 137) = ( 0.1323529 0.2292420 -0.0000000), wk = 0.0023585 k( 138) = ( 0.1274510 0.2207516 -0.0000000), wk = 0.0023585 k( 139) = ( 0.1225490 0.2122611 -0.0000000), wk = 0.0023585 k( 140) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0023585 k( 141) = ( 0.1127451 0.1952802 -0.0000000), wk = 0.0023585 k( 142) = ( 0.1078431 0.1867898 -0.0000000), wk = 0.0023585 k( 143) = ( 0.1029412 0.1782994 -0.0000000), wk = 0.0023585 k( 144) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0023585 k( 145) = ( 0.0931373 0.1613184 -0.0000000), wk = 0.0023585 k( 146) = ( 0.0882353 0.1528280 -0.0000000), wk = 0.0023585 k( 147) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0023585 k( 148) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0023585 k( 149) = ( 0.0735294 0.1273567 -0.0000000), wk = 0.0023585 k( 150) = ( 0.0686275 0.1188662 -0.0000000), wk = 0.0023585 k( 151) = ( 0.0637255 0.1103758 -0.0000000), wk = 0.0023585 k( 152) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0023585 k( 153) = ( 0.0539216 0.0933949 -0.0000000), wk = 0.0023585 k( 154) = ( 0.0490196 0.0849045 -0.0000000), wk = 0.0023585 k( 155) = ( 0.0441177 0.0764140 -0.0000000), wk = 0.0023585 k( 156) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0023585 k( 157) = ( 0.0343137 0.0594331 -0.0000000), wk = 0.0023585 k( 158) = ( 0.0294118 0.0509427 -0.0000000), wk = 0.0023585 k( 159) = ( 0.0245098 0.0424522 -0.0000000), wk = 0.0023585 k( 160) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0023585 k( 161) = ( 0.0147059 0.0254713 -0.0000000), wk = 0.0023585 k( 162) = ( 0.0098039 0.0169809 -0.0000000), wk = 0.0023585 k( 163) = ( 0.0049020 0.0084904 -0.0000000), wk = 0.0023585 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 166) = ( 0.0000000 0.0000000 0.0098522), wk = 0.0023585 k( 167) = ( 0.0000000 0.0000000 0.0197045), wk = 0.0023585 k( 168) = ( 0.0000000 0.0000000 0.0295567), wk = 0.0023585 k( 169) = ( 0.0000000 0.0000000 0.0394089), wk = 0.0023585 k( 170) = ( 0.0000000 0.0000000 0.0492612), wk = 0.0023585 k( 171) = ( 0.0000000 0.0000000 0.0591134), wk = 0.0023585 k( 172) = ( 0.0000000 0.0000000 0.0689656), wk = 0.0023585 k( 173) = ( 0.0000000 0.0000000 0.0788179), wk = 0.0023585 k( 174) = ( 0.0000000 0.0000000 0.0886701), wk = 0.0023585 k( 175) = ( 0.0000000 0.0000000 0.0985223), wk = 0.0023585 k( 176) = ( 0.0000000 0.0000000 0.1083746), wk = 0.0023585 k( 177) = ( 0.0000000 0.0000000 0.1182268), wk = 0.0023585 k( 178) = ( 0.0000000 0.0000000 0.1280790), wk = 0.0023585 k( 179) = ( 0.0000000 0.0000000 0.1379313), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.1477835), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.1576357), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.1674880), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.1773402), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.1871924), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.1970446), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.2068969), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.2167491), wk = 0.0023585 k( 188) = ( 0.0000000 0.0000000 0.2266013), wk = 0.0023585 k( 189) = ( 0.0000000 0.0000000 0.2364536), wk = 0.0023585 k( 190) = ( 0.0000000 0.0000000 0.2463058), wk = 0.0023585 k( 191) = ( 0.0000000 0.0000000 0.2561580), wk = 0.0023585 k( 192) = ( 0.0000000 0.0000000 0.2660103), wk = 0.0023585 k( 193) = ( 0.0000000 0.0000000 0.2758625), wk = 0.0023585 k( 194) = ( 0.0000000 0.0000000 0.2857147), wk = 0.0023585 k( 195) = ( 0.0000000 0.0000000 0.2955670), wk = 0.0023585 k( 196) = ( 0.0000000 0.0000000 0.3054192), wk = 0.0023585 k( 197) = ( 0.0000000 0.0000000 0.3054192), wk = 0.0023585 k( 198) = ( 0.0084746 0.0048928 0.3054192), wk = 0.0023585 k( 199) = ( 0.0169491 0.0097856 0.3054192), wk = 0.0023585 k( 200) = ( 0.0254237 0.0146784 0.3054192), wk = 0.0023585 k( 201) = ( 0.0338983 0.0195712 0.3054192), wk = 0.0023585 k( 202) = ( 0.0423729 0.0244640 0.3054192), wk = 0.0023585 k( 203) = ( 0.0508475 0.0293568 0.3054192), wk = 0.0023585 k( 204) = ( 0.0593220 0.0342496 0.3054192), wk = 0.0023585 k( 205) = ( 0.0677966 0.0391424 0.3054192), wk = 0.0023585 k( 206) = ( 0.0762712 0.0440352 0.3054192), wk = 0.0023585 k( 207) = ( 0.0847458 0.0489280 0.3054192), wk = 0.0023585 k( 208) = ( 0.0932203 0.0538208 0.3054192), wk = 0.0023585 k( 209) = ( 0.1016949 0.0587136 0.3054192), wk = 0.0023585 k( 210) = ( 0.1101695 0.0636064 0.3054192), wk = 0.0023585 k( 211) = ( 0.1186441 0.0684992 0.3054192), wk = 0.0023585 k( 212) = ( 0.1271186 0.0733920 0.3054192), wk = 0.0023585 k( 213) = ( 0.1355932 0.0782848 0.3054192), wk = 0.0023585 k( 214) = ( 0.1440678 0.0831776 0.3054192), wk = 0.0023585 k( 215) = ( 0.1525424 0.0880704 0.3054192), wk = 0.0023585 k( 216) = ( 0.1610169 0.0929632 0.3054192), wk = 0.0023585 k( 217) = ( 0.1694915 0.0978560 0.3054192), wk = 0.0023585 k( 218) = ( 0.1779661 0.1027488 0.3054192), wk = 0.0023585 k( 219) = ( 0.1864407 0.1076416 0.3054192), wk = 0.0023585 k( 220) = ( 0.1949153 0.1125344 0.3054192), wk = 0.0023585 k( 221) = ( 0.2033898 0.1174272 0.3054192), wk = 0.0023585 k( 222) = ( 0.2118644 0.1223200 0.3054192), wk = 0.0023585 k( 223) = ( 0.2203390 0.1272128 0.3054192), wk = 0.0023585 k( 224) = ( 0.2288136 0.1321056 0.3054192), wk = 0.0023585 k( 225) = ( 0.2372881 0.1369984 0.3054192), wk = 0.0023585 k( 226) = ( 0.2457627 0.1418912 0.3054192), wk = 0.0023585 k( 227) = ( 0.2542373 0.1467840 0.3054192), wk = 0.0023585 k( 228) = ( 0.2627119 0.1516768 0.3054192), wk = 0.0023585 k( 229) = ( 0.2711864 0.1565696 0.3054192), wk = 0.0023585 k( 230) = ( 0.2796610 0.1614624 0.3054192), wk = 0.0023585 k( 231) = ( 0.2881356 0.1663552 0.3054192), wk = 0.0023585 k( 232) = ( 0.2966102 0.1712480 0.3054192), wk = 0.0023585 k( 233) = ( 0.3050848 0.1761408 0.3054192), wk = 0.0023585 k( 234) = ( 0.3135593 0.1810336 0.3054192), wk = 0.0023585 k( 235) = ( 0.3220339 0.1859264 0.3054192), wk = 0.0023585 k( 236) = ( 0.3305085 0.1908192 0.3054192), wk = 0.0023585 k( 237) = ( 0.3389831 0.1957120 0.3054192), wk = 0.0023585 k( 238) = ( 0.3474576 0.2006048 0.3054192), wk = 0.0023585 k( 239) = ( 0.3559322 0.2054976 0.3054192), wk = 0.0023585 k( 240) = ( 0.3644068 0.2103904 0.3054192), wk = 0.0023585 k( 241) = ( 0.3728814 0.2152832 0.3054192), wk = 0.0023585 k( 242) = ( 0.3813559 0.2201759 0.3054192), wk = 0.0023585 k( 243) = ( 0.3898305 0.2250687 0.3054192), wk = 0.0023585 k( 244) = ( 0.3983051 0.2299615 0.3054192), wk = 0.0023585 k( 245) = ( 0.4067797 0.2348543 0.3054192), wk = 0.0023585 k( 246) = ( 0.4152542 0.2397471 0.3054192), wk = 0.0023585 k( 247) = ( 0.4237288 0.2446399 0.3054192), wk = 0.0023585 k( 248) = ( 0.4322034 0.2495327 0.3054192), wk = 0.0023585 k( 249) = ( 0.4406780 0.2544255 0.3054192), wk = 0.0023585 k( 250) = ( 0.4491525 0.2593183 0.3054192), wk = 0.0023585 k( 251) = ( 0.4576271 0.2642111 0.3054192), wk = 0.0023585 k( 252) = ( 0.4661017 0.2691039 0.3054192), wk = 0.0023585 k( 253) = ( 0.4745763 0.2739967 0.3054192), wk = 0.0023585 k( 254) = ( 0.4830508 0.2788895 0.3054192), wk = 0.0023585 k( 255) = ( 0.4915254 0.2837823 0.3054192), wk = 0.0023585 k( 256) = ( 0.5000000 0.2886751 0.3054192), wk = 0.0023585 k( 257) = ( 0.5000000 0.2886751 0.3054192), wk = 0.0023585 k( 258) = ( 0.4950980 0.2971656 0.3054192), wk = 0.0023585 k( 259) = ( 0.4901961 0.3056560 0.3054192), wk = 0.0023585 k( 260) = ( 0.4852941 0.3141465 0.3054192), wk = 0.0023585 k( 261) = ( 0.4803922 0.3226369 0.3054192), wk = 0.0023585 k( 262) = ( 0.4754902 0.3311274 0.3054192), wk = 0.0023585 k( 263) = ( 0.4705882 0.3396178 0.3054192), wk = 0.0023585 k( 264) = ( 0.4656863 0.3481082 0.3054192), wk = 0.0023585 k( 265) = ( 0.4607843 0.3565987 0.3054192), wk = 0.0023585 k( 266) = ( 0.4558823 0.3650891 0.3054192), wk = 0.0023585 k( 267) = ( 0.4509804 0.3735796 0.3054192), wk = 0.0023585 k( 268) = ( 0.4460784 0.3820700 0.3054192), wk = 0.0023585 k( 269) = ( 0.4411765 0.3905605 0.3054192), wk = 0.0023585 k( 270) = ( 0.4362745 0.3990509 0.3054192), wk = 0.0023585 k( 271) = ( 0.4313726 0.4075414 0.3054192), wk = 0.0023585 k( 272) = ( 0.4264706 0.4160318 0.3054192), wk = 0.0023585 k( 273) = ( 0.4215686 0.4245223 0.3054192), wk = 0.0023585 k( 274) = ( 0.4166667 0.4330127 0.3054192), wk = 0.0023585 k( 275) = ( 0.4117647 0.4415032 0.3054192), wk = 0.0023585 k( 276) = ( 0.4068627 0.4499936 0.3054192), wk = 0.0023585 k( 277) = ( 0.4019608 0.4584840 0.3054192), wk = 0.0023585 k( 278) = ( 0.3970588 0.4669745 0.3054192), wk = 0.0023585 k( 279) = ( 0.3921569 0.4754649 0.3054192), wk = 0.0023585 k( 280) = ( 0.3872549 0.4839554 0.3054192), wk = 0.0023585 k( 281) = ( 0.3823529 0.4924458 0.3054192), wk = 0.0023585 k( 282) = ( 0.3774510 0.5009363 0.3054192), wk = 0.0023585 k( 283) = ( 0.3725490 0.5094267 0.3054192), wk = 0.0023585 k( 284) = ( 0.3676471 0.5179172 0.3054192), wk = 0.0023585 k( 285) = ( 0.3627451 0.5264076 0.3054192), wk = 0.0023585 k( 286) = ( 0.3578431 0.5348981 0.3054192), wk = 0.0023585 k( 287) = ( 0.3529412 0.5433885 0.3054192), wk = 0.0023585 k( 288) = ( 0.3480392 0.5518789 0.3054192), wk = 0.0023585 k( 289) = ( 0.3431373 0.5603694 0.3054192), wk = 0.0023585 k( 290) = ( 0.3382353 0.5688598 0.3054192), wk = 0.0023585 k( 291) = ( 0.3333333 0.5773503 0.3054192), wk = 0.0023585 k( 292) = ( 0.3333333 0.5773503 0.3054192), wk = 0.0023585 k( 293) = ( 0.3284314 0.5688598 0.3054192), wk = 0.0023585 k( 294) = ( 0.3235294 0.5603694 0.3054192), wk = 0.0023585 k( 295) = ( 0.3186274 0.5518789 0.3054192), wk = 0.0023585 k( 296) = ( 0.3137255 0.5433885 0.3054192), wk = 0.0023585 k( 297) = ( 0.3088235 0.5348980 0.3054192), wk = 0.0023585 k( 298) = ( 0.3039216 0.5264076 0.3054192), wk = 0.0023585 k( 299) = ( 0.2990196 0.5179172 0.3054192), wk = 0.0023585 k( 300) = ( 0.2941177 0.5094267 0.3054192), wk = 0.0023585 k( 301) = ( 0.2892157 0.5009363 0.3054192), wk = 0.0023585 k( 302) = ( 0.2843137 0.4924458 0.3054192), wk = 0.0023585 k( 303) = ( 0.2794118 0.4839554 0.3054192), wk = 0.0023585 k( 304) = ( 0.2745098 0.4754649 0.3054192), wk = 0.0023585 k( 305) = ( 0.2696078 0.4669745 0.3054192), wk = 0.0023585 k( 306) = ( 0.2647059 0.4584840 0.3054192), wk = 0.0023585 k( 307) = ( 0.2598039 0.4499936 0.3054192), wk = 0.0023585 k( 308) = ( 0.2549020 0.4415031 0.3054192), wk = 0.0023585 k( 309) = ( 0.2500000 0.4330127 0.3054192), wk = 0.0023585 k( 310) = ( 0.2450980 0.4245223 0.3054192), wk = 0.0023585 k( 311) = ( 0.2401961 0.4160318 0.3054192), wk = 0.0023585 k( 312) = ( 0.2352941 0.4075414 0.3054192), wk = 0.0023585 k( 313) = ( 0.2303922 0.3990509 0.3054192), wk = 0.0023585 k( 314) = ( 0.2254902 0.3905605 0.3054192), wk = 0.0023585 k( 315) = ( 0.2205882 0.3820700 0.3054192), wk = 0.0023585 k( 316) = ( 0.2156863 0.3735796 0.3054192), wk = 0.0023585 k( 317) = ( 0.2107843 0.3650891 0.3054192), wk = 0.0023585 k( 318) = ( 0.2058823 0.3565987 0.3054192), wk = 0.0023585 k( 319) = ( 0.2009804 0.3481082 0.3054192), wk = 0.0023585 k( 320) = ( 0.1960784 0.3396178 0.3054192), wk = 0.0023585 k( 321) = ( 0.1911765 0.3311274 0.3054192), wk = 0.0023585 k( 322) = ( 0.1862745 0.3226369 0.3054192), wk = 0.0023585 k( 323) = ( 0.1813725 0.3141465 0.3054192), wk = 0.0023585 k( 324) = ( 0.1764706 0.3056560 0.3054192), wk = 0.0023585 k( 325) = ( 0.1715686 0.2971656 0.3054192), wk = 0.0023585 k( 326) = ( 0.1666667 0.2886751 0.3054192), wk = 0.0023585 k( 327) = ( 0.1617647 0.2801847 0.3054192), wk = 0.0023585 k( 328) = ( 0.1568627 0.2716943 0.3054192), wk = 0.0023585 k( 329) = ( 0.1519608 0.2632038 0.3054192), wk = 0.0023585 k( 330) = ( 0.1470588 0.2547133 0.3054192), wk = 0.0023585 k( 331) = ( 0.1421569 0.2462229 0.3054192), wk = 0.0023585 k( 332) = ( 0.1372549 0.2377325 0.3054192), wk = 0.0023585 k( 333) = ( 0.1323529 0.2292420 0.3054192), wk = 0.0023585 k( 334) = ( 0.1274510 0.2207516 0.3054192), wk = 0.0023585 k( 335) = ( 0.1225490 0.2122611 0.3054192), wk = 0.0023585 k( 336) = ( 0.1176471 0.2037707 0.3054192), wk = 0.0023585 k( 337) = ( 0.1127451 0.1952802 0.3054192), wk = 0.0023585 k( 338) = ( 0.1078431 0.1867898 0.3054192), wk = 0.0023585 k( 339) = ( 0.1029412 0.1782994 0.3054192), wk = 0.0023585 k( 340) = ( 0.0980392 0.1698089 0.3054192), wk = 0.0023585 k( 341) = ( 0.0931373 0.1613184 0.3054192), wk = 0.0023585 k( 342) = ( 0.0882353 0.1528280 0.3054192), wk = 0.0023585 k( 343) = ( 0.0833333 0.1443376 0.3054192), wk = 0.0023585 k( 344) = ( 0.0784314 0.1358471 0.3054192), wk = 0.0023585 k( 345) = ( 0.0735294 0.1273567 0.3054192), wk = 0.0023585 k( 346) = ( 0.0686275 0.1188662 0.3054192), wk = 0.0023585 k( 347) = ( 0.0637255 0.1103758 0.3054192), wk = 0.0023585 k( 348) = ( 0.0588235 0.1018853 0.3054192), wk = 0.0023585 k( 349) = ( 0.0539216 0.0933949 0.3054192), wk = 0.0023585 k( 350) = ( 0.0490196 0.0849045 0.3054192), wk = 0.0023585 k( 351) = ( 0.0441177 0.0764140 0.3054192), wk = 0.0023585 k( 352) = ( 0.0392157 0.0679236 0.3054192), wk = 0.0023585 k( 353) = ( 0.0343137 0.0594331 0.3054192), wk = 0.0023585 k( 354) = ( 0.0294118 0.0509427 0.3054192), wk = 0.0023585 k( 355) = ( 0.0245098 0.0424522 0.3054192), wk = 0.0023585 k( 356) = ( 0.0196078 0.0339618 0.3054192), wk = 0.0023585 k( 357) = ( 0.0147059 0.0254713 0.3054192), wk = 0.0023585 k( 358) = ( 0.0098039 0.0169809 0.3054192), wk = 0.0023585 k( 359) = ( 0.0049020 0.0084904 0.3054192), wk = 0.0023585 k( 360) = ( 0.0000000 0.0000000 0.3054192), wk = 0.0023585 k( 361) = ( 0.5000000 0.2886751 0.3054192), wk = 0.0023585 k( 362) = ( 0.5000000 0.2886751 0.2955670), wk = 0.0023585 k( 363) = ( 0.5000000 0.2886751 0.2857147), wk = 0.0023585 k( 364) = ( 0.5000000 0.2886751 0.2758625), wk = 0.0023585 k( 365) = ( 0.5000000 0.2886751 0.2660103), wk = 0.0023585 k( 366) = ( 0.5000000 0.2886751 0.2561580), wk = 0.0023585 k( 367) = ( 0.5000000 0.2886751 0.2463058), wk = 0.0023585 k( 368) = ( 0.5000000 0.2886751 0.2364536), wk = 0.0023585 k( 369) = ( 0.5000000 0.2886751 0.2266013), wk = 0.0023585 k( 370) = ( 0.5000000 0.2886751 0.2167491), wk = 0.0023585 k( 371) = ( 0.5000000 0.2886751 0.2068969), wk = 0.0023585 k( 372) = ( 0.5000000 0.2886751 0.1970446), wk = 0.0023585 k( 373) = ( 0.5000000 0.2886751 0.1871924), wk = 0.0023585 k( 374) = ( 0.5000000 0.2886751 0.1773402), wk = 0.0023585 k( 375) = ( 0.5000000 0.2886751 0.1674880), wk = 0.0023585 k( 376) = ( 0.5000000 0.2886751 0.1576357), wk = 0.0023585 k( 377) = ( 0.5000000 0.2886751 0.1477835), wk = 0.0023585 k( 378) = ( 0.5000000 0.2886751 0.1379313), wk = 0.0023585 k( 379) = ( 0.5000000 0.2886751 0.1280790), wk = 0.0023585 k( 380) = ( 0.5000000 0.2886751 0.1182268), wk = 0.0023585 k( 381) = ( 0.5000000 0.2886751 0.1083746), wk = 0.0023585 k( 382) = ( 0.5000000 0.2886751 0.0985223), wk = 0.0023585 k( 383) = ( 0.5000000 0.2886751 0.0886701), wk = 0.0023585 k( 384) = ( 0.5000000 0.2886751 0.0788179), wk = 0.0023585 k( 385) = ( 0.5000000 0.2886751 0.0689656), wk = 0.0023585 k( 386) = ( 0.5000000 0.2886751 0.0591134), wk = 0.0023585 k( 387) = ( 0.5000000 0.2886751 0.0492612), wk = 0.0023585 k( 388) = ( 0.5000000 0.2886751 0.0394089), wk = 0.0023585 k( 389) = ( 0.5000000 0.2886751 0.0295567), wk = 0.0023585 k( 390) = ( 0.5000000 0.2886751 0.0197045), wk = 0.0023585 k( 391) = ( 0.5000000 0.2886751 0.0098522), wk = 0.0023585 k( 392) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023585 k( 393) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023585 k( 394) = ( 0.3333333 0.5773503 0.0098522), wk = 0.0023585 k( 395) = ( 0.3333333 0.5773503 0.0197045), wk = 0.0023585 k( 396) = ( 0.3333333 0.5773503 0.0295567), wk = 0.0023585 k( 397) = ( 0.3333333 0.5773503 0.0394089), wk = 0.0023585 k( 398) = ( 0.3333333 0.5773503 0.0492612), wk = 0.0023585 k( 399) = ( 0.3333333 0.5773503 0.0591134), wk = 0.0023585 k( 400) = ( 0.3333333 0.5773503 0.0689656), wk = 0.0023585 k( 401) = ( 0.3333333 0.5773503 0.0788179), wk = 0.0023585 k( 402) = ( 0.3333333 0.5773503 0.0886701), wk = 0.0023585 k( 403) = ( 0.3333333 0.5773503 0.0985223), wk = 0.0023585 k( 404) = ( 0.3333333 0.5773503 0.1083746), wk = 0.0023585 k( 405) = ( 0.3333333 0.5773503 0.1182268), wk = 0.0023585 k( 406) = ( 0.3333333 0.5773503 0.1280790), wk = 0.0023585 k( 407) = ( 0.3333333 0.5773503 0.1379313), wk = 0.0023585 k( 408) = ( 0.3333333 0.5773503 0.1477835), wk = 0.0023585 k( 409) = ( 0.3333333 0.5773503 0.1576357), wk = 0.0023585 k( 410) = ( 0.3333333 0.5773503 0.1674880), wk = 0.0023585 k( 411) = ( 0.3333333 0.5773503 0.1773402), wk = 0.0023585 k( 412) = ( 0.3333333 0.5773503 0.1871924), wk = 0.0023585 k( 413) = ( 0.3333333 0.5773503 0.1970446), wk = 0.0023585 k( 414) = ( 0.3333333 0.5773503 0.2068969), wk = 0.0023585 k( 415) = ( 0.3333333 0.5773503 0.2167491), wk = 0.0023585 k( 416) = ( 0.3333333 0.5773503 0.2266013), wk = 0.0023585 k( 417) = ( 0.3333333 0.5773503 0.2364536), wk = 0.0023585 k( 418) = ( 0.3333333 0.5773503 0.2463058), wk = 0.0023585 k( 419) = ( 0.3333333 0.5773503 0.2561580), wk = 0.0023585 k( 420) = ( 0.3333333 0.5773503 0.2660103), wk = 0.0023585 k( 421) = ( 0.3333333 0.5773503 0.2758625), wk = 0.0023585 k( 422) = ( 0.3333333 0.5773503 0.2857147), wk = 0.0023585 k( 423) = ( 0.3333333 0.5773503 0.2955670), wk = 0.0023585 k( 424) = ( 0.3333333 0.5773503 0.3054192), wk = 0.0023585 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0084746 0.0000000 -0.0000000), wk = 0.0023585 k( 3) = ( 0.0169491 0.0000000 -0.0000000), wk = 0.0023585 k( 4) = ( 0.0254237 0.0000000 -0.0000000), wk = 0.0023585 k( 5) = ( 0.0338983 0.0000000 -0.0000000), wk = 0.0023585 k( 6) = ( 0.0423729 -0.0000000 0.0000000), wk = 0.0023585 k( 7) = ( 0.0508475 0.0000000 -0.0000000), wk = 0.0023585 k( 8) = ( 0.0593220 -0.0000000 -0.0000000), wk = 0.0023585 k( 9) = ( 0.0677966 0.0000000 -0.0000000), wk = 0.0023585 k( 10) = ( 0.0762712 0.0000000 -0.0000000), wk = 0.0023585 k( 11) = ( 0.0847458 -0.0000000 0.0000000), wk = 0.0023585 k( 12) = ( 0.0932203 -0.0000000 0.0000000), wk = 0.0023585 k( 13) = ( 0.1016949 0.0000000 -0.0000000), wk = 0.0023585 k( 14) = ( 0.1101695 0.0000000 -0.0000000), wk = 0.0023585 k( 15) = ( 0.1186441 0.0000000 -0.0000000), wk = 0.0023585 k( 16) = ( 0.1271186 0.0000000 -0.0000000), wk = 0.0023585 k( 17) = ( 0.1355932 0.0000000 -0.0000000), wk = 0.0023585 k( 18) = ( 0.1440678 0.0000000 -0.0000000), wk = 0.0023585 k( 19) = ( 0.1525424 -0.0000000 0.0000000), wk = 0.0023585 k( 20) = ( 0.1610169 -0.0000000 -0.0000000), wk = 0.0023585 k( 21) = ( 0.1694915 -0.0000000 -0.0000000), wk = 0.0023585 k( 22) = ( 0.1779661 -0.0000000 -0.0000000), wk = 0.0023585 k( 23) = ( 0.1864407 -0.0000000 0.0000000), wk = 0.0023585 k( 24) = ( 0.1949153 0.0000000 -0.0000000), wk = 0.0023585 k( 25) = ( 0.2033898 0.0000000 -0.0000000), wk = 0.0023585 k( 26) = ( 0.2118644 0.0000000 -0.0000000), wk = 0.0023585 k( 27) = ( 0.2203390 0.0000000 -0.0000000), wk = 0.0023585 k( 28) = ( 0.2288136 -0.0000000 0.0000000), wk = 0.0023585 k( 29) = ( 0.2372881 0.0000000 -0.0000000), wk = 0.0023585 k( 30) = ( 0.2457627 -0.0000000 0.0000000), wk = 0.0023585 k( 31) = ( 0.2542373 0.0000000 0.0000000), wk = 0.0023585 k( 32) = ( 0.2627119 0.0000000 0.0000000), wk = 0.0023585 k( 33) = ( 0.2711864 0.0000000 -0.0000000), wk = 0.0023585 k( 34) = ( 0.2796610 0.0000000 0.0000000), wk = 0.0023585 k( 35) = ( 0.2881356 0.0000000 -0.0000000), wk = 0.0023585 k( 36) = ( 0.2966102 0.0000000 0.0000000), wk = 0.0023585 k( 37) = ( 0.3050848 0.0000000 -0.0000000), wk = 0.0023585 k( 38) = ( 0.3135593 -0.0000000 0.0000000), wk = 0.0023585 k( 39) = ( 0.3220339 -0.0000000 -0.0000000), wk = 0.0023585 k( 40) = ( 0.3305085 -0.0000000 -0.0000000), wk = 0.0023585 k( 41) = ( 0.3389831 0.0000000 0.0000000), wk = 0.0023585 k( 42) = ( 0.3474576 -0.0000000 -0.0000000), wk = 0.0023585 k( 43) = ( 0.3559322 -0.0000000 -0.0000000), wk = 0.0023585 k( 44) = ( 0.3644068 -0.0000000 -0.0000000), wk = 0.0023585 k( 45) = ( 0.3728814 -0.0000000 0.0000000), wk = 0.0023585 k( 46) = ( 0.3813559 0.0000000 -0.0000000), wk = 0.0023585 k( 47) = ( 0.3898305 0.0000000 -0.0000000), wk = 0.0023585 k( 48) = ( 0.3983051 0.0000000 0.0000000), wk = 0.0023585 k( 49) = ( 0.4067797 0.0000000 -0.0000000), wk = 0.0023585 k( 50) = ( 0.4152542 0.0000000 -0.0000000), wk = 0.0023585 k( 51) = ( 0.4237288 -0.0000000 -0.0000000), wk = 0.0023585 k( 52) = ( 0.4322034 0.0000000 0.0000000), wk = 0.0023585 k( 53) = ( 0.4406780 -0.0000000 -0.0000000), wk = 0.0023585 k( 54) = ( 0.4491525 0.0000000 0.0000000), wk = 0.0023585 k( 55) = ( 0.4576271 -0.0000000 0.0000000), wk = 0.0023585 k( 56) = ( 0.4661017 0.0000000 0.0000000), wk = 0.0023585 k( 57) = ( 0.4745763 0.0000000 -0.0000000), wk = 0.0023585 k( 58) = ( 0.4830508 0.0000000 0.0000000), wk = 0.0023585 k( 59) = ( 0.4915254 -0.0000000 0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023585 k( 62) = ( 0.4950980 0.0098039 -0.0000000), wk = 0.0023585 k( 63) = ( 0.4901961 0.0196078 0.0000000), wk = 0.0023585 k( 64) = ( 0.4852941 0.0294118 0.0000000), wk = 0.0023585 k( 65) = ( 0.4803922 0.0392157 -0.0000000), wk = 0.0023585 k( 66) = ( 0.4754902 0.0490196 -0.0000000), wk = 0.0023585 k( 67) = ( 0.4705882 0.0588235 -0.0000000), wk = 0.0023585 k( 68) = ( 0.4656863 0.0686274 -0.0000000), wk = 0.0023585 k( 69) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0023585 k( 70) = ( 0.4558823 0.0882353 -0.0000000), wk = 0.0023585 k( 71) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0023585 k( 72) = ( 0.4460784 0.1078431 0.0000000), wk = 0.0023585 k( 73) = ( 0.4411765 0.1176471 -0.0000000), wk = 0.0023585 k( 74) = ( 0.4362745 0.1274510 0.0000000), wk = 0.0023585 k( 75) = ( 0.4313726 0.1372549 -0.0000000), wk = 0.0023585 k( 76) = ( 0.4264706 0.1470588 0.0000000), wk = 0.0023585 k( 77) = ( 0.4215686 0.1568627 0.0000000), wk = 0.0023585 k( 78) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0023585 k( 79) = ( 0.4117647 0.1764706 0.0000000), wk = 0.0023585 k( 80) = ( 0.4068627 0.1862745 -0.0000000), wk = 0.0023585 k( 81) = ( 0.4019608 0.1960784 0.0000000), wk = 0.0023585 k( 82) = ( 0.3970588 0.2058823 0.0000000), wk = 0.0023585 k( 83) = ( 0.3921569 0.2156863 -0.0000000), wk = 0.0023585 k( 84) = ( 0.3872549 0.2254902 -0.0000000), wk = 0.0023585 k( 85) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0023585 k( 86) = ( 0.3774510 0.2450980 -0.0000000), wk = 0.0023585 k( 87) = ( 0.3725490 0.2549020 -0.0000000), wk = 0.0023585 k( 88) = ( 0.3676471 0.2647059 -0.0000000), wk = 0.0023585 k( 89) = ( 0.3627451 0.2745098 -0.0000000), wk = 0.0023585 k( 90) = ( 0.3578431 0.2843137 0.0000000), wk = 0.0023585 k( 91) = ( 0.3529412 0.2941176 -0.0000000), wk = 0.0023585 k( 92) = ( 0.3480392 0.3039216 -0.0000000), wk = 0.0023585 k( 93) = ( 0.3431373 0.3137255 -0.0000000), wk = 0.0023585 k( 94) = ( 0.3382353 0.3235294 -0.0000000), wk = 0.0023585 k( 95) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023585 k( 96) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023585 k( 97) = ( 0.3284314 0.3284314 -0.0000000), wk = 0.0023585 k( 98) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0023585 k( 99) = ( 0.3186274 0.3186274 -0.0000000), wk = 0.0023585 k( 100) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0023585 k( 101) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0023585 k( 102) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0023585 k( 103) = ( 0.2990196 0.2990196 -0.0000000), wk = 0.0023585 k( 104) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0023585 k( 105) = ( 0.2892157 0.2892157 -0.0000000), wk = 0.0023585 k( 106) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0023585 k( 107) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0023585 k( 108) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0023585 k( 109) = ( 0.2696078 0.2696078 -0.0000000), wk = 0.0023585 k( 110) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0023585 k( 111) = ( 0.2598039 0.2598039 -0.0000000), wk = 0.0023585 k( 112) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0023585 k( 113) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0023585 k( 114) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0023585 k( 115) = ( 0.2401961 0.2401961 -0.0000000), wk = 0.0023585 k( 116) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0023585 k( 117) = ( 0.2303922 0.2303922 -0.0000000), wk = 0.0023585 k( 118) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0023585 k( 119) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0023585 k( 120) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0023585 k( 121) = ( 0.2107843 0.2107843 -0.0000000), wk = 0.0023585 k( 122) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0023585 k( 123) = ( 0.2009804 0.2009804 -0.0000000), wk = 0.0023585 k( 124) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0023585 k( 125) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0023585 k( 126) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0023585 k( 127) = ( 0.1813725 0.1813725 -0.0000000), wk = 0.0023585 k( 128) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0023585 k( 129) = ( 0.1715686 0.1715686 -0.0000000), wk = 0.0023585 k( 130) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0023585 k( 131) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0023585 k( 132) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0023585 k( 133) = ( 0.1519608 0.1519608 -0.0000000), wk = 0.0023585 k( 134) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0023585 k( 135) = ( 0.1421569 0.1421569 -0.0000000), wk = 0.0023585 k( 136) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0023585 k( 137) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0023585 k( 138) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0023585 k( 139) = ( 0.1225490 0.1225490 -0.0000000), wk = 0.0023585 k( 140) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0023585 k( 141) = ( 0.1127451 0.1127451 -0.0000000), wk = 0.0023585 k( 142) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0023585 k( 143) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0023585 k( 144) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0023585 k( 145) = ( 0.0931373 0.0931372 -0.0000000), wk = 0.0023585 k( 146) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0023585 k( 147) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0023585 k( 148) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0023585 k( 149) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0023585 k( 150) = ( 0.0686275 0.0686274 0.0000000), wk = 0.0023585 k( 151) = ( 0.0637255 0.0637255 0.0000000), wk = 0.0023585 k( 152) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0023585 k( 153) = ( 0.0539216 0.0539216 -0.0000000), wk = 0.0023585 k( 154) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0023585 k( 155) = ( 0.0441177 0.0441177 -0.0000000), wk = 0.0023585 k( 156) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0023585 k( 157) = ( 0.0343137 0.0343137 0.0000000), wk = 0.0023585 k( 158) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0023585 k( 159) = ( 0.0245098 0.0245098 -0.0000000), wk = 0.0023585 k( 160) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0023585 k( 161) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0023585 k( 162) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0023585 k( 163) = ( 0.0049020 0.0049020 -0.0000000), wk = 0.0023585 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 166) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0023585 k( 167) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0023585 k( 168) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0023585 k( 169) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0023585 k( 170) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0023585 k( 171) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0023585 k( 172) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0023585 k( 173) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0023585 k( 174) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0023585 k( 175) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0023585 k( 176) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0023585 k( 177) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0023585 k( 178) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0023585 k( 179) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.2741935), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0023585 k( 188) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0023585 k( 189) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0023585 k( 190) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0023585 k( 191) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0023585 k( 192) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0023585 k( 193) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0023585 k( 194) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0023585 k( 195) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0023585 k( 196) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 198) = ( 0.0084746 0.0000000 0.5000000), wk = 0.0023585 k( 199) = ( 0.0169491 0.0000000 0.5000000), wk = 0.0023585 k( 200) = ( 0.0254237 0.0000000 0.5000000), wk = 0.0023585 k( 201) = ( 0.0338983 0.0000000 0.5000000), wk = 0.0023585 k( 202) = ( 0.0423729 -0.0000000 0.5000000), wk = 0.0023585 k( 203) = ( 0.0508475 0.0000000 0.5000000), wk = 0.0023585 k( 204) = ( 0.0593220 -0.0000000 0.5000000), wk = 0.0023585 k( 205) = ( 0.0677966 0.0000000 0.5000000), wk = 0.0023585 k( 206) = ( 0.0762712 0.0000000 0.5000000), wk = 0.0023585 k( 207) = ( 0.0847458 -0.0000000 0.5000000), wk = 0.0023585 k( 208) = ( 0.0932203 -0.0000000 0.5000000), wk = 0.0023585 k( 209) = ( 0.1016949 0.0000000 0.5000000), wk = 0.0023585 k( 210) = ( 0.1101695 0.0000000 0.5000000), wk = 0.0023585 k( 211) = ( 0.1186441 0.0000000 0.5000000), wk = 0.0023585 k( 212) = ( 0.1271186 0.0000000 0.5000000), wk = 0.0023585 k( 213) = ( 0.1355932 0.0000000 0.5000000), wk = 0.0023585 k( 214) = ( 0.1440678 0.0000000 0.5000000), wk = 0.0023585 k( 215) = ( 0.1525424 -0.0000000 0.5000000), wk = 0.0023585 k( 216) = ( 0.1610169 -0.0000000 0.5000000), wk = 0.0023585 k( 217) = ( 0.1694915 -0.0000000 0.5000000), wk = 0.0023585 k( 218) = ( 0.1779661 -0.0000000 0.5000000), wk = 0.0023585 k( 219) = ( 0.1864407 -0.0000000 0.5000000), wk = 0.0023585 k( 220) = ( 0.1949153 0.0000000 0.5000000), wk = 0.0023585 k( 221) = ( 0.2033898 0.0000000 0.5000000), wk = 0.0023585 k( 222) = ( 0.2118644 0.0000000 0.5000000), wk = 0.0023585 k( 223) = ( 0.2203390 0.0000000 0.5000000), wk = 0.0023585 k( 224) = ( 0.2288136 -0.0000000 0.5000000), wk = 0.0023585 k( 225) = ( 0.2372881 0.0000000 0.5000000), wk = 0.0023585 k( 226) = ( 0.2457627 -0.0000000 0.5000000), wk = 0.0023585 k( 227) = ( 0.2542373 0.0000000 0.5000000), wk = 0.0023585 k( 228) = ( 0.2627119 0.0000000 0.5000000), wk = 0.0023585 k( 229) = ( 0.2711864 0.0000000 0.5000000), wk = 0.0023585 k( 230) = ( 0.2796610 0.0000000 0.5000000), wk = 0.0023585 k( 231) = ( 0.2881356 0.0000000 0.5000000), wk = 0.0023585 k( 232) = ( 0.2966102 0.0000000 0.5000000), wk = 0.0023585 k( 233) = ( 0.3050848 0.0000000 0.5000000), wk = 0.0023585 k( 234) = ( 0.3135593 -0.0000000 0.5000000), wk = 0.0023585 k( 235) = ( 0.3220339 -0.0000000 0.5000000), wk = 0.0023585 k( 236) = ( 0.3305085 -0.0000000 0.5000000), wk = 0.0023585 k( 237) = ( 0.3389831 0.0000000 0.5000000), wk = 0.0023585 k( 238) = ( 0.3474576 -0.0000000 0.5000000), wk = 0.0023585 k( 239) = ( 0.3559322 -0.0000000 0.5000000), wk = 0.0023585 k( 240) = ( 0.3644068 -0.0000000 0.5000000), wk = 0.0023585 k( 241) = ( 0.3728814 -0.0000000 0.5000000), wk = 0.0023585 k( 242) = ( 0.3813559 0.0000000 0.5000000), wk = 0.0023585 k( 243) = ( 0.3898305 0.0000000 0.5000000), wk = 0.0023585 k( 244) = ( 0.3983051 0.0000000 0.5000000), wk = 0.0023585 k( 245) = ( 0.4067797 0.0000000 0.5000000), wk = 0.0023585 k( 246) = ( 0.4152542 0.0000000 0.5000000), wk = 0.0023585 k( 247) = ( 0.4237288 -0.0000000 0.5000000), wk = 0.0023585 k( 248) = ( 0.4322034 0.0000000 0.5000000), wk = 0.0023585 k( 249) = ( 0.4406780 -0.0000000 0.5000000), wk = 0.0023585 k( 250) = ( 0.4491525 0.0000000 0.5000000), wk = 0.0023585 k( 251) = ( 0.4576271 -0.0000000 0.5000000), wk = 0.0023585 k( 252) = ( 0.4661017 0.0000000 0.5000000), wk = 0.0023585 k( 253) = ( 0.4745763 0.0000000 0.5000000), wk = 0.0023585 k( 254) = ( 0.4830508 0.0000000 0.5000000), wk = 0.0023585 k( 255) = ( 0.4915254 -0.0000000 0.5000000), wk = 0.0023585 k( 256) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 257) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 258) = ( 0.4950980 0.0098039 0.5000000), wk = 0.0023585 k( 259) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0023585 k( 260) = ( 0.4852941 0.0294118 0.5000000), wk = 0.0023585 k( 261) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0023585 k( 262) = ( 0.4754902 0.0490196 0.5000000), wk = 0.0023585 k( 263) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0023585 k( 264) = ( 0.4656863 0.0686274 0.5000000), wk = 0.0023585 k( 265) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0023585 k( 266) = ( 0.4558823 0.0882353 0.5000000), wk = 0.0023585 k( 267) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0023585 k( 268) = ( 0.4460784 0.1078431 0.5000000), wk = 0.0023585 k( 269) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0023585 k( 270) = ( 0.4362745 0.1274510 0.5000000), wk = 0.0023585 k( 271) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0023585 k( 272) = ( 0.4264706 0.1470588 0.5000000), wk = 0.0023585 k( 273) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0023585 k( 274) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0023585 k( 275) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0023585 k( 276) = ( 0.4068627 0.1862745 0.5000000), wk = 0.0023585 k( 277) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0023585 k( 278) = ( 0.3970588 0.2058823 0.5000000), wk = 0.0023585 k( 279) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0023585 k( 280) = ( 0.3872549 0.2254902 0.5000000), wk = 0.0023585 k( 281) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0023585 k( 282) = ( 0.3774510 0.2450980 0.5000000), wk = 0.0023585 k( 283) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0023585 k( 284) = ( 0.3676471 0.2647059 0.5000000), wk = 0.0023585 k( 285) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0023585 k( 286) = ( 0.3578431 0.2843137 0.5000000), wk = 0.0023585 k( 287) = ( 0.3529412 0.2941176 0.5000000), wk = 0.0023585 k( 288) = ( 0.3480392 0.3039216 0.5000000), wk = 0.0023585 k( 289) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0023585 k( 290) = ( 0.3382353 0.3235294 0.5000000), wk = 0.0023585 k( 291) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023585 k( 292) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023585 k( 293) = ( 0.3284314 0.3284314 0.5000000), wk = 0.0023585 k( 294) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0023585 k( 295) = ( 0.3186274 0.3186274 0.5000000), wk = 0.0023585 k( 296) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0023585 k( 297) = ( 0.3088235 0.3088235 0.5000000), wk = 0.0023585 k( 298) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0023585 k( 299) = ( 0.2990196 0.2990196 0.5000000), wk = 0.0023585 k( 300) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0023585 k( 301) = ( 0.2892157 0.2892157 0.5000000), wk = 0.0023585 k( 302) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0023585 k( 303) = ( 0.2794118 0.2794118 0.5000000), wk = 0.0023585 k( 304) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0023585 k( 305) = ( 0.2696078 0.2696078 0.5000000), wk = 0.0023585 k( 306) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0023585 k( 307) = ( 0.2598039 0.2598039 0.5000000), wk = 0.0023585 k( 308) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0023585 k( 309) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0023585 k( 310) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0023585 k( 311) = ( 0.2401961 0.2401961 0.5000000), wk = 0.0023585 k( 312) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0023585 k( 313) = ( 0.2303922 0.2303922 0.5000000), wk = 0.0023585 k( 314) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0023585 k( 315) = ( 0.2205882 0.2205882 0.5000000), wk = 0.0023585 k( 316) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0023585 k( 317) = ( 0.2107843 0.2107843 0.5000000), wk = 0.0023585 k( 318) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0023585 k( 319) = ( 0.2009804 0.2009804 0.5000000), wk = 0.0023585 k( 320) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0023585 k( 321) = ( 0.1911765 0.1911765 0.5000000), wk = 0.0023585 k( 322) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0023585 k( 323) = ( 0.1813725 0.1813725 0.5000000), wk = 0.0023585 k( 324) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0023585 k( 325) = ( 0.1715686 0.1715686 0.5000000), wk = 0.0023585 k( 326) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0023585 k( 327) = ( 0.1617647 0.1617647 0.5000000), wk = 0.0023585 k( 328) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0023585 k( 329) = ( 0.1519608 0.1519608 0.5000000), wk = 0.0023585 k( 330) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0023585 k( 331) = ( 0.1421569 0.1421569 0.5000000), wk = 0.0023585 k( 332) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0023585 k( 333) = ( 0.1323529 0.1323529 0.5000000), wk = 0.0023585 k( 334) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0023585 k( 335) = ( 0.1225490 0.1225490 0.5000000), wk = 0.0023585 k( 336) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0023585 k( 337) = ( 0.1127451 0.1127451 0.5000000), wk = 0.0023585 k( 338) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0023585 k( 339) = ( 0.1029412 0.1029412 0.5000000), wk = 0.0023585 k( 340) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0023585 k( 341) = ( 0.0931373 0.0931372 0.5000000), wk = 0.0023585 k( 342) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0023585 k( 343) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0023585 k( 344) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0023585 k( 345) = ( 0.0735294 0.0735294 0.5000000), wk = 0.0023585 k( 346) = ( 0.0686275 0.0686274 0.5000000), wk = 0.0023585 k( 347) = ( 0.0637255 0.0637255 0.5000000), wk = 0.0023585 k( 348) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0023585 k( 349) = ( 0.0539216 0.0539216 0.5000000), wk = 0.0023585 k( 350) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0023585 k( 351) = ( 0.0441177 0.0441177 0.5000000), wk = 0.0023585 k( 352) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0023585 k( 353) = ( 0.0343137 0.0343137 0.5000000), wk = 0.0023585 k( 354) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0023585 k( 355) = ( 0.0245098 0.0245098 0.5000000), wk = 0.0023585 k( 356) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0023585 k( 357) = ( 0.0147059 0.0147059 0.5000000), wk = 0.0023585 k( 358) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0023585 k( 359) = ( 0.0049020 0.0049020 0.5000000), wk = 0.0023585 k( 360) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 361) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 362) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0023585 k( 363) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0023585 k( 364) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0023585 k( 365) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0023585 k( 366) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0023585 k( 367) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0023585 k( 368) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0023585 k( 369) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0023585 k( 370) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0023585 k( 371) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0023585 k( 372) = ( 0.5000000 0.0000000 0.3225806), wk = 0.0023585 k( 373) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0023585 k( 374) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0023585 k( 375) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0023585 k( 376) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0023585 k( 377) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0023585 k( 378) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0023585 k( 379) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0023585 k( 380) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0023585 k( 381) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0023585 k( 382) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0023585 k( 383) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0023585 k( 384) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0023585 k( 385) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0023585 k( 386) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0023585 k( 387) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0023585 k( 388) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0023585 k( 389) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0023585 k( 390) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0023585 k( 391) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0023585 k( 392) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023585 k( 393) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023585 k( 394) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0023585 k( 395) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0023585 k( 396) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0023585 k( 397) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0023585 k( 398) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0023585 k( 399) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0023585 k( 400) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0023585 k( 401) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0023585 k( 402) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0023585 k( 403) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0023585 k( 404) = ( 0.3333333 0.3333333 0.1774193), wk = 0.0023585 k( 405) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0023585 k( 406) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0023585 k( 407) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0023585 k( 408) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0023585 k( 409) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0023585 k( 410) = ( 0.3333333 0.3333333 0.2741935), wk = 0.0023585 k( 411) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0023585 k( 412) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0023585 k( 413) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0023585 k( 414) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0023585 k( 415) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0023585 k( 416) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0023585 k( 417) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0023585 k( 418) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0023585 k( 419) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0023585 k( 420) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0023585 k( 421) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0023585 k( 422) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0023585 k( 423) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0023585 k( 424) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023585 Dense grid: 40581 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 296, 14) NL pseudopotentials 0.06 Mb ( 148, 28) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1133) G-vector shells 0.00 Mb ( 580) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 296, 56) Each subspace H/S matrix 0.00 Mb ( 14, 14) Each matrix 0.01 Mb ( 28, 2, 14) The potential is recalculated from file : ./Li.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.7 secs Computing kpt #: 2 total cpu time spent up to now is 0.8 secs Computing kpt #: 3 total cpu time spent up to now is 0.8 secs Computing kpt #: 4 total cpu time spent up to now is 0.9 secs Computing kpt #: 5 total cpu time spent up to now is 1.0 secs Computing kpt #: 6 total cpu time spent up to now is 1.0 secs Computing kpt #: 7 total cpu time spent up to now is 1.1 secs Computing kpt #: 8 total cpu time spent up to now is 1.2 secs Computing kpt #: 9 total cpu time spent up to now is 1.2 secs Computing kpt #: 10 total cpu time spent up to now is 1.3 secs Computing kpt #: 11 total cpu time spent up to now is 1.4 secs Computing kpt #: 12 total cpu time spent up to now is 1.4 secs Computing kpt #: 13 total cpu time spent up to now is 1.5 secs Computing kpt #: 14 total cpu time spent up to now is 1.6 secs Computing kpt #: 15 total cpu time spent up to now is 1.6 secs Computing kpt #: 16 total cpu time spent up to now is 1.7 secs Computing kpt #: 17 total cpu time spent up to now is 1.8 secs Computing kpt #: 18 total cpu time spent up to now is 1.8 secs Computing kpt #: 19 total cpu time spent up to now is 1.9 secs Computing kpt #: 20 total cpu time spent up to now is 2.0 secs Computing kpt #: 21 total cpu time spent up to now is 2.0 secs Computing kpt #: 22 total cpu time spent up to now is 2.1 secs Computing kpt #: 23 total cpu time spent up to now is 2.1 secs Computing kpt #: 24 total cpu time spent up to now is 2.2 secs Computing kpt #: 25 total cpu time spent up to now is 2.3 secs Computing kpt #: 26 total cpu time spent up to now is 2.3 secs Computing kpt #: 27 total cpu time spent up to now is 2.4 secs Computing kpt #: 28 total cpu time spent up to now is 2.5 secs Computing kpt #: 29 total cpu time spent up to now is 2.5 secs Computing kpt #: 30 total cpu time spent up to now is 2.6 secs Computing kpt #: 31 total cpu time spent up to now is 2.7 secs Computing kpt #: 32 total cpu time spent up to now is 2.7 secs Computing kpt #: 33 total cpu time spent up to now is 2.8 secs Computing kpt #: 34 total cpu time spent up to now is 2.8 secs Computing kpt #: 35 total cpu time spent up to now is 2.9 secs Computing kpt #: 36 total cpu time spent up to now is 3.0 secs Computing kpt #: 37 total cpu time spent up to now is 3.0 secs Computing kpt #: 38 total cpu time spent up to now is 3.1 secs Computing kpt #: 39 total cpu time spent up to now is 3.2 secs Computing kpt #: 40 total cpu time spent up to now is 3.3 secs Computing kpt #: 41 total cpu time spent up to now is 3.3 secs Computing kpt #: 42 total cpu time spent up to now is 3.4 secs Computing kpt #: 43 total cpu time spent up to now is 3.5 secs Computing kpt #: 44 total cpu time spent up to now is 3.6 secs Computing kpt #: 45 total cpu time spent up to now is 3.7 secs Computing kpt #: 46 total cpu time spent up to now is 3.8 secs Computing kpt #: 47 total cpu time spent up to now is 3.9 secs Computing kpt #: 48 total cpu time spent up to now is 3.9 secs Computing kpt #: 49 total cpu time spent up to now is 4.0 secs Computing kpt #: 50 total cpu time spent up to now is 4.1 secs Computing kpt #: 51 total cpu time spent up to now is 4.2 secs Computing kpt #: 52 total cpu time spent up to now is 4.2 secs Computing kpt #: 53 total cpu time spent up to now is 4.3 secs Computing kpt #: 54 total cpu time spent up to now is 4.4 secs Computing kpt #: 55 total cpu time spent up to now is 4.5 secs Computing kpt #: 56 total cpu time spent up to now is 4.5 secs Computing kpt #: 57 total cpu time spent up to now is 4.6 secs Computing kpt #: 58 total cpu time spent up to now is 4.7 secs Computing kpt #: 59 total cpu time spent up to now is 4.8 secs Computing kpt #: 60 total cpu time spent up to now is 4.8 secs Computing kpt #: 61 total cpu time spent up to now is 4.9 secs Computing kpt #: 62 total cpu time spent up to now is 5.0 secs Computing kpt #: 63 total cpu time spent up to now is 5.1 secs Computing kpt #: 64 total cpu time spent up to now is 5.1 secs Computing kpt #: 65 total cpu time spent up to now is 5.2 secs Computing kpt #: 66 total cpu time spent up to now is 5.3 secs Computing kpt #: 67 total cpu time spent up to now is 5.4 secs Computing kpt #: 68 total cpu time spent up to now is 5.4 secs Computing kpt #: 69 total cpu time spent up to now is 5.5 secs Computing kpt #: 70 total cpu time spent up to now is 5.6 secs Computing kpt #: 71 total cpu time spent up to now is 5.7 secs Computing kpt #: 72 total cpu time spent up to now is 5.7 secs Computing kpt #: 73 total cpu time spent up to now is 5.8 secs Computing kpt #: 74 total cpu time spent up to now is 5.9 secs Computing kpt #: 75 total cpu time spent up to now is 6.0 secs Computing kpt #: 76 total cpu time spent up to now is 6.1 secs Computing kpt #: 77 total cpu time spent up to now is 6.1 secs Computing kpt #: 78 total cpu time spent up to now is 6.2 secs Computing kpt #: 79 total cpu time spent up to now is 6.3 secs Computing kpt #: 80 total cpu time spent up to now is 6.4 secs Computing kpt #: 81 total cpu time spent up to now is 6.4 secs Computing kpt #: 82 total cpu time spent up to now is 6.5 secs Computing kpt #: 83 total cpu time spent up to now is 6.6 secs Computing kpt #: 84 total cpu time spent up to now is 6.6 secs Computing kpt #: 85 total cpu time spent up to now is 6.7 secs Computing kpt #: 86 total cpu time spent up to now is 6.8 secs Computing kpt #: 87 total cpu time spent up to now is 6.8 secs Computing kpt #: 88 total cpu time spent up to now is 6.9 secs Computing kpt #: 89 total cpu time spent up to now is 7.0 secs Computing kpt #: 90 total cpu time spent up to now is 7.0 secs Computing kpt #: 91 total cpu time spent up to now is 7.1 secs Computing kpt #: 92 total cpu time spent up to now is 7.2 secs Computing kpt #: 93 total cpu time spent up to now is 7.2 secs Computing kpt #: 94 total cpu time spent up to now is 7.3 secs Computing kpt #: 95 total cpu time spent up to now is 7.4 secs Computing kpt #: 96 total cpu time spent up to now is 7.5 secs Computing kpt #: 97 total cpu time spent up to now is 7.5 secs Computing kpt #: 98 total cpu time spent up to now is 7.6 secs Computing kpt #: 99 total cpu time spent up to now is 7.7 secs Computing kpt #: 100 total cpu time spent up to now is 7.7 secs Computing kpt #: 101 total cpu time spent up to now is 7.8 secs Computing kpt #: 102 total cpu time spent up to now is 7.9 secs Computing kpt #: 103 total cpu time spent up to now is 7.9 secs Computing kpt #: 104 total cpu time spent up to now is 8.0 secs Computing kpt #: 105 total cpu time spent up to now is 8.1 secs Computing kpt #: 106 total cpu time spent up to now is 8.1 secs Computing kpt #: 107 total cpu time spent up to now is 8.2 secs Computing kpt #: 108 total cpu time spent up to now is 8.3 secs Computing kpt #: 109 total cpu time spent up to now is 8.3 secs Computing kpt #: 110 total cpu time spent up to now is 8.4 secs Computing kpt #: 111 total cpu time spent up to now is 8.5 secs Computing kpt #: 112 total cpu time spent up to now is 8.5 secs Computing kpt #: 113 total cpu time spent up to now is 8.6 secs Computing kpt #: 114 total cpu time spent up to now is 8.7 secs Computing kpt #: 115 total cpu time spent up to now is 8.7 secs Computing kpt #: 116 total cpu time spent up to now is 8.8 secs Computing kpt #: 117 total cpu time spent up to now is 8.9 secs Computing kpt #: 118 total cpu time spent up to now is 8.9 secs Computing kpt #: 119 total cpu time spent up to now is 9.0 secs Computing kpt #: 120 total cpu time spent up to now is 9.1 secs Computing kpt #: 121 total cpu time spent up to now is 9.1 secs Computing kpt #: 122 total cpu time spent up to now is 9.2 secs Computing kpt #: 123 total cpu time spent up to now is 9.3 secs Computing kpt #: 124 total cpu time spent up to now is 9.3 secs Computing kpt #: 125 total cpu time spent up to now is 9.4 secs Computing kpt #: 126 total cpu time spent up to now is 9.5 secs Computing kpt #: 127 total cpu time spent up to now is 9.5 secs Computing kpt #: 128 total cpu time spent up to now is 9.6 secs Computing kpt #: 129 total cpu time spent up to now is 9.7 secs Computing kpt #: 130 total cpu time spent up to now is 9.7 secs Computing kpt #: 131 total cpu time spent up to now is 9.8 secs Computing kpt #: 132 total cpu time spent up to now is 9.9 secs Computing kpt #: 133 total cpu time spent up to now is 9.9 secs Computing kpt #: 134 total cpu time spent up to now is 10.0 secs Computing kpt #: 135 total cpu time spent up to now is 10.1 secs Computing kpt #: 136 total cpu time spent up to now is 10.1 secs Computing kpt #: 137 total cpu time spent up to now is 10.2 secs Computing kpt #: 138 total cpu time spent up to now is 10.3 secs Computing kpt #: 139 total cpu time spent up to now is 10.3 secs Computing kpt #: 140 total cpu time spent up to now is 10.4 secs Computing kpt #: 141 total cpu time spent up to now is 10.5 secs Computing kpt #: 142 total cpu time spent up to now is 10.5 secs Computing kpt #: 143 total cpu time spent up to now is 10.6 secs Computing kpt #: 144 total cpu time spent up to now is 10.7 secs Computing kpt #: 145 total cpu time spent up to now is 10.7 secs Computing kpt #: 146 total cpu time spent up to now is 10.8 secs Computing kpt #: 147 total cpu time spent up to now is 10.9 secs Computing kpt #: 148 total cpu time spent up to now is 10.9 secs Computing kpt #: 149 total cpu time spent up to now is 11.0 secs Computing kpt #: 150 total cpu time spent up to now is 11.0 secs Computing kpt #: 151 total cpu time spent up to now is 11.1 secs Computing kpt #: 152 total cpu time spent up to now is 11.2 secs Computing kpt #: 153 total cpu time spent up to now is 11.2 secs Computing kpt #: 154 total cpu time spent up to now is 11.3 secs Computing kpt #: 155 total cpu time spent up to now is 11.4 secs Computing kpt #: 156 total cpu time spent up to now is 11.4 secs Computing kpt #: 157 total cpu time spent up to now is 11.5 secs Computing kpt #: 158 total cpu time spent up to now is 11.6 secs Computing kpt #: 159 total cpu time spent up to now is 11.6 secs Computing kpt #: 160 total cpu time spent up to now is 11.7 secs Computing kpt #: 161 total cpu time spent up to now is 11.8 secs Computing kpt #: 162 total cpu time spent up to now is 11.8 secs Computing kpt #: 163 total cpu time spent up to now is 11.9 secs Computing kpt #: 164 total cpu time spent up to now is 12.0 secs Computing kpt #: 165 total cpu time spent up to now is 12.0 secs Computing kpt #: 166 total cpu time spent up to now is 12.1 secs Computing kpt #: 167 total cpu time spent up to now is 12.2 secs Computing kpt #: 168 total cpu time spent up to now is 12.2 secs Computing kpt #: 169 total cpu time spent up to now is 12.3 secs Computing kpt #: 170 total cpu time spent up to now is 12.4 secs Computing kpt #: 171 total cpu time spent up to now is 12.4 secs Computing kpt #: 172 total cpu time spent up to now is 12.5 secs Computing kpt #: 173 total cpu time spent up to now is 12.6 secs Computing kpt #: 174 total cpu time spent up to now is 12.6 secs Computing kpt #: 175 total cpu time spent up to now is 12.7 secs Computing kpt #: 176 total cpu time spent up to now is 12.8 secs Computing kpt #: 177 total cpu time spent up to now is 12.9 secs Computing kpt #: 178 total cpu time spent up to now is 13.0 secs Computing kpt #: 179 total cpu time spent up to now is 13.1 secs Computing kpt #: 180 total cpu time spent up to now is 13.2 secs Computing kpt #: 181 total cpu time spent up to now is 13.3 secs Computing kpt #: 182 total cpu time spent up to now is 13.3 secs Computing kpt #: 183 total cpu time spent up to now is 13.4 secs Computing kpt #: 184 total cpu time spent up to now is 13.5 secs Computing kpt #: 185 total cpu time spent up to now is 13.5 secs Computing kpt #: 186 total cpu time spent up to now is 13.6 secs Computing kpt #: 187 total cpu time spent up to now is 13.8 secs Computing kpt #: 188 total cpu time spent up to now is 13.9 secs Computing kpt #: 189 total cpu time spent up to now is 14.0 secs Computing kpt #: 190 total cpu time spent up to now is 14.1 secs Computing kpt #: 191 total cpu time spent up to now is 14.1 secs Computing kpt #: 192 total cpu time spent up to now is 14.2 secs Computing kpt #: 193 total cpu time spent up to now is 14.3 secs Computing kpt #: 194 total cpu time spent up to now is 14.4 secs Computing kpt #: 195 total cpu time spent up to now is 14.5 secs Computing kpt #: 196 total cpu time spent up to now is 14.5 secs Computing kpt #: 197 total cpu time spent up to now is 14.6 secs Computing kpt #: 198 total cpu time spent up to now is 14.7 secs Computing kpt #: 199 total cpu time spent up to now is 14.8 secs Computing kpt #: 200 total cpu time spent up to now is 14.8 secs Computing kpt #: 201 total cpu time spent up to now is 14.9 secs Computing kpt #: 202 total cpu time spent up to now is 15.0 secs Computing kpt #: 203 total cpu time spent up to now is 15.1 secs Computing kpt #: 204 total cpu time spent up to now is 15.2 secs Computing kpt #: 205 total cpu time spent up to now is 15.3 secs Computing kpt #: 206 total cpu time spent up to now is 15.4 secs Computing kpt #: 207 total cpu time spent up to now is 15.4 secs Computing kpt #: 208 total cpu time spent up to now is 15.5 secs Computing kpt #: 209 total cpu time spent up to now is 15.6 secs Computing kpt #: 210 total cpu time spent up to now is 15.7 secs Computing kpt #: 211 total cpu time spent up to now is 15.8 secs Computing kpt #: 212 total cpu time spent up to now is 15.8 secs Computing kpt #: 213 total cpu time spent up to now is 15.9 secs Computing kpt #: 214 total cpu time spent up to now is 16.0 secs Computing kpt #: 215 total cpu time spent up to now is 16.1 secs Computing kpt #: 216 total cpu time spent up to now is 16.2 secs Computing kpt #: 217 total cpu time spent up to now is 16.2 secs Computing kpt #: 218 total cpu time spent up to now is 16.3 secs Computing kpt #: 219 total cpu time spent up to now is 16.4 secs Computing kpt #: 220 total cpu time spent up to now is 16.5 secs Computing kpt #: 221 total cpu time spent up to now is 16.5 secs Computing kpt #: 222 total cpu time spent up to now is 16.6 secs Computing kpt #: 223 total cpu time spent up to now is 16.7 secs Computing kpt #: 224 total cpu time spent up to now is 16.7 secs Computing kpt #: 225 total cpu time spent up to now is 16.8 secs Computing kpt #: 226 total cpu time spent up to now is 16.9 secs Computing kpt #: 227 total cpu time spent up to now is 17.0 secs Computing kpt #: 228 total cpu time spent up to now is 17.0 secs Computing kpt #: 229 total cpu time spent up to now is 17.1 secs Computing kpt #: 230 total cpu time spent up to now is 17.2 secs Computing kpt #: 231 total cpu time spent up to now is 17.2 secs Computing kpt #: 232 total cpu time spent up to now is 17.3 secs Computing kpt #: 233 total cpu time spent up to now is 17.4 secs Computing kpt #: 234 total cpu time spent up to now is 17.5 secs Computing kpt #: 235 total cpu time spent up to now is 17.6 secs Computing kpt #: 236 total cpu time spent up to now is 17.7 secs Computing kpt #: 237 total cpu time spent up to now is 17.7 secs Computing kpt #: 238 total cpu time spent up to now is 17.8 secs Computing kpt #: 239 total cpu time spent up to now is 17.9 secs Computing kpt #: 240 total cpu time spent up to now is 18.0 secs Computing kpt #: 241 total cpu time spent up to now is 18.1 secs Computing kpt #: 242 total cpu time spent up to now is 18.2 secs Computing kpt #: 243 total cpu time spent up to now is 18.2 secs Computing kpt #: 244 total cpu time spent up to now is 18.3 secs Computing kpt #: 245 total cpu time spent up to now is 18.4 secs Computing kpt #: 246 total cpu time spent up to now is 18.4 secs Computing kpt #: 247 total cpu time spent up to now is 18.5 secs Computing kpt #: 248 total cpu time spent up to now is 18.6 secs Computing kpt #: 249 total cpu time spent up to now is 18.7 secs Computing kpt #: 250 total cpu time spent up to now is 18.7 secs Computing kpt #: 251 total cpu time spent up to now is 18.8 secs Computing kpt #: 252 total cpu time spent up to now is 18.9 secs Computing kpt #: 253 total cpu time spent up to now is 18.9 secs Computing kpt #: 254 total cpu time spent up to now is 19.0 secs Computing kpt #: 255 total cpu time spent up to now is 19.1 secs Computing kpt #: 256 total cpu time spent up to now is 19.1 secs Computing kpt #: 257 total cpu time spent up to now is 19.2 secs Computing kpt #: 258 total cpu time spent up to now is 19.3 secs Computing kpt #: 259 total cpu time spent up to now is 19.3 secs Computing kpt #: 260 total cpu time spent up to now is 19.4 secs Computing kpt #: 261 total cpu time spent up to now is 19.5 secs Computing kpt #: 262 total cpu time spent up to now is 19.5 secs Computing kpt #: 263 total cpu time spent up to now is 19.6 secs Computing kpt #: 264 total cpu time spent up to now is 19.7 secs Computing kpt #: 265 total cpu time spent up to now is 19.8 secs Computing kpt #: 266 total cpu time spent up to now is 19.8 secs Computing kpt #: 267 total cpu time spent up to now is 19.9 secs Computing kpt #: 268 total cpu time spent up to now is 20.0 secs Computing kpt #: 269 total cpu time spent up to now is 20.0 secs Computing kpt #: 270 total cpu time spent up to now is 20.1 secs Computing kpt #: 271 total cpu time spent up to now is 20.2 secs Computing kpt #: 272 total cpu time spent up to now is 20.2 secs Computing kpt #: 273 total cpu time spent up to now is 20.3 secs Computing kpt #: 274 total cpu time spent up to now is 20.4 secs Computing kpt #: 275 total cpu time spent up to now is 20.4 secs Computing kpt #: 276 total cpu time spent up to now is 20.5 secs Computing kpt #: 277 total cpu time spent up to now is 20.6 secs Computing kpt #: 278 total cpu time spent up to now is 20.6 secs Computing kpt #: 279 total cpu time spent up to now is 20.7 secs Computing kpt #: 280 total cpu time spent up to now is 20.8 secs Computing kpt #: 281 total cpu time spent up to now is 20.8 secs Computing kpt #: 282 total cpu time spent up to now is 20.9 secs Computing kpt #: 283 total cpu time spent up to now is 21.0 secs Computing kpt #: 284 total cpu time spent up to now is 21.0 secs Computing kpt #: 285 total cpu time spent up to now is 21.1 secs Computing kpt #: 286 total cpu time spent up to now is 21.2 secs Computing kpt #: 287 total cpu time spent up to now is 21.2 secs Computing kpt #: 288 total cpu time spent up to now is 21.3 secs Computing kpt #: 289 total cpu time spent up to now is 21.4 secs Computing kpt #: 290 total cpu time spent up to now is 21.4 secs Computing kpt #: 291 total cpu time spent up to now is 21.5 secs Computing kpt #: 292 total cpu time spent up to now is 21.6 secs Computing kpt #: 293 total cpu time spent up to now is 21.6 secs Computing kpt #: 294 total cpu time spent up to now is 21.7 secs Computing kpt #: 295 total cpu time spent up to now is 21.8 secs Computing kpt #: 296 total cpu time spent up to now is 21.8 secs Computing kpt #: 297 total cpu time spent up to now is 21.9 secs Computing kpt #: 298 total cpu time spent up to now is 22.0 secs Computing kpt #: 299 total cpu time spent up to now is 22.0 secs Computing kpt #: 300 total cpu time spent up to now is 22.1 secs Computing kpt #: 301 total cpu time spent up to now is 22.2 secs Computing kpt #: 302 total cpu time spent up to now is 22.3 secs Computing kpt #: 303 total cpu time spent up to now is 22.3 secs Computing kpt #: 304 total cpu time spent up to now is 22.4 secs Computing kpt #: 305 total cpu time spent up to now is 22.5 secs Computing kpt #: 306 total cpu time spent up to now is 22.5 secs Computing kpt #: 307 total cpu time spent up to now is 22.6 secs Computing kpt #: 308 total cpu time spent up to now is 22.7 secs Computing kpt #: 309 total cpu time spent up to now is 22.8 secs Computing kpt #: 310 total cpu time spent up to now is 22.9 secs Computing kpt #: 311 total cpu time spent up to now is 23.0 secs Computing kpt #: 312 total cpu time spent up to now is 23.1 secs Computing kpt #: 313 total cpu time spent up to now is 23.1 secs Computing kpt #: 314 total cpu time spent up to now is 23.2 secs Computing kpt #: 315 total cpu time spent up to now is 23.3 secs Computing kpt #: 316 total cpu time spent up to now is 23.4 secs Computing kpt #: 317 total cpu time spent up to now is 23.5 secs Computing kpt #: 318 total cpu time spent up to now is 23.6 secs Computing kpt #: 319 total cpu time spent up to now is 23.7 secs Computing kpt #: 320 total cpu time spent up to now is 23.8 secs Computing kpt #: 321 total cpu time spent up to now is 23.9 secs Computing kpt #: 322 total cpu time spent up to now is 24.0 secs Computing kpt #: 323 total cpu time spent up to now is 24.1 secs Computing kpt #: 324 total cpu time spent up to now is 24.2 secs Computing kpt #: 325 total cpu time spent up to now is 24.4 secs Computing kpt #: 326 total cpu time spent up to now is 24.5 secs Computing kpt #: 327 total cpu time spent up to now is 24.6 secs Computing kpt #: 328 total cpu time spent up to now is 24.7 secs Computing kpt #: 329 total cpu time spent up to now is 24.7 secs Computing kpt #: 330 total cpu time spent up to now is 24.8 secs Computing kpt #: 331 total cpu time spent up to now is 24.9 secs Computing kpt #: 332 total cpu time spent up to now is 25.0 secs Computing kpt #: 333 total cpu time spent up to now is 25.1 secs Computing kpt #: 334 total cpu time spent up to now is 25.2 secs Computing kpt #: 335 total cpu time spent up to now is 25.2 secs Computing kpt #: 336 total cpu time spent up to now is 25.3 secs Computing kpt #: 337 total cpu time spent up to now is 25.4 secs Computing kpt #: 338 total cpu time spent up to now is 25.5 secs Computing kpt #: 339 total cpu time spent up to now is 25.6 secs Computing kpt #: 340 total cpu time spent up to now is 25.7 secs Computing kpt #: 341 total cpu time spent up to now is 25.8 secs Computing kpt #: 342 total cpu time spent up to now is 25.9 secs Computing kpt #: 343 total cpu time spent up to now is 26.0 secs Computing kpt #: 344 total cpu time spent up to now is 26.1 secs Computing kpt #: 345 total cpu time spent up to now is 26.2 secs Computing kpt #: 346 total cpu time spent up to now is 26.3 secs Computing kpt #: 347 total cpu time spent up to now is 26.4 secs Computing kpt #: 348 total cpu time spent up to now is 26.5 secs Computing kpt #: 349 total cpu time spent up to now is 26.6 secs Computing kpt #: 350 total cpu time spent up to now is 26.7 secs Computing kpt #: 351 total cpu time spent up to now is 26.8 secs Computing kpt #: 352 total cpu time spent up to now is 26.9 secs Computing kpt #: 353 total cpu time spent up to now is 27.0 secs Computing kpt #: 354 total cpu time spent up to now is 27.0 secs Computing kpt #: 355 total cpu time spent up to now is 27.1 secs Computing kpt #: 356 total cpu time spent up to now is 27.2 secs Computing kpt #: 357 total cpu time spent up to now is 27.3 secs Computing kpt #: 358 total cpu time spent up to now is 27.4 secs Computing kpt #: 359 total cpu time spent up to now is 27.5 secs Computing kpt #: 360 total cpu time spent up to now is 27.6 secs Computing kpt #: 361 total cpu time spent up to now is 27.6 secs Computing kpt #: 362 total cpu time spent up to now is 27.7 secs Computing kpt #: 363 total cpu time spent up to now is 27.8 secs Computing kpt #: 364 total cpu time spent up to now is 27.9 secs Computing kpt #: 365 total cpu time spent up to now is 27.9 secs Computing kpt #: 366 total cpu time spent up to now is 28.0 secs Computing kpt #: 367 total cpu time spent up to now is 28.1 secs Computing kpt #: 368 total cpu time spent up to now is 28.1 secs Computing kpt #: 369 total cpu time spent up to now is 28.2 secs Computing kpt #: 370 total cpu time spent up to now is 28.3 secs Computing kpt #: 371 total cpu time spent up to now is 28.3 secs Computing kpt #: 372 total cpu time spent up to now is 28.4 secs Computing kpt #: 373 total cpu time spent up to now is 28.5 secs Computing kpt #: 374 total cpu time spent up to now is 28.5 secs Computing kpt #: 375 total cpu time spent up to now is 28.6 secs Computing kpt #: 376 total cpu time spent up to now is 28.7 secs Computing kpt #: 377 total cpu time spent up to now is 28.8 secs Computing kpt #: 378 total cpu time spent up to now is 28.9 secs Computing kpt #: 379 total cpu time spent up to now is 29.0 secs Computing kpt #: 380 total cpu time spent up to now is 29.1 secs Computing kpt #: 381 total cpu time spent up to now is 29.2 secs Computing kpt #: 382 total cpu time spent up to now is 29.3 secs Computing kpt #: 383 total cpu time spent up to now is 29.4 secs Computing kpt #: 384 total cpu time spent up to now is 29.5 secs Computing kpt #: 385 total cpu time spent up to now is 29.5 secs Computing kpt #: 386 total cpu time spent up to now is 29.6 secs Computing kpt #: 387 total cpu time spent up to now is 29.7 secs Computing kpt #: 388 total cpu time spent up to now is 29.8 secs Computing kpt #: 389 total cpu time spent up to now is 29.9 secs Computing kpt #: 390 total cpu time spent up to now is 29.9 secs Computing kpt #: 391 total cpu time spent up to now is 30.0 secs Computing kpt #: 392 total cpu time spent up to now is 30.1 secs Computing kpt #: 393 total cpu time spent up to now is 30.2 secs Computing kpt #: 394 total cpu time spent up to now is 30.2 secs Computing kpt #: 395 total cpu time spent up to now is 30.3 secs Computing kpt #: 396 total cpu time spent up to now is 30.4 secs Computing kpt #: 397 total cpu time spent up to now is 30.4 secs Computing kpt #: 398 total cpu time spent up to now is 30.5 secs Computing kpt #: 399 total cpu time spent up to now is 30.6 secs Computing kpt #: 400 total cpu time spent up to now is 30.7 secs Computing kpt #: 401 total cpu time spent up to now is 30.7 secs Computing kpt #: 402 total cpu time spent up to now is 30.8 secs Computing kpt #: 403 total cpu time spent up to now is 30.9 secs Computing kpt #: 404 total cpu time spent up to now is 30.9 secs Computing kpt #: 405 total cpu time spent up to now is 31.0 secs Computing kpt #: 406 total cpu time spent up to now is 31.1 secs Computing kpt #: 407 total cpu time spent up to now is 31.2 secs Computing kpt #: 408 total cpu time spent up to now is 31.2 secs Computing kpt #: 409 total cpu time spent up to now is 31.3 secs Computing kpt #: 410 total cpu time spent up to now is 31.4 secs Computing kpt #: 411 total cpu time spent up to now is 31.5 secs Computing kpt #: 412 total cpu time spent up to now is 31.5 secs Computing kpt #: 413 total cpu time spent up to now is 31.6 secs Computing kpt #: 414 total cpu time spent up to now is 31.7 secs Computing kpt #: 415 total cpu time spent up to now is 31.7 secs Computing kpt #: 416 total cpu time spent up to now is 31.8 secs Computing kpt #: 417 total cpu time spent up to now is 31.9 secs Computing kpt #: 418 total cpu time spent up to now is 32.0 secs Computing kpt #: 419 total cpu time spent up to now is 32.0 secs Computing kpt #: 420 total cpu time spent up to now is 32.1 secs Computing kpt #: 421 total cpu time spent up to now is 32.1 secs Computing kpt #: 422 total cpu time spent up to now is 32.2 secs Computing kpt #: 423 total cpu time spent up to now is 32.3 secs Computing kpt #: 424 total cpu time spent up to now is 32.3 secs ethr = 1.67E-07, avg # of iterations = 11.7 total cpu time spent up to now is 32.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5143 PWs) bands (ev): -45.8366 -45.8366 -45.8220 -45.8220 -2.7445 -2.7445 0.7491 0.7491 3.4857 3.4857 12.7993 12.7993 12.7999 12.7999 k = 0.0085 0.0049-0.0000 ( 5143 PWs) bands (ev): -45.8366 -45.8366 -45.8220 -45.8220 -2.7434 -2.7434 0.7506 0.7506 3.4862 3.4862 12.7853 12.7853 12.7881 12.7881 k = 0.0169 0.0098-0.0000 ( 5135 PWs) bands (ev): -45.8366 -45.8366 -45.8220 -45.8220 -2.7400 -2.7400 0.7550 0.7550 3.4876 3.4876 12.7432 12.7432 12.7546 12.7546 k = 0.0254 0.0147-0.0000 ( 5131 PWs) bands (ev): -45.8365 -45.8365 -45.8220 -45.8220 -2.7344 -2.7344 0.7622 0.7622 3.4901 3.4901 12.6745 12.6745 12.7019 12.7019 k = 0.0339 0.0196-0.0000 ( 5143 PWs) bands (ev): -45.8365 -45.8365 -45.8219 -45.8219 -2.7265 -2.7265 0.7725 0.7725 3.4935 3.4935 12.5815 12.5815 12.6335 12.6335 k = 0.0424 0.0245-0.0000 ( 5133 PWs) bands (ev): -45.8364 -45.8364 -45.8219 -45.8219 -2.7164 -2.7164 0.7856 0.7856 3.4978 3.4978 12.4667 12.4667 12.5529 12.5529 k = 0.0508 0.0294-0.0000 ( 5137 PWs) bands (ev): -45.8363 -45.8363 -45.8218 -45.8218 -2.7041 -2.7041 0.8016 0.8016 3.5032 3.5032 12.3328 12.3328 12.4631 12.4631 k = 0.0593 0.0342-0.0000 ( 5127 PWs) bands (ev): -45.8362 -45.8362 -45.8218 -45.8218 -2.6894 -2.6894 0.8206 0.8206 3.5094 3.5094 12.1826 12.1826 12.3665 12.3665 k = 0.0678 0.0391-0.0000 ( 5123 PWs) bands (ev): -45.8360 -45.8360 -45.8217 -45.8217 -2.6726 -2.6726 0.8425 0.8425 3.5166 3.5166 12.0186 12.0186 12.2651 12.2651 k = 0.0763 0.0440-0.0000 ( 5117 PWs) bands (ev): -45.8358 -45.8358 -45.8216 -45.8216 -2.6535 -2.6535 0.8673 0.8673 3.5247 3.5247 11.8432 11.8432 12.1603 12.1603 k = 0.0847 0.0489-0.0000 ( 5121 PWs) bands (ev): -45.8357 -45.8357 -45.8216 -45.8216 -2.6321 -2.6321 0.8950 0.8950 3.5336 3.5336 11.6584 11.6584 12.0533 12.0533 k = 0.0932 0.0538-0.0000 ( 5117 PWs) bands (ev): -45.8355 -45.8355 -45.8215 -45.8215 -2.6085 -2.6085 0.9256 0.9256 3.5434 3.5434 11.4662 11.4662 11.9449 11.9449 k = 0.1017 0.0587-0.0000 ( 5117 PWs) bands (ev): -45.8353 -45.8353 -45.8214 -45.8214 -2.5826 -2.5826 0.9591 0.9591 3.5540 3.5540 11.2679 11.2679 11.8358 11.8358 k = 0.1102 0.0636-0.0000 ( 5121 PWs) bands (ev): -45.8351 -45.8351 -45.8213 -45.8213 -2.5545 -2.5545 0.9955 0.9955 3.5654 3.5654 11.0651 11.0651 11.7265 11.7265 k = 0.1186 0.0685-0.0000 ( 5129 PWs) bands (ev): -45.8348 -45.8348 -45.8212 -45.8212 -2.5241 -2.5241 1.0349 1.0349 3.5775 3.5775 10.8588 10.8588 11.6176 11.6176 k = 0.1271 0.0734-0.0000 ( 5131 PWs) bands (ev): -45.8346 -45.8346 -45.8211 -45.8211 -2.4915 -2.4915 1.0771 1.0771 3.5903 3.5903 10.6501 10.6501 11.5093 11.5093 k = 0.1356 0.0783-0.0000 ( 5127 PWs) bands (ev): -45.8343 -45.8343 -45.8209 -45.8209 -2.4566 -2.4566 1.1223 1.1223 3.6037 3.6037 10.4400 10.4400 11.4019 11.4019 k = 0.1441 0.0832-0.0000 ( 5111 PWs) bands (ev): -45.8340 -45.8340 -45.8208 -45.8208 -2.4195 -2.4195 1.1704 1.1704 3.6176 3.6176 10.2290 10.2290 11.2957 11.2957 k = 0.1525 0.0881-0.0000 ( 5103 PWs) bands (ev): -45.8338 -45.8338 -45.8207 -45.8207 -2.3801 -2.3801 1.2213 1.2213 3.6319 3.6319 10.0180 10.0180 11.1909 11.1909 k = 0.1610 0.0930-0.0000 ( 5103 PWs) bands (ev): -45.8334 -45.8334 -45.8205 -45.8205 -2.3384 -2.3384 1.2752 1.2752 3.6466 3.6466 9.8076 9.8076 11.0877 11.0877 k = 0.1695 0.0979-0.0000 ( 5099 PWs) bands (ev): -45.8331 -45.8331 -45.8204 -45.8204 -2.2945 -2.2945 1.3319 1.3319 3.6615 3.6615 9.5983 9.5983 10.9862 10.9862 k = 0.1780 0.1027-0.0000 ( 5099 PWs) bands (ev): -45.8328 -45.8328 -45.8203 -45.8203 -2.2484 -2.2484 1.3916 1.3916 3.6764 3.6764 9.3907 9.3907 10.8865 10.8865 k = 0.1864 0.1076-0.0000 ( 5095 PWs) bands (ev): -45.8325 -45.8325 -45.8201 -45.8201 -2.2000 -2.2000 1.4541 1.4541 3.6913 3.6913 9.1853 9.1853 10.7887 10.7887 k = 0.1949 0.1125-0.0000 ( 5093 PWs) bands (ev): -45.8321 -45.8321 -45.8200 -45.8200 -2.1493 -2.1493 1.5195 1.5195 3.7058 3.7058 8.9825 8.9825 10.6930 10.6930 k = 0.2034 0.1174-0.0000 ( 5093 PWs) bands (ev): -45.8318 -45.8318 -45.8198 -45.8198 -2.0964 -2.0964 1.5878 1.5878 3.7197 3.7197 8.7829 8.7829 10.5994 10.5994 k = 0.2119 0.1223-0.0000 ( 5095 PWs) bands (ev): -45.8314 -45.8314 -45.8197 -45.8197 -2.0413 -2.0413 1.6590 1.6590 3.7329 3.7329 8.5870 8.5870 10.5080 10.5080 k = 0.2203 0.1272-0.0000 ( 5097 PWs) bands (ev): -45.8311 -45.8311 -45.8195 -45.8195 -1.9839 -1.9839 1.7331 1.7331 3.7449 3.7449 8.3952 8.3952 10.4188 10.4188 k = 0.2288 0.1321-0.0000 ( 5094 PWs) bands (ev): -45.8307 -45.8307 -45.8194 -45.8194 -1.9242 -1.9242 1.8100 1.8100 3.7554 3.7554 8.2082 8.2082 10.3320 10.3320 k = 0.2373 0.1370-0.0000 ( 5090 PWs) bands (ev): -45.8303 -45.8303 -45.8192 -45.8192 -1.8624 -1.8624 1.8897 1.8897 3.7640 3.7640 8.0264 8.0264 10.2475 10.2475 k = 0.2458 0.1419-0.0000 ( 5090 PWs) bands (ev): -45.8300 -45.8300 -45.8191 -45.8191 -1.7983 -1.7983 1.9724 1.9724 3.7702 3.7702 7.8506 7.8506 10.1654 10.1654 k = 0.2542 0.1468-0.0000 ( 5090 PWs) bands (ev): -45.8296 -45.8296 -45.8190 -45.8190 -1.7320 -1.7320 2.0578 2.0578 3.7734 3.7734 7.6814 7.6814 10.0857 10.0857 k = 0.2627 0.1517-0.0000 ( 5090 PWs) bands (ev): -45.8292 -45.8292 -45.8188 -45.8188 -1.6635 -1.6635 2.1461 2.1461 3.7730 3.7730 7.5195 7.5195 10.0085 10.0085 k = 0.2712 0.1566-0.0000 ( 5098 PWs) bands (ev): -45.8288 -45.8288 -45.8187 -45.8187 -1.5928 -1.5928 2.2373 2.2373 3.7683 3.7683 7.3657 7.3657 9.9338 9.9338 k = 0.2797 0.1615-0.0000 ( 5098 PWs) bands (ev): -45.8284 -45.8284 -45.8186 -45.8186 -1.5199 -1.5199 2.3312 2.3312 3.7586 3.7586 7.2209 7.2209 9.8617 9.8617 k = 0.2881 0.1664-0.0000 ( 5086 PWs) bands (ev): -45.8281 -45.8281 -45.8184 -45.8184 -1.4448 -1.4448 2.4279 2.4279 3.7431 3.7431 7.0858 7.0858 9.7921 9.7921 k = 0.2966 0.1712-0.0000 ( 5082 PWs) bands (ev): -45.8277 -45.8277 -45.8183 -45.8183 -1.3676 -1.3676 2.5275 2.5275 3.7211 3.7211 6.9614 6.9614 9.7252 9.7252 k = 0.3051 0.1761-0.0000 ( 5080 PWs) bands (ev): -45.8273 -45.8273 -45.8182 -45.8182 -1.2882 -1.2882 2.6298 2.6298 3.6917 3.6917 6.8485 6.8485 9.6608 9.6608 k = 0.3136 0.1810-0.0000 ( 5072 PWs) bands (ev): -45.8269 -45.8269 -45.8181 -45.8181 -1.2067 -1.2067 2.7348 2.7348 3.6543 3.6543 6.7477 6.7477 9.5991 9.5991 k = 0.3220 0.1859-0.0000 ( 5078 PWs) bands (ev): -45.8266 -45.8266 -45.8180 -45.8180 -1.1232 -1.1232 2.8426 2.8426 3.6085 3.6085 6.6596 6.6596 9.5400 9.5400 k = 0.3305 0.1908-0.0000 ( 5078 PWs) bands (ev): -45.8262 -45.8262 -45.8179 -45.8179 -1.0376 -1.0376 2.9530 2.9530 3.5538 3.5538 6.5845 6.5845 9.4835 9.4835 k = 0.3390 0.1957-0.0000 ( 5082 PWs) bands (ev): -45.8258 -45.8258 -45.8178 -45.8178 -0.9500 -0.9500 3.0662 3.0662 3.4902 3.4902 6.5226 6.5226 9.4298 9.4298 k = 0.3475 0.2006-0.0000 ( 5088 PWs) bands (ev): -45.8255 -45.8255 -45.8177 -45.8177 -0.8605 -0.8605 3.1819 3.1819 3.4179 3.4179 6.4736 6.4736 9.3787 9.3787 k = 0.3559 0.2055-0.0000 ( 5084 PWs) bands (ev): -45.8252 -45.8252 -45.8176 -45.8176 -0.7691 -0.7691 3.3003 3.3003 3.3373 3.3373 6.4372 6.4372 9.1828 9.3303 k = 0.3644 0.2104-0.0000 ( 5092 PWs) bands (ev): -45.8248 -45.8248 -45.8175 -45.8175 -0.6759 -0.6759 3.2491 3.2491 3.4211 3.4211 6.4127 6.4127 8.9744 8.9744 k = 0.3729 0.2153-0.0000 ( 5088 PWs) bands (ev): -45.8245 -45.8245 -45.8175 -45.8175 -0.5809 -0.5809 3.1540 3.1540 3.5444 3.5444 6.3992 6.3992 8.7685 8.7685 k = 0.3814 0.2202-0.0000 ( 5086 PWs) bands (ev): -45.8242 -45.8242 -45.8174 -45.8174 -0.4844 -0.4844 3.0529 3.0529 3.6700 3.6700 6.3958 6.3958 8.5653 8.5653 k = 0.3898 0.2251-0.0000 ( 5074 PWs) bands (ev): -45.8239 -45.8239 -45.8173 -45.8173 -0.3864 -0.3864 2.9469 2.9469 3.7979 3.7979 6.4014 6.4014 8.3649 8.3649 k = 0.3983 0.2300-0.0000 ( 5078 PWs) bands (ev): -45.8236 -45.8236 -45.8173 -45.8173 -0.2871 -0.2871 2.8370 2.8370 3.9278 3.9278 6.4149 6.4149 8.1677 8.1677 k = 0.4068 0.2349-0.0000 ( 5074 PWs) bands (ev): -45.8234 -45.8234 -45.8173 -45.8173 -0.1868 -0.1868 2.7241 2.7241 4.0597 4.0597 6.4352 6.4352 7.9738 7.9738 k = 0.4153 0.2397-0.0000 ( 5080 PWs) bands (ev): -45.8231 -45.8231 -45.8172 -45.8172 -0.0857 -0.0857 2.6094 2.6094 4.1931 4.1931 6.4611 6.4611 7.7835 7.7835 k = 0.4237 0.2446-0.0000 ( 5084 PWs) bands (ev): -45.8229 -45.8229 -45.8172 -45.8172 0.0157 0.0157 2.4938 2.4938 4.3278 4.3278 6.4915 6.4915 7.5973 7.5973 k = 0.4322 0.2495-0.0000 ( 5076 PWs) bands (ev): -45.8227 -45.8227 -45.8172 -45.8172 0.1168 0.1168 2.3787 2.3787 4.4631 4.4631 6.5252 6.5252 7.4158 7.4158 k = 0.4407 0.2544-0.0000 ( 5068 PWs) bands (ev): -45.8225 -45.8225 -45.8172 -45.8172 0.2169 0.2169 2.2651 2.2651 4.5984 4.5984 6.5606 6.5606 7.2397 7.2397 k = 0.4492 0.2593-0.0000 ( 5076 PWs) bands (ev): -45.8223 -45.8223 -45.8172 -45.8172 0.3148 0.3148 2.1547 2.1547 4.7324 4.7324 6.5966 6.5966 7.0702 7.0702 k = 0.4576 0.2642-0.0000 ( 5080 PWs) bands (ev): -45.8222 -45.8222 -45.8172 -45.8172 0.4088 0.4088 2.0496 2.0496 4.8634 4.8634 6.6314 6.6314 6.9093 6.9093 k = 0.4661 0.2691-0.0000 ( 5078 PWs) bands (ev): -45.8221 -45.8221 -45.8172 -45.8172 0.4966 0.4966 1.9524 1.9524 4.9883 4.9883 6.6635 6.6635 6.7598 6.7598 k = 0.4746 0.2740-0.0000 ( 5074 PWs) bands (ev): -45.8220 -45.8220 -45.8172 -45.8172 0.5744 0.5744 1.8669 1.8669 5.1024 5.1024 6.6266 6.6266 6.6909 6.6909 k = 0.4831 0.2789-0.0000 ( 5070 PWs) bands (ev): -45.8219 -45.8219 -45.8172 -45.8172 0.6373 0.6373 1.7985 1.7985 5.1980 5.1980 6.5173 6.5173 6.7121 6.7121 k = 0.4915 0.2838-0.0000 ( 5070 PWs) bands (ev): -45.8219 -45.8219 -45.8172 -45.8172 0.6790 0.6790 1.7534 1.7534 5.2638 5.2638 6.4433 6.4433 6.7256 6.7256 k = 0.5000 0.2887-0.0000 ( 5066 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.6938 0.6938 1.7375 1.7375 5.2877 5.2877 6.4167 6.4167 6.7301 6.7301 k = 0.5000 0.2887-0.0000 ( 5066 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.6938 0.6938 1.7375 1.7375 5.2877 5.2877 6.4167 6.4167 6.7301 6.7301 k = 0.4951 0.2972-0.0000 ( 5064 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.6952 0.6952 1.7386 1.7386 5.2892 5.2892 6.4180 6.4180 6.7303 6.7303 k = 0.4902 0.3057-0.0000 ( 5066 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.6994 0.6994 1.7420 1.7420 5.2935 5.2935 6.4219 6.4219 6.7309 6.7309 k = 0.4853 0.3141-0.0000 ( 5070 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.7064 0.7064 1.7476 1.7476 5.3008 5.3008 6.4285 6.4285 6.7318 6.7318 k = 0.4804 0.3226-0.0000 ( 5062 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.7161 0.7161 1.7554 1.7554 5.3109 5.3109 6.4377 6.4377 6.7330 6.7330 k = 0.4755 0.3311-0.0000 ( 5062 PWs) bands (ev): -45.8217 -45.8217 -45.8172 -45.8172 0.7287 0.7287 1.7654 1.7654 5.3240 5.3240 6.4494 6.4494 6.7346 6.7346 k = 0.4706 0.3396-0.0000 ( 5076 PWs) bands (ev): -45.8217 -45.8217 -45.8172 -45.8172 0.7440 0.7440 1.7776 1.7776 5.3399 5.3399 6.4638 6.4638 6.7364 6.7364 k = 0.4657 0.3481-0.0000 ( 5076 PWs) bands (ev): -45.8216 -45.8216 -45.8172 -45.8172 0.7622 0.7622 1.7921 1.7921 5.3587 5.3587 6.4807 6.4807 6.7386 6.7386 k = 0.4608 0.3566-0.0000 ( 5080 PWs) bands (ev): -45.8216 -45.8216 -45.8172 -45.8172 0.7831 0.7831 1.8087 1.8087 5.3805 5.3805 6.5002 6.5002 6.7411 6.7411 k = 0.4559 0.3651-0.0000 ( 5080 PWs) bands (ev): -45.8215 -45.8215 -45.8172 -45.8172 0.8067 0.8067 1.8275 1.8275 5.4051 5.4051 6.5221 6.5221 6.7439 6.7439 k = 0.4510 0.3736-0.0000 ( 5080 PWs) bands (ev): -45.8214 -45.8214 -45.8172 -45.8172 0.8332 0.8332 1.8485 1.8485 5.4326 5.4326 6.5465 6.5465 6.7469 6.7469 k = 0.4461 0.3821-0.0000 ( 5090 PWs) bands (ev): -45.8213 -45.8213 -45.8172 -45.8172 0.8623 0.8623 1.8716 1.8716 5.4630 5.4630 6.5732 6.5732 6.6646 6.6646 k = 0.4412 0.3906-0.0000 ( 5090 PWs) bands (ev): -45.8212 -45.8212 -45.8172 -45.8172 0.8943 0.8943 1.8968 1.8968 5.4963 5.4963 6.4795 6.4795 6.6023 6.6023 k = 0.4363 0.3991-0.0000 ( 5090 PWs) bands (ev): -45.8211 -45.8211 -45.8172 -45.8172 0.9289 0.9289 1.9242 1.9242 5.5325 5.5325 6.2941 6.2941 6.6337 6.6337 k = 0.4314 0.4075-0.0000 ( 5086 PWs) bands (ev): -45.8210 -45.8210 -45.8172 -45.8172 0.9662 0.9662 1.9536 1.9536 5.5716 5.5716 6.1086 6.1086 6.6671 6.6672 k = 0.4265 0.4160-0.0000 ( 5090 PWs) bands (ev): -45.8209 -45.8209 -45.8172 -45.8172 1.0063 1.0063 1.9851 1.9851 5.6136 5.6136 5.9234 5.9234 6.7027 6.7027 k = 0.4216 0.4245-0.0000 ( 5094 PWs) bands (ev): -45.8208 -45.8208 -45.8172 -45.8172 1.0490 1.0490 2.0186 2.0186 5.6584 5.6584 5.7388 5.7388 6.7401 6.7679 k = 0.4167 0.4330-0.0000 ( 5088 PWs) bands (ev): -45.8207 -45.8207 -45.8172 -45.8172 1.0943 1.0943 2.0541 2.0541 5.5549 5.5549 5.7062 5.7062 6.7718 6.7718 k = 0.4118 0.4415-0.0000 ( 5090 PWs) bands (ev): -45.8205 -45.8205 -45.8173 -45.8173 1.1422 1.1422 2.0915 2.0915 5.3722 5.3722 5.7568 5.7568 6.7755 6.7755 k = 0.4069 0.4500-0.0000 ( 5092 PWs) bands (ev): -45.8204 -45.8204 -45.8173 -45.8173 1.1927 1.1927 2.1309 2.1309 5.1906 5.1906 5.8103 5.8103 6.7791 6.7791 k = 0.4020 0.4585-0.0000 ( 5088 PWs) bands (ev): -45.8203 -45.8203 -45.8173 -45.8173 1.2456 1.2456 2.1721 2.1721 5.0106 5.0106 5.8666 5.8666 6.7825 6.7825 k = 0.3971 0.4670-0.0000 ( 5092 PWs) bands (ev): -45.8201 -45.8201 -45.8173 -45.8173 1.3010 1.3010 2.2152 2.2152 4.8322 4.8322 5.9258 5.9258 6.7858 6.7858 k = 0.3922 0.4755-0.0000 ( 5092 PWs) bands (ev): -45.8200 -45.8200 -45.8174 -45.8174 1.3588 1.3588 2.2600 2.2600 4.6558 4.6558 5.9879 5.9879 6.7888 6.7889 k = 0.3873 0.4840-0.0000 ( 5092 PWs) bands (ev): -45.8198 -45.8198 -45.8174 -45.8174 1.4187 1.4187 2.3066 2.3066 4.4814 4.4814 6.0529 6.0529 6.7917 6.7917 k = 0.3824 0.4924-0.0000 ( 5096 PWs) bands (ev): -45.8197 -45.8197 -45.8175 -45.8175 1.4807 1.4807 2.3548 2.3548 4.3095 4.3095 6.1207 6.1207 6.7942 6.7942 k = 0.3775 0.5009-0.0000 ( 5098 PWs) bands (ev): -45.8196 -45.8196 -45.8175 -45.8175 1.5445 1.5445 2.4046 2.4046 4.1402 4.1402 6.1913 6.1913 6.7964 6.7964 k = 0.3725 0.5094-0.0000 ( 5094 PWs) bands (ev): -45.8194 -45.8194 -45.8176 -45.8176 1.6099 1.6099 2.4559 2.4559 3.9739 3.9739 6.2648 6.2648 6.7982 6.7982 k = 0.3676 0.5179-0.0000 ( 5098 PWs) bands (ev): -45.8193 -45.8193 -45.8176 -45.8176 1.6764 1.6764 2.5086 2.5086 3.8112 3.8112 6.3412 6.3412 6.7998 6.7998 k = 0.3627 0.5264-0.0000 ( 5092 PWs) bands (ev): -45.8191 -45.8191 -45.8177 -45.8177 1.7434 1.7434 2.5626 2.5626 3.6527 3.6527 6.4204 6.4204 6.8009 6.8009 k = 0.3578 0.5349-0.0000 ( 5096 PWs) bands (ev): -45.8190 -45.8190 -45.8178 -45.8178 1.8100 1.8100 2.6179 2.6179 3.4994 3.4994 6.5024 6.5024 6.8018 6.8018 k = 0.3529 0.5434-0.0000 ( 5098 PWs) bands (ev): -45.8188 -45.8188 -45.8179 -45.8179 1.8746 1.8746 2.6744 2.6744 3.3528 3.3528 6.5872 6.5872 6.8023 6.8023 k = 0.3480 0.5519-0.0000 ( 5102 PWs) bands (ev): -45.8187 -45.8187 -45.8180 -45.8180 1.9348 1.9348 2.7318 2.7318 3.2154 3.2154 6.6749 6.6749 6.8025 6.8025 k = 0.3431 0.5604-0.0000 ( 5106 PWs) bands (ev): -45.8186 -45.8186 -45.8181 -45.8181 1.9869 1.9869 2.7902 2.7902 3.0911 3.0911 6.7654 6.7654 6.8026 6.8026 k = 0.3382 0.5689-0.0000 ( 5108 PWs) bands (ev): -45.8184 -45.8184 -45.8182 -45.8182 2.0246 2.0246 2.8493 2.8493 2.9861 2.9861 6.8026 6.8026 6.8586 6.8586 k = 0.3333 0.5774-0.0000 ( 5112 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.0393 2.0393 2.9089 2.9089 2.9090 2.9090 6.8025 6.8025 6.9547 6.9547 k = 0.3333 0.5774-0.0000 ( 5112 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.0393 2.0393 2.9089 2.9089 2.9090 2.9090 6.8025 6.8025 6.9547 6.9547 k = 0.3284 0.5689-0.0000 ( 5104 PWs) bands (ev): -45.8184 -45.8184 -45.8182 -45.8182 2.0223 2.0223 2.8685 2.8685 2.9691 2.9691 6.8026 6.8026 6.8490 6.8490 k = 0.3235 0.5604-0.0000 ( 5104 PWs) bands (ev): -45.8186 -45.8186 -45.8181 -45.8181 1.9706 1.9706 2.8677 2.8677 3.0295 3.0295 6.7291 6.7291 6.8030 6.8030 k = 0.3186 0.5519-0.0000 ( 5100 PWs) bands (ev): -45.8187 -45.8187 -45.8180 -45.8180 1.8897 1.8897 2.9010 2.9010 3.0900 3.0900 6.5980 6.5980 6.8039 6.8039 k = 0.3137 0.5434-0.0000 ( 5096 PWs) bands (ev): -45.8189 -45.8189 -45.8178 -45.8178 1.7887 1.7887 2.9596 2.9596 3.1503 3.1503 6.4586 6.4586 6.8054 6.8054 k = 0.3088 0.5349-0.0000 ( 5092 PWs) bands (ev): -45.8190 -45.8190 -45.8177 -45.8177 1.6752 1.6752 3.0355 3.0355 3.2102 3.2102 6.3132 6.3132 6.8080 6.8080 k = 0.3039 0.5264-0.0000 ( 5100 PWs) bands (ev): -45.8192 -45.8192 -45.8177 -45.8177 1.5546 1.5546 3.1236 3.1236 3.2696 3.2696 6.1638 6.1638 6.8117 6.8117 k = 0.2990 0.5179-0.0000 ( 5096 PWs) bands (ev): -45.8194 -45.8194 -45.8176 -45.8176 1.4302 1.4302 3.2206 3.2206 3.3281 3.3281 6.0117 6.0117 6.8169 6.8169 k = 0.2941 0.5094-0.0000 ( 5096 PWs) bands (ev): -45.8196 -45.8196 -45.8175 -45.8175 1.3039 1.3039 3.3244 3.3244 3.3855 3.3855 5.8581 5.8581 6.8239 6.8239 k = 0.2892 0.5009-0.0000 ( 5086 PWs) bands (ev): -45.8198 -45.8198 -45.8174 -45.8174 1.1770 1.1770 3.4338 3.4338 3.4415 3.4415 5.7038 5.7038 6.8332 6.8332 k = 0.2843 0.4924-0.0000 ( 5072 PWs) bands (ev): -45.8200 -45.8200 -45.8173 -45.8173 1.0504 1.0504 3.4958 3.4958 3.5479 3.5479 5.5496 5.5496 6.8449 6.8449 k = 0.2794 0.4840-0.0000 ( 5076 PWs) bands (ev): -45.8203 -45.8203 -45.8173 -45.8173 0.9246 0.9246 3.5482 3.5482 3.6663 3.6663 5.3959 5.3959 6.8595 6.8595 k = 0.2745 0.4755-0.0000 ( 5072 PWs) bands (ev): -45.8205 -45.8205 -45.8172 -45.8172 0.8000 0.8000 3.5983 3.5983 3.7885 3.7885 5.2432 5.2432 6.8773 6.8773 k = 0.2696 0.4670-0.0000 ( 5072 PWs) bands (ev): -45.8208 -45.8208 -45.8172 -45.8172 0.6768 0.6768 3.6459 3.6459 3.9143 3.9143 5.0917 5.0917 6.8987 6.8987 k = 0.2647 0.4585-0.0000 ( 5072 PWs) bands (ev): -45.8210 -45.8210 -45.8172 -45.8172 0.5552 0.5552 3.6907 3.6907 4.0435 4.0435 4.9418 4.9418 6.9240 6.9240 k = 0.2598 0.4500-0.0000 ( 5074 PWs) bands (ev): -45.8213 -45.8213 -45.8171 -45.8171 0.4354 0.4354 3.7324 3.7324 4.1759 4.1759 4.7937 4.7937 6.9536 6.9536 k = 0.2549 0.4415-0.0000 ( 5066 PWs) bands (ev): -45.8216 -45.8216 -45.8171 -45.8171 0.3175 0.3175 3.7710 3.7710 4.3113 4.3113 4.6474 4.6474 6.9877 6.9877 k = 0.2500 0.4330-0.0000 ( 5065 PWs) bands (ev): -45.8219 -45.8219 -45.8171 -45.8171 0.2016 0.2016 3.8061 3.8061 4.4498 4.4498 4.5032 4.5032 7.0266 7.0266 k = 0.2451 0.4245-0.0000 ( 5069 PWs) bands (ev): -45.8222 -45.8222 -45.8171 -45.8171 0.0877 0.0877 3.8377 3.8377 4.3612 4.3612 4.5912 4.5912 7.0706 7.0706 k = 0.2402 0.4160-0.0000 ( 5057 PWs) bands (ev): -45.8225 -45.8225 -45.8171 -45.8171 -0.0241 -0.0241 3.8656 3.8656 4.2215 4.2215 4.7354 4.7354 7.1197 7.1197 k = 0.2353 0.4075-0.0000 ( 5061 PWs) bands (ev): -45.8228 -45.8228 -45.8172 -45.8172 -0.1338 -0.1338 3.8898 3.8898 4.0842 4.0842 4.8824 4.8824 7.1741 7.1741 k = 0.2304 0.3991-0.0000 ( 5063 PWs) bands (ev): -45.8231 -45.8231 -45.8172 -45.8172 -0.2414 -0.2414 3.9103 3.9103 3.9492 3.9492 5.0322 5.0322 7.2339 7.2339 k = 0.2255 0.3906-0.0000 ( 5071 PWs) bands (ev): -45.8235 -45.8235 -45.8173 -45.8173 -0.3468 -0.3468 3.8168 3.8168 3.9272 3.9272 5.1846 5.1846 7.2991 7.2991 k = 0.2206 0.3821-0.0000 ( 5075 PWs) bands (ev): -45.8238 -45.8238 -45.8173 -45.8173 -0.4499 -0.4499 3.6869 3.6869 3.9405 3.9405 5.3397 5.3397 7.3695 7.3695 k = 0.2157 0.3736-0.0000 ( 5079 PWs) bands (ev): -45.8242 -45.8242 -45.8174 -45.8174 -0.5509 -0.5509 3.5595 3.5595 3.9504 3.9504 5.4974 5.4974 7.4452 7.4452 k = 0.2108 0.3651-0.0000 ( 5071 PWs) bands (ev): -45.8245 -45.8245 -45.8174 -45.8174 -0.6496 -0.6496 3.4348 3.4348 3.9571 3.9571 5.6576 5.6576 7.5261 7.5261 k = 0.2059 0.3566-0.0000 ( 5071 PWs) bands (ev): -45.8249 -45.8249 -45.8175 -45.8175 -0.7461 -0.7461 3.3128 3.3128 3.9606 3.9606 5.8204 5.8204 7.6119 7.6119 k = 0.2010 0.3481-0.0000 ( 5073 PWs) bands (ev): -45.8253 -45.8253 -45.8176 -45.8176 -0.8403 -0.8403 3.1934 3.1934 3.9613 3.9613 5.9856 5.9856 7.7025 7.7025 k = 0.1961 0.3396-0.0000 ( 5081 PWs) bands (ev): -45.8256 -45.8256 -45.8177 -45.8177 -0.9322 -0.9322 3.0767 3.0767 3.9594 3.9594 6.1533 6.1533 7.7978 7.7978 k = 0.1912 0.3311-0.0000 ( 5077 PWs) bands (ev): -45.8260 -45.8260 -45.8178 -45.8178 -1.0219 -1.0219 2.9628 2.9628 3.9550 3.9550 6.3234 6.3234 7.8974 7.8974 k = 0.1863 0.3226-0.0000 ( 5077 PWs) bands (ev): -45.8264 -45.8264 -45.8179 -45.8179 -1.1093 -1.1093 2.8516 2.8516 3.9484 3.9484 6.4958 6.4958 8.0013 8.0013 k = 0.1814 0.3141-0.0000 ( 5077 PWs) bands (ev): -45.8268 -45.8268 -45.8180 -45.8180 -1.1944 -1.1944 2.7432 2.7432 3.9399 3.9399 6.6704 6.6704 8.1092 8.1092 k = 0.1765 0.3057-0.0000 ( 5081 PWs) bands (ev): -45.8272 -45.8272 -45.8181 -45.8181 -1.2773 -1.2773 2.6376 2.6376 3.9296 3.9296 6.8474 6.8474 8.2209 8.2209 k = 0.1716 0.2972-0.0000 ( 5081 PWs) bands (ev): -45.8276 -45.8276 -45.8182 -45.8182 -1.3579 -1.3579 2.5347 2.5347 3.9178 3.9178 7.0265 7.0265 8.3361 8.3361 k = 0.1667 0.2887-0.0000 ( 5087 PWs) bands (ev): -45.8280 -45.8280 -45.8184 -45.8184 -1.4362 -1.4362 2.4347 2.4347 3.9046 3.9046 7.2077 7.2077 8.4548 8.4548 k = 0.1618 0.2802-0.0000 ( 5083 PWs) bands (ev): -45.8284 -45.8284 -45.8185 -45.8185 -1.5122 -1.5122 2.3375 2.3375 3.8902 3.8902 7.3910 7.3910 8.5767 8.5767 k = 0.1569 0.2717-0.0000 ( 5087 PWs) bands (ev): -45.8288 -45.8288 -45.8187 -45.8187 -1.5859 -1.5859 2.2431 2.2431 3.8749 3.8749 7.5763 7.5763 8.7015 8.7015 k = 0.1520 0.2632-0.0000 ( 5087 PWs) bands (ev): -45.8291 -45.8291 -45.8188 -45.8188 -1.6574 -1.6574 2.1516 2.1516 3.8589 3.8589 7.7634 7.7634 8.8292 8.8292 k = 0.1471 0.2547-0.0000 ( 5101 PWs) bands (ev): -45.8295 -45.8295 -45.8189 -45.8189 -1.7265 -1.7265 2.0629 2.0629 3.8421 3.8421 7.9524 7.9524 8.9596 8.9596 k = 0.1422 0.2462-0.0000 ( 5093 PWs) bands (ev): -45.8299 -45.8299 -45.8191 -45.8191 -1.7934 -1.7934 1.9771 1.9771 3.8249 3.8249 8.1431 8.1431 9.0924 9.0924 k = 0.1373 0.2377-0.0000 ( 5105 PWs) bands (ev): -45.8303 -45.8303 -45.8192 -45.8192 -1.8580 -1.8580 1.8941 1.8941 3.8073 3.8073 8.3354 8.3354 9.2276 9.2276 k = 0.1324 0.2292-0.0000 ( 5105 PWs) bands (ev): -45.8307 -45.8307 -45.8194 -45.8194 -1.9203 -1.9203 1.8140 1.8140 3.7895 3.7895 8.5292 8.5292 9.3650 9.3650 k = 0.1275 0.2208-0.0000 ( 5095 PWs) bands (ev): -45.8311 -45.8311 -45.8195 -45.8195 -1.9803 -1.9803 1.7368 1.7368 3.7715 3.7715 8.7244 8.7244 9.5044 9.5044 k = 0.1225 0.2123-0.0000 ( 5099 PWs) bands (ev): -45.8314 -45.8314 -45.8197 -45.8197 -2.0381 -2.0381 1.6625 1.6625 3.7536 3.7536 8.9208 8.9208 9.6456 9.6456 k = 0.1176 0.2038-0.0000 ( 5095 PWs) bands (ev): -45.8318 -45.8318 -45.8198 -45.8198 -2.0936 -2.0936 1.5910 1.5910 3.7357 3.7357 9.1182 9.1182 9.7885 9.7885 k = 0.1127 0.1953-0.0000 ( 5099 PWs) bands (ev): -45.8321 -45.8321 -45.8200 -45.8200 -2.1468 -2.1468 1.5225 1.5225 3.7180 3.7180 9.3165 9.3165 9.9330 9.9330 k = 0.1078 0.1868-0.0000 ( 5099 PWs) bands (ev): -45.8325 -45.8325 -45.8201 -45.8201 -2.1977 -2.1977 1.4568 1.4568 3.7006 3.7006 9.5155 9.5155 10.0789 10.0789 k = 0.1029 0.1783-0.0000 ( 5115 PWs) bands (ev): -45.8328 -45.8328 -45.8203 -45.8203 -2.2463 -2.2463 1.3940 1.3940 3.6835 3.6835 9.7149 9.7149 10.2259 10.2259 k = 0.0980 0.1698-0.0000 ( 5121 PWs) bands (ev): -45.8331 -45.8331 -45.8204 -45.8204 -2.2927 -2.2927 1.3341 1.3341 3.6668 3.6668 9.9144 9.9144 10.3740 10.3740 k = 0.0931 0.1613-0.0000 ( 5117 PWs) bands (ev): -45.8335 -45.8335 -45.8205 -45.8205 -2.3368 -2.3368 1.2772 1.2772 3.6505 3.6505 10.1137 10.1137 10.5230 10.5230 k = 0.0882 0.1528-0.0000 ( 5113 PWs) bands (ev): -45.8338 -45.8338 -45.8207 -45.8207 -2.3786 -2.3786 1.2231 1.2231 3.6349 3.6349 10.3125 10.3125 10.6725 10.6725 k = 0.0833 0.1443-0.0000 ( 5113 PWs) bands (ev): -45.8340 -45.8340 -45.8208 -45.8208 -2.4182 -2.4182 1.1719 1.1719 3.6197 3.6197 10.5104 10.5104 10.8225 10.8225 k = 0.0784 0.1358-0.0000 ( 5117 PWs) bands (ev): -45.8343 -45.8343 -45.8209 -45.8209 -2.4555 -2.4555 1.1237 1.1237 3.6053 3.6053 10.7068 10.7068 10.9726 10.9726 k = 0.0735 0.1274-0.0000 ( 5125 PWs) bands (ev): -45.8346 -45.8346 -45.8211 -45.8211 -2.4905 -2.4905 1.0784 1.0784 3.5914 3.5914 10.9012 10.9012 11.1225 11.1225 k = 0.0686 0.1189-0.0000 ( 5123 PWs) bands (ev): -45.8348 -45.8348 -45.8212 -45.8212 -2.5233 -2.5233 1.0360 1.0360 3.5784 3.5784 11.0930 11.0930 11.2719 11.2719 k = 0.0637 0.1104-0.0000 ( 5125 PWs) bands (ev): -45.8351 -45.8351 -45.8213 -45.8213 -2.5538 -2.5538 0.9965 0.9965 3.5660 3.5660 11.2813 11.2813 11.4205 11.4205 k = 0.0588 0.1019-0.0000 ( 5125 PWs) bands (ev): -45.8353 -45.8353 -45.8214 -45.8214 -2.5820 -2.5820 0.9599 0.9599 3.5545 3.5545 11.4653 11.4653 11.5677 11.5677 k = 0.0539 0.0934-0.0000 ( 5121 PWs) bands (ev): -45.8355 -45.8355 -45.8215 -45.8215 -2.6080 -2.6080 0.9262 0.9262 3.5437 3.5437 11.6439 11.6439 11.7129 11.7129 k = 0.0490 0.0849-0.0000 ( 5121 PWs) bands (ev): -45.8357 -45.8357 -45.8216 -45.8216 -2.6317 -2.6317 0.8955 0.8955 3.5339 3.5339 11.8159 11.8159 11.8557 11.8557 k = 0.0441 0.0764-0.0000 ( 5125 PWs) bands (ev): -45.8359 -45.8359 -45.8216 -45.8216 -2.6531 -2.6531 0.8677 0.8677 3.5248 3.5248 11.9800 11.9800 11.9950 11.9950 k = 0.0392 0.0679-0.0000 ( 5129 PWs) bands (ev): -45.8360 -45.8360 -45.8217 -45.8217 -2.6723 -2.6723 0.8428 0.8428 3.5167 3.5167 12.1300 12.1300 12.1345 12.1345 k = 0.0343 0.0594-0.0000 ( 5125 PWs) bands (ev): -45.8361 -45.8361 -45.8218 -45.8218 -2.6892 -2.6892 0.8209 0.8209 3.5095 3.5095 12.2593 12.2593 12.2776 12.2776 k = 0.0294 0.0509-0.0000 ( 5135 PWs) bands (ev): -45.8363 -45.8363 -45.8218 -45.8218 -2.7039 -2.7039 0.8018 0.8018 3.5032 3.5032 12.3812 12.3812 12.4074 12.4074 k = 0.0245 0.0425-0.0000 ( 5131 PWs) bands (ev): -45.8364 -45.8364 -45.8219 -45.8219 -2.7163 -2.7163 0.7857 0.7857 3.4979 3.4979 12.4938 12.4938 12.5218 12.5218 k = 0.0196 0.0340-0.0000 ( 5133 PWs) bands (ev): -45.8365 -45.8365 -45.8219 -45.8219 -2.7265 -2.7265 0.7725 0.7725 3.4935 3.4935 12.5942 12.5942 12.6188 12.6188 k = 0.0147 0.0255-0.0000 ( 5135 PWs) bands (ev): -45.8365 -45.8365 -45.8220 -45.8220 -2.7344 -2.7344 0.7623 0.7623 3.4901 3.4901 12.6789 12.6789 12.6966 12.6966 k = 0.0098 0.0170-0.0000 ( 5135 PWs) bands (ev): -45.8366 -45.8366 -45.8220 -45.8220 -2.7400 -2.7400 0.7550 0.7550 3.4876 3.4876 12.7441 12.7441 12.7534 12.7534 k = 0.0049 0.0085-0.0000 ( 5143 PWs) bands (ev): -45.8366 -45.8366 -45.8220 -45.8220 -2.7434 -2.7434 0.7506 0.7506 3.4862 3.4862 12.7853 12.7853 12.7880 12.7880 k = 0.0000 0.0000 0.0000 ( 5143 PWs) bands (ev): -45.8366 -45.8366 -45.8220 -45.8220 -2.7445 -2.7445 0.7491 0.7491 3.4857 3.4857 12.7993 12.7993 12.7999 12.7999 k = 0.0000 0.0000 0.0000 ( 5143 PWs) bands (ev): -45.8366 -45.8366 -45.8220 -45.8220 -2.7445 -2.7445 0.7491 0.7491 3.4857 3.4857 12.7993 12.7993 12.7999 12.7999 k = 0.0000 0.0000 0.0099 ( 5143 PWs) bands (ev): -45.8366 -45.8366 -45.8220 -45.8220 -2.7434 -2.7434 0.7415 0.7415 3.4959 3.4959 12.8004 12.8004 12.8010 12.8010 k = 0.0000 0.0000 0.0197 ( 5155 PWs) bands (ev): -45.8366 -45.8366 -45.8220 -45.8220 -2.7400 -2.7400 0.7192 0.7192 3.5263 3.5263 12.8037 12.8037 12.8043 12.8043 k = 0.0000 0.0000 0.0296 ( 5155 PWs) bands (ev): -45.8365 -45.8365 -45.8221 -45.8221 -2.7343 -2.7343 0.6830 0.6830 3.5760 3.5760 12.8091 12.8091 12.8097 12.8097 k = 0.0000 0.0000 0.0394 ( 5149 PWs) bands (ev): -45.8365 -45.8365 -45.8222 -45.8222 -2.7263 -2.7263 0.6343 0.6343 3.6434 3.6434 12.8168 12.8168 12.8174 12.8174 k = 0.0000 0.0000 0.0493 ( 5131 PWs) bands (ev): -45.8364 -45.8364 -45.8222 -45.8222 -2.7161 -2.7161 0.5749 0.5749 3.7269 3.7269 12.8265 12.8265 12.8272 12.8272 k = 0.0000 0.0000 0.0591 ( 5143 PWs) bands (ev): -45.8363 -45.8363 -45.8224 -45.8224 -2.7036 -2.7036 0.5064 0.5064 3.8248 3.8248 12.8385 12.8385 12.8391 12.8391 k = 0.0000 0.0000 0.0690 ( 5149 PWs) bands (ev): -45.8361 -45.8361 -45.8225 -45.8225 -2.6888 -2.6888 0.4306 0.4306 3.9355 3.9355 12.8525 12.8525 12.8532 12.8532 k = 0.0000 0.0000 0.0788 ( 5137 PWs) bands (ev): -45.8360 -45.8360 -45.8226 -45.8226 -2.6717 -2.6717 0.3489 0.3489 4.0573 4.0573 12.8687 12.8687 12.8693 12.8693 k = 0.0000 0.0000 0.0887 ( 5149 PWs) bands (ev): -45.8359 -45.8359 -45.8228 -45.8228 -2.6523 -2.6523 0.2627 0.2627 4.1890 4.1890 12.8869 12.8869 12.8876 12.8876 k = 0.0000 0.0000 0.0985 ( 5131 PWs) bands (ev): -45.8357 -45.8357 -45.8229 -45.8229 -2.6307 -2.6307 0.1730 0.1730 4.3295 4.3295 12.9072 12.9072 12.9078 12.9078 k = 0.0000 0.0000 0.1084 ( 5119 PWs) bands (ev): -45.8355 -45.8355 -45.8231 -45.8231 -2.6068 -2.6068 0.0809 0.0809 4.4777 4.4777 12.9295 12.9295 12.9301 12.9301 k = 0.0000 0.0000 0.1182 ( 5107 PWs) bands (ev): -45.8353 -45.8353 -45.8233 -45.8233 -2.5806 -2.5806 -0.0129 -0.0129 4.6329 4.6329 12.9150 12.9150 12.9537 12.9537 k = 0.0000 0.0000 0.1281 ( 5101 PWs) bands (ev): -45.8350 -45.8350 -45.8235 -45.8235 -2.5522 -2.5522 -0.1078 -0.1078 4.7943 4.7943 12.6879 12.6879 12.9798 12.9800 k = 0.0000 0.0000 0.1379 ( 5101 PWs) bands (ev): -45.8348 -45.8348 -45.8238 -45.8238 -2.5214 -2.5214 -0.2031 -0.2031 4.9616 4.9616 12.4565 12.4565 13.0079 13.0082 k = 0.0000 0.0000 0.1478 ( 5101 PWs) bands (ev): -45.8346 -45.8346 -45.8240 -45.8240 -2.4884 -2.4884 -0.2985 -0.2985 5.1341 5.1341 12.2216 12.2216 13.0376 13.0380 k = 0.0000 0.0000 0.1576 ( 5101 PWs) bands (ev): -45.8343 -45.8343 -45.8243 -45.8243 -2.4532 -2.4532 -0.3936 -0.3936 5.3115 5.3115 11.9841 11.9841 13.0693 13.0696 k = 0.0000 0.0000 0.1675 ( 5101 PWs) bands (ev): -45.8340 -45.8340 -45.8245 -45.8245 -2.4156 -2.4156 -0.4880 -0.4880 5.4934 5.4934 11.7446 11.7446 13.1023 13.1028 k = 0.0000 0.0000 0.1773 ( 5113 PWs) bands (ev): -45.8338 -45.8338 -45.8248 -45.8248 -2.3758 -2.3758 -0.5815 -0.5815 5.6797 5.6797 11.5036 11.5036 13.1369 13.1375 k = 0.0000 0.0000 0.1872 ( 5113 PWs) bands (ev): -45.8335 -45.8335 -45.8251 -45.8251 -2.3337 -2.3337 -0.6740 -0.6740 5.8700 5.8700 11.2618 11.2618 13.1732 13.1736 k = 0.0000 0.0000 0.1970 ( 5113 PWs) bands (ev): -45.8332 -45.8332 -45.8254 -45.8254 -2.2893 -2.2893 -0.7652 -0.7652 6.0641 6.0641 11.0195 11.0195 13.2109 13.2110 k = 0.0000 0.0000 0.2069 ( 5113 PWs) bands (ev): -45.8328 -45.8328 -45.8257 -45.8257 -2.2427 -2.2427 -0.8549 -0.8549 6.2618 6.2618 10.7771 10.7771 13.2494 13.2495 k = 0.0000 0.0000 0.2167 ( 5107 PWs) bands (ev): -45.8325 -45.8325 -45.8261 -45.8261 -2.1939 -2.1939 -0.9431 -0.9431 6.4631 6.4631 10.5350 10.5350 13.2893 13.2897 k = 0.0000 0.0000 0.2266 ( 5113 PWs) bands (ev): -45.8322 -45.8322 -45.8264 -45.8264 -2.1427 -2.1427 -1.0297 -1.0297 6.6677 6.6677 10.2934 10.2934 13.3302 13.3308 k = 0.0000 0.0000 0.2365 ( 5095 PWs) bands (ev): -45.8318 -45.8318 -45.8267 -45.8267 -2.0894 -2.0894 -1.1145 -1.1145 6.8754 6.8754 10.0528 10.0528 13.3723 13.3726 k = 0.0000 0.0000 0.2463 ( 5101 PWs) bands (ev): -45.8315 -45.8315 -45.8271 -45.8271 -2.0338 -2.0338 -1.1975 -1.1975 7.0863 7.0863 9.8132 9.8132 13.4144 13.4147 k = 0.0000 0.0000 0.2562 ( 5107 PWs) bands (ev): -45.8311 -45.8311 -45.8275 -45.8275 -1.9760 -1.9760 -1.2785 -1.2785 7.3001 7.3001 9.5749 9.5749 13.4574 13.4579 k = 0.0000 0.0000 0.2660 ( 5101 PWs) bands (ev): -45.8308 -45.8308 -45.8278 -45.8278 -1.9159 -1.9159 -1.3577 -1.3577 7.5167 7.5167 9.3381 9.3381 13.5007 13.5010 k = 0.0000 0.0000 0.2759 ( 5089 PWs) bands (ev): -45.8304 -45.8304 -45.8282 -45.8282 -1.8537 -1.8537 -1.4348 -1.4348 7.7361 7.7361 9.1031 9.1031 13.5441 13.5446 k = 0.0000 0.0000 0.2857 ( 5078 PWs) bands (ev): -45.8300 -45.8300 -45.8285 -45.8285 -1.7892 -1.7892 -1.5099 -1.5099 7.9581 7.9581 8.8698 8.8698 13.5878 13.5879 k = 0.0000 0.0000 0.2956 ( 5060 PWs) bands (ev): -45.8296 -45.8296 -45.8289 -45.8289 -1.7226 -1.7226 -1.5829 -1.5829 8.1826 8.1826 8.6386 8.6386 13.6304 13.6306 k = 0.0000 0.0000 0.3054 ( 5048 PWs) bands (ev): -45.8293 -45.8293 -45.8293 -45.8293 -1.6538 -1.6538 -1.6538 -1.6538 8.4094 8.4094 8.4094 8.4094 13.6732 13.6733 k = 0.0000 0.0000 0.3054 ( 5048 PWs) bands (ev): -45.8293 -45.8293 -45.8293 -45.8293 -1.6538 -1.6538 -1.6538 -1.6538 8.4094 8.4094 8.4094 8.4094 13.6730 13.6733 k = 0.0085 0.0049 0.3054 ( 5064 PWs) bands (ev): -45.8293 -45.8293 -45.8293 -45.8293 -1.6527 -1.6527 -1.6527 -1.6527 8.4101 8.4101 8.4101 8.4101 13.6657 13.6664 k = 0.0169 0.0098 0.3054 ( 5066 PWs) bands (ev): -45.8292 -45.8292 -45.8292 -45.8292 -1.6492 -1.6492 -1.6492 -1.6492 8.4119 8.4119 8.4119 8.4119 13.6397 13.6397 k = 0.0254 0.0147 0.3054 ( 5070 PWs) bands (ev): -45.8292 -45.8292 -45.8292 -45.8292 -1.6434 -1.6434 -1.6434 -1.6434 8.4150 8.4150 8.4150 8.4150 13.5977 13.5977 k = 0.0339 0.0196 0.3054 ( 5074 PWs) bands (ev): -45.8292 -45.8292 -45.8292 -45.8292 -1.6353 -1.6353 -1.6353 -1.6353 8.4193 8.4193 8.4193 8.4193 13.5387 13.5387 k = 0.0424 0.0245 0.3054 ( 5076 PWs) bands (ev): -45.8291 -45.8291 -45.8291 -45.8291 -1.6250 -1.6250 -1.6250 -1.6250 8.4248 8.4248 8.4248 8.4248 13.4626 13.4626 k = 0.0508 0.0294 0.3054 ( 5080 PWs) bands (ev): -45.8290 -45.8290 -45.8290 -45.8290 -1.6123 -1.6123 -1.6123 -1.6123 8.4314 8.4314 8.4314 8.4314 13.3695 13.3695 k = 0.0593 0.0342 0.3054 ( 5084 PWs) bands (ev): -45.8289 -45.8289 -45.8289 -45.8289 -1.5973 -1.5973 -1.5973 -1.5973 8.4391 8.4391 8.4391 8.4391 13.2598 13.2598 k = 0.0678 0.0391 0.3054 ( 5082 PWs) bands (ev): -45.8288 -45.8288 -45.8288 -45.8288 -1.5800 -1.5800 -1.5800 -1.5800 8.4478 8.4478 8.4478 8.4478 13.1345 13.1345 k = 0.0763 0.0440 0.3054 ( 5086 PWs) bands (ev): -45.8287 -45.8287 -45.8287 -45.8287 -1.5604 -1.5604 -1.5604 -1.5604 8.4575 8.4575 8.4575 8.4575 12.9945 12.9945 k = 0.0847 0.0489 0.3054 ( 5088 PWs) bands (ev): -45.8286 -45.8286 -45.8286 -45.8286 -1.5385 -1.5385 -1.5385 -1.5385 8.4679 8.4679 8.4679 8.4679 12.8416 12.8416 k = 0.0932 0.0538 0.3054 ( 5092 PWs) bands (ev): -45.8285 -45.8285 -45.8285 -45.8285 -1.5143 -1.5143 -1.5143 -1.5143 8.4790 8.4790 8.4790 8.4790 12.6773 12.6773 k = 0.1017 0.0587 0.3054 ( 5092 PWs) bands (ev): -45.8283 -45.8283 -45.8283 -45.8283 -1.4878 -1.4878 -1.4878 -1.4878 8.4907 8.4907 8.4907 8.4907 12.5036 12.5036 k = 0.1102 0.0636 0.3054 ( 5092 PWs) bands (ev): -45.8282 -45.8282 -45.8282 -45.8282 -1.4590 -1.4590 -1.4590 -1.4590 8.5026 8.5026 8.5026 8.5026 12.3223 12.3223 k = 0.1186 0.0685 0.3054 ( 5094 PWs) bands (ev): -45.8280 -45.8280 -45.8280 -45.8280 -1.4279 -1.4279 -1.4279 -1.4279 8.5145 8.5145 8.5145 8.5145 12.1353 12.1353 k = 0.1271 0.0734 0.3054 ( 5094 PWs) bands (ev): -45.8278 -45.8278 -45.8278 -45.8278 -1.3946 -1.3946 -1.3946 -1.3946 8.5260 8.5260 8.5260 8.5260 11.9444 11.9444 k = 0.1356 0.0783 0.3054 ( 5108 PWs) bands (ev): -45.8276 -45.8276 -45.8276 -45.8276 -1.3590 -1.3590 -1.3590 -1.3590 8.5368 8.5368 8.5368 8.5368 11.7514 11.7514 k = 0.1441 0.0832 0.3054 ( 5108 PWs) bands (ev): -45.8274 -45.8274 -45.8274 -45.8274 -1.3211 -1.3211 -1.3211 -1.3211 8.5462 8.5462 8.5462 8.5462 11.5580 11.5580 k = 0.1525 0.0881 0.3054 ( 5108 PWs) bands (ev): -45.8272 -45.8272 -45.8272 -45.8272 -1.2810 -1.2810 -1.2810 -1.2810 8.5534 8.5534 8.5534 8.5534 11.3659 11.3659 k = 0.1610 0.0930 0.3054 ( 5108 PWs) bands (ev): -45.8270 -45.8270 -45.8270 -45.8270 -1.2386 -1.2386 -1.2386 -1.2386 8.5575 8.5575 8.5575 8.5575 11.1768 11.1768 k = 0.1695 0.0979 0.3054 ( 5108 PWs) bands (ev): -45.8268 -45.8268 -45.8268 -45.8268 -1.1939 -1.1939 -1.1939 -1.1939 8.5573 8.5573 8.5573 8.5573 10.9928 10.9928 k = 0.1780 0.1027 0.3054 ( 5112 PWs) bands (ev): -45.8265 -45.8265 -45.8265 -45.8265 -1.1470 -1.1470 -1.1470 -1.1470 8.5511 8.5511 8.5511 8.5511 10.8161 10.8161 k = 0.1864 0.1076 0.3054 ( 5110 PWs) bands (ev): -45.8263 -45.8263 -45.8263 -45.8263 -1.0979 -1.0979 -1.0979 -1.0979 8.5370 8.5370 8.5370 8.5370 10.6490 10.6490 k = 0.1949 0.1125 0.3054 ( 5110 PWs) bands (ev): -45.8261 -45.8261 -45.8261 -45.8261 -1.0466 -1.0466 -1.0466 -1.0466 8.5126 8.5126 8.5126 8.5126 10.4945 10.4945 k = 0.2034 0.1174 0.3054 ( 5108 PWs) bands (ev): -45.8258 -45.8258 -45.8258 -45.8258 -0.9931 -0.9931 -0.9931 -0.9931 8.4753 8.4753 8.4753 8.4753 10.3555 10.3555 k = 0.2119 0.1223 0.3054 ( 5112 PWs) bands (ev): -45.8256 -45.8256 -45.8256 -45.8256 -0.9374 -0.9374 -0.9374 -0.9374 8.4226 8.4226 8.4226 8.4226 10.2349 10.2349 k = 0.2203 0.1272 0.3054 ( 5106 PWs) bands (ev): -45.8253 -45.8253 -45.8253 -45.8253 -0.8795 -0.8795 -0.8795 -0.8795 8.3525 8.3525 8.3525 8.3525 10.1349 10.1349 k = 0.2288 0.1321 0.3054 ( 5098 PWs) bands (ev): -45.8251 -45.8251 -45.8251 -45.8251 -0.8195 -0.8195 -0.8195 -0.8195 8.2639 8.2639 8.2639 8.2639 10.0569 10.0569 k = 0.2373 0.1370 0.3054 ( 5102 PWs) bands (ev): -45.8248 -45.8248 -45.8248 -45.8248 -0.7574 -0.7574 -0.7574 -0.7574 8.1572 8.1572 8.1572 8.1572 10.0006 10.0006 k = 0.2458 0.1419 0.3054 ( 5098 PWs) bands (ev): -45.8245 -45.8245 -45.8245 -45.8245 -0.6932 -0.6932 -0.6932 -0.6932 8.0340 8.0340 8.0340 8.0340 9.9646 9.9646 k = 0.2542 0.1468 0.3054 ( 5102 PWs) bands (ev): -45.8243 -45.8243 -45.8243 -45.8243 -0.6269 -0.6269 -0.6269 -0.6269 7.8969 7.8969 7.8969 7.8969 9.9466 9.9466 k = 0.2627 0.1517 0.3054 ( 5098 PWs) bands (ev): -45.8240 -45.8240 -45.8240 -45.8240 -0.5586 -0.5586 -0.5586 -0.5586 7.7485 7.7485 7.7485 7.7485 9.9441 9.9441 k = 0.2712 0.1566 0.3054 ( 5098 PWs) bands (ev): -45.8238 -45.8238 -45.8238 -45.8238 -0.4883 -0.4883 -0.4883 -0.4883 7.5915 7.5915 7.5915 7.5915 9.9545 9.9545 k = 0.2797 0.1615 0.3054 ( 5094 PWs) bands (ev): -45.8235 -45.8235 -45.8235 -45.8235 -0.4160 -0.4160 -0.4160 -0.4160 7.4282 7.4282 7.4282 7.4282 9.9756 9.9756 k = 0.2881 0.1664 0.3054 ( 5094 PWs) bands (ev): -45.8232 -45.8232 -45.8232 -45.8232 -0.3419 -0.3419 -0.3419 -0.3419 7.2605 7.2605 7.2605 7.2605 10.0056 10.0056 k = 0.2966 0.1712 0.3054 ( 5094 PWs) bands (ev): -45.8230 -45.8230 -45.8230 -45.8230 -0.2659 -0.2659 -0.2659 -0.2659 7.0899 7.0899 7.0899 7.0899 10.0431 10.0431 k = 0.3051 0.1761 0.3054 ( 5090 PWs) bands (ev): -45.8227 -45.8227 -45.8227 -45.8227 -0.1882 -0.1882 -0.1882 -0.1882 6.9178 6.9178 6.9178 6.9178 10.0868 10.0869 k = 0.3136 0.1810 0.3054 ( 5092 PWs) bands (ev): -45.8225 -45.8225 -45.8225 -45.8225 -0.1088 -0.1088 -0.1088 -0.1088 6.7451 6.7451 6.7451 6.7451 10.1360 10.1360 k = 0.3220 0.1859 0.3054 ( 5088 PWs) bands (ev): -45.8223 -45.8223 -45.8223 -45.8223 -0.0278 -0.0278 -0.0278 -0.0278 6.5726 6.5726 6.5726 6.5726 10.1898 10.1898 k = 0.3305 0.1908 0.3054 ( 5088 PWs) bands (ev): -45.8220 -45.8220 -45.8220 -45.8220 0.0546 0.0546 0.0546 0.0546 6.4010 6.4010 6.4010 6.4010 10.2477 10.2477 k = 0.3390 0.1957 0.3054 ( 5088 PWs) bands (ev): -45.8218 -45.8218 -45.8218 -45.8218 0.1384 0.1384 0.1384 0.1384 6.2310 6.2310 6.2310 6.2310 10.3090 10.3090 k = 0.3475 0.2006 0.3054 ( 5080 PWs) bands (ev): -45.8216 -45.8216 -45.8216 -45.8216 0.2234 0.2234 0.2234 0.2234 6.0630 6.0630 6.0630 6.0630 10.3735 10.3735 k = 0.3559 0.2055 0.3054 ( 5084 PWs) bands (ev): -45.8214 -45.8214 -45.8214 -45.8214 0.3095 0.3095 0.3095 0.3095 5.8975 5.8975 5.8975 5.8975 10.4407 10.4407 k = 0.3644 0.2104 0.3054 ( 5084 PWs) bands (ev): -45.8212 -45.8212 -45.8212 -45.8212 0.3963 0.3963 0.3963 0.3963 5.7349 5.7349 5.7349 5.7349 10.5103 10.5103 k = 0.3729 0.2153 0.3054 ( 5074 PWs) bands (ev): -45.8210 -45.8210 -45.8210 -45.8210 0.4837 0.4837 0.4837 0.4837 5.5757 5.5757 5.5757 5.5757 10.5627 10.5628 k = 0.3814 0.2202 0.3054 ( 5074 PWs) bands (ev): -45.8208 -45.8208 -45.8208 -45.8208 0.5713 0.5713 0.5713 0.5713 5.4204 5.4204 5.4204 5.4204 10.5234 10.5234 k = 0.3898 0.2251 0.3054 ( 5074 PWs) bands (ev): -45.8206 -45.8206 -45.8206 -45.8206 0.6589 0.6589 0.6589 0.6589 5.2694 5.2694 5.2694 5.2694 10.4868 10.4868 k = 0.3983 0.2300 0.3054 ( 5070 PWs) bands (ev): -45.8205 -45.8205 -45.8205 -45.8205 0.7459 0.7459 0.7459 0.7459 5.1234 5.1234 5.1234 5.1234 10.4528 10.4528 k = 0.4068 0.2349 0.3054 ( 5074 PWs) bands (ev): -45.8203 -45.8203 -45.8203 -45.8203 0.8319 0.8319 0.8319 0.8319 4.9828 4.9828 4.9828 4.9828 10.4215 10.4215 k = 0.4153 0.2397 0.3054 ( 5074 PWs) bands (ev): -45.8202 -45.8202 -45.8202 -45.8202 0.9162 0.9162 0.9162 0.9162 4.8484 4.8484 4.8484 4.8484 10.3930 10.3930 k = 0.4237 0.2446 0.3054 ( 5066 PWs) bands (ev): -45.8200 -45.8200 -45.8200 -45.8200 0.9981 0.9981 0.9981 0.9981 4.7210 4.7210 4.7210 4.7210 10.3671 10.3671 k = 0.4322 0.2495 0.3054 ( 5074 PWs) bands (ev): -45.8199 -45.8199 -45.8199 -45.8199 1.0768 1.0768 1.0768 1.0768 4.6015 4.6015 4.6015 4.6015 10.3439 10.3439 k = 0.4407 0.2544 0.3054 ( 5074 PWs) bands (ev): -45.8198 -45.8198 -45.8198 -45.8198 1.1511 1.1511 1.1511 1.1511 4.4911 4.4911 4.4911 4.4911 10.3234 10.3234 k = 0.4492 0.2593 0.3054 ( 5070 PWs) bands (ev): -45.8197 -45.8197 -45.8197 -45.8197 1.2199 1.2199 1.2199 1.2199 4.3909 4.3909 4.3909 4.3909 10.3057 10.3057 k = 0.4576 0.2642 0.3054 ( 5062 PWs) bands (ev): -45.8197 -45.8197 -45.8197 -45.8197 1.2819 1.2819 1.2819 1.2819 4.3023 4.3023 4.3023 4.3023 10.2906 10.2906 k = 0.4661 0.2691 0.3054 ( 5058 PWs) bands (ev): -45.8196 -45.8196 -45.8196 -45.8196 1.3355 1.3355 1.3355 1.3355 4.2269 4.2269 4.2269 4.2269 10.2783 10.2783 k = 0.4746 0.2740 0.3054 ( 5054 PWs) bands (ev): -45.8196 -45.8196 -45.8196 -45.8196 1.3793 1.3793 1.3793 1.3793 4.1661 4.1661 4.1661 4.1661 10.2688 10.2688 k = 0.4831 0.2789 0.3054 ( 5062 PWs) bands (ev): -45.8195 -45.8195 -45.8195 -45.8195 1.4119 1.4119 1.4119 1.4119 4.1215 4.1215 4.1215 4.1215 10.2619 10.2619 k = 0.4915 0.2838 0.3054 ( 5060 PWs) bands (ev): -45.8195 -45.8195 -45.8195 -45.8195 1.4319 1.4319 1.4319 1.4319 4.0941 4.0941 4.0941 4.0941 10.2578 10.2578 k = 0.5000 0.2887 0.3054 ( 5064 PWs) bands (ev): -45.8195 -45.8195 -45.8195 -45.8195 1.4387 1.4387 1.4387 1.4387 4.0849 4.0849 4.0849 4.0849 10.2565 10.2565 k = 0.5000 0.2887 0.3054 ( 5064 PWs) bands (ev): -45.8195 -45.8195 -45.8195 -45.8195 1.4387 1.4387 1.4387 1.4387 4.0849 4.0849 4.0849 4.0849 10.2565 10.2565 k = 0.4951 0.2972 0.3054 ( 5062 PWs) bands (ev): -45.8195 -45.8195 -45.8195 -45.8195 1.4402 1.4402 1.4402 1.4402 4.0851 4.0851 4.0851 4.0851 10.2392 10.2392 k = 0.4902 0.3057 0.3054 ( 5046 PWs) bands (ev): -45.8195 -45.8195 -45.8195 -45.8195 1.4445 1.4445 1.4445 1.4445 4.0857 4.0857 4.0857 4.0857 10.1889 10.1889 k = 0.4853 0.3141 0.3054 ( 5046 PWs) bands (ev): -45.8195 -45.8195 -45.8195 -45.8195 1.4518 1.4518 1.4518 1.4518 4.0867 4.0867 4.0867 4.0867 10.1093 10.1093 k = 0.4804 0.3226 0.3054 ( 5046 PWs) bands (ev): -45.8194 -45.8194 -45.8194 -45.8194 1.4619 1.4619 1.4619 1.4619 4.0879 4.0879 4.0879 4.0879 10.0054 10.0054 k = 0.4755 0.3311 0.3054 ( 5050 PWs) bands (ev): -45.8194 -45.8194 -45.8194 -45.8194 1.4749 1.4749 1.4749 1.4749 4.0895 4.0895 4.0895 4.0895 9.8825 9.8826 k = 0.4706 0.3396 0.3054 ( 5058 PWs) bands (ev): -45.8194 -45.8194 -45.8194 -45.8194 1.4908 1.4908 1.4908 1.4908 4.0913 4.0913 4.0913 4.0913 9.7453 9.7453 k = 0.4657 0.3481 0.3054 ( 5058 PWs) bands (ev): -45.8194 -45.8194 -45.8194 -45.8194 1.5096 1.5096 1.5096 1.5096 4.0931 4.0931 4.0931 4.0931 9.5975 9.5976 k = 0.4608 0.3566 0.3054 ( 5062 PWs) bands (ev): -45.8193 -45.8193 -45.8193 -45.8193 1.5313 1.5313 1.5313 1.5313 4.0950 4.0950 4.0950 4.0950 9.4425 9.4425 k = 0.4559 0.3651 0.3054 ( 5070 PWs) bands (ev): -45.8193 -45.8193 -45.8193 -45.8193 1.5559 1.5559 1.5559 1.5559 4.0968 4.0968 4.0968 4.0968 9.2826 9.2826 k = 0.4510 0.3736 0.3054 ( 5076 PWs) bands (ev): -45.8193 -45.8193 -45.8193 -45.8193 1.5833 1.5833 1.5833 1.5833 4.0982 4.0982 4.0982 4.0982 9.1199 9.1199 k = 0.4461 0.3821 0.3054 ( 5084 PWs) bands (ev): -45.8192 -45.8192 -45.8192 -45.8192 1.6136 1.6136 1.6136 1.6136 4.0992 4.0992 4.0992 4.0992 8.9559 8.9559 k = 0.4412 0.3906 0.3054 ( 5088 PWs) bands (ev): -45.8192 -45.8192 -45.8192 -45.8192 1.6468 1.6468 1.6468 1.6468 4.0995 4.0995 4.0995 4.0995 8.7920 8.7920 k = 0.4363 0.3991 0.3054 ( 5090 PWs) bands (ev): -45.8192 -45.8192 -45.8192 -45.8192 1.6828 1.6828 1.6828 1.6828 4.0989 4.0989 4.0989 4.0989 8.6292 8.6292 k = 0.4314 0.4075 0.3054 ( 5082 PWs) bands (ev): -45.8191 -45.8191 -45.8191 -45.8191 1.7216 1.7216 1.7217 1.7217 4.0971 4.0971 4.0971 4.0971 8.4686 8.4686 k = 0.4265 0.4160 0.3054 ( 5074 PWs) bands (ev): -45.8190 -45.8190 -45.8190 -45.8190 1.7633 1.7633 1.7633 1.7633 4.0938 4.0938 4.0938 4.0938 8.3109 8.3109 k = 0.4216 0.4245 0.3054 ( 5058 PWs) bands (ev): -45.8190 -45.8190 -45.8190 -45.8190 1.8078 1.8078 1.8078 1.8078 4.0887 4.0887 4.0887 4.0887 8.1570 8.1570 k = 0.4167 0.4330 0.3054 ( 5066 PWs) bands (ev): -45.8189 -45.8189 -45.8189 -45.8189 1.8551 1.8551 1.8551 1.8551 4.0814 4.0814 4.0814 4.0814 8.0076 8.0076 k = 0.4118 0.4415 0.3054 ( 5066 PWs) bands (ev): -45.8189 -45.8189 -45.8189 -45.8189 1.9051 1.9051 1.9051 1.9051 4.0714 4.0714 4.0715 4.0715 7.8634 7.8634 k = 0.4069 0.4500 0.3054 ( 5062 PWs) bands (ev): -45.8188 -45.8188 -45.8188 -45.8188 1.9578 1.9578 1.9579 1.9579 4.0585 4.0585 4.0585 4.0585 7.7251 7.7251 k = 0.4020 0.4585 0.3054 ( 5070 PWs) bands (ev): -45.8188 -45.8188 -45.8188 -45.8188 2.0133 2.0133 2.0133 2.0133 4.0420 4.0420 4.0420 4.0420 7.5934 7.5934 k = 0.3971 0.4670 0.3054 ( 5074 PWs) bands (ev): -45.8187 -45.8187 -45.8187 -45.8187 2.0714 2.0714 2.0714 2.0714 4.0215 4.0215 4.0215 4.0215 7.4690 7.4690 k = 0.3922 0.4755 0.3054 ( 5078 PWs) bands (ev): -45.8187 -45.8187 -45.8187 -45.8187 2.1320 2.1320 2.1320 2.1320 3.9966 3.9966 3.9966 3.9966 7.3525 7.3525 k = 0.3873 0.4840 0.3054 ( 5074 PWs) bands (ev): -45.8186 -45.8186 -45.8186 -45.8186 2.1951 2.1951 2.1952 2.1952 3.9669 3.9669 3.9670 3.9670 7.2445 7.2445 k = 0.3824 0.4924 0.3054 ( 5070 PWs) bands (ev): -45.8186 -45.8186 -45.8186 -45.8186 2.2606 2.2606 2.2606 2.2606 3.9321 3.9321 3.9321 3.9321 7.1456 7.1456 k = 0.3775 0.5009 0.3054 ( 5074 PWs) bands (ev): -45.8185 -45.8185 -45.8185 -45.8185 2.3283 2.3283 2.3283 2.3283 3.8919 3.8919 3.8919 3.8919 7.0562 7.0562 k = 0.3725 0.5094 0.3054 ( 5068 PWs) bands (ev): -45.8185 -45.8185 -45.8185 -45.8185 2.3979 2.3979 2.3979 2.3979 3.8463 3.8463 3.8463 3.8463 6.9767 6.9767 k = 0.3676 0.5179 0.3054 ( 5076 PWs) bands (ev): -45.8184 -45.8184 -45.8184 -45.8184 2.4690 2.4690 2.4691 2.4691 3.7955 3.7955 3.7955 3.7955 6.9072 6.9072 k = 0.3627 0.5264 0.3054 ( 5078 PWs) bands (ev): -45.8184 -45.8184 -45.8184 -45.8184 2.5412 2.5412 2.5412 2.5412 3.7399 3.7399 3.7400 3.7400 6.8479 6.8479 k = 0.3578 0.5349 0.3054 ( 5090 PWs) bands (ev): -45.8184 -45.8184 -45.8184 -45.8184 2.6135 2.6135 2.6135 2.6135 3.6807 3.6807 3.6808 3.6808 6.7987 6.7987 k = 0.3529 0.5434 0.3054 ( 5092 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.6844 2.6844 2.6845 2.6845 3.6195 3.6195 3.6196 3.6196 6.7594 6.7594 k = 0.3480 0.5519 0.3054 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.7514 2.7514 2.7515 2.7515 3.5593 3.5593 3.5594 3.5594 6.7297 6.7297 k = 0.3431 0.5604 0.3054 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8099 2.8099 2.8100 2.8100 3.5049 3.5049 3.5050 3.5050 6.7091 6.7091 k = 0.3382 0.5689 0.3054 ( 5084 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8524 2.8524 2.8525 2.8525 3.4645 3.4645 3.4647 3.4647 6.6971 6.6971 k = 0.3333 0.5774 0.3054 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8686 2.8686 2.8687 2.8687 3.4489 3.4489 3.4490 3.4490 6.6932 6.6932 k = 0.3333 0.5774 0.3054 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8686 2.8686 2.8687 2.8687 3.4489 3.4489 3.4490 3.4490 6.6932 6.6932 k = 0.3284 0.5689 0.3054 ( 5084 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8514 2.8514 2.8515 2.8515 3.4657 3.4657 3.4659 3.4659 6.6969 6.6969 k = 0.3235 0.5604 0.3054 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8030 2.8030 2.8031 2.8031 3.5133 3.5133 3.5134 3.5134 6.7076 6.7076 k = 0.3186 0.5519 0.3054 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.7321 2.7321 2.7322 2.7322 3.5835 3.5835 3.5836 3.5836 6.7246 6.7246 k = 0.3137 0.5434 0.3054 ( 5078 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.6467 2.6467 2.6467 2.6467 3.6690 3.6690 3.6691 3.6691 6.7476 6.7476 k = 0.3088 0.5349 0.3054 ( 5072 PWs) bands (ev): -45.8184 -45.8184 -45.8184 -45.8184 2.5519 2.5519 2.5520 2.5520 3.7648 3.7648 3.7648 3.7648 6.7759 6.7759 k = 0.3039 0.5264 0.3054 ( 5080 PWs) bands (ev): -45.8184 -45.8184 -45.8184 -45.8184 2.4512 2.4512 2.4513 2.4513 3.8680 3.8680 3.8681 3.8681 6.8093 6.8093 k = 0.2990 0.5179 0.3054 ( 5080 PWs) bands (ev): -45.8185 -45.8185 -45.8185 -45.8185 2.3465 2.3465 2.3466 2.3466 3.9772 3.9772 3.9773 3.9773 6.8471 6.8471 k = 0.2941 0.5094 0.3054 ( 5076 PWs) bands (ev): -45.8185 -45.8185 -45.8185 -45.8185 2.2392 2.2392 2.2392 2.2392 4.0912 4.0912 4.0913 4.0913 6.8891 6.8891 k = 0.2892 0.5009 0.3054 ( 5080 PWs) bands (ev): -45.8186 -45.8186 -45.8186 -45.8186 2.1301 2.1301 2.1302 2.1302 4.2095 4.2095 4.2096 4.2096 6.9350 6.9350 k = 0.2843 0.4924 0.3054 ( 5078 PWs) bands (ev): -45.8187 -45.8187 -45.8187 -45.8187 2.0200 2.0200 2.0201 2.0201 4.3317 4.3317 4.3318 4.3318 6.9843 6.9843 k = 0.2794 0.4840 0.3054 ( 5082 PWs) bands (ev): -45.8188 -45.8188 -45.8188 -45.8188 1.9094 1.9094 1.9094 1.9094 4.4575 4.4575 4.4575 4.4575 7.0368 7.0368 k = 0.2745 0.4755 0.3054 ( 5074 PWs) bands (ev): -45.8189 -45.8189 -45.8189 -45.8189 1.7986 1.7986 1.7987 1.7987 4.5866 4.5866 4.5867 4.5867 7.0922 7.0922 k = 0.2696 0.4670 0.3054 ( 5072 PWs) bands (ev): -45.8190 -45.8190 -45.8190 -45.8190 1.6881 1.6881 1.6881 1.6881 4.7191 4.7191 4.7191 4.7191 7.1503 7.1503 k = 0.2647 0.4585 0.3054 ( 5068 PWs) bands (ev): -45.8191 -45.8191 -45.8191 -45.8191 1.5780 1.5780 1.5780 1.5780 4.8546 4.8546 4.8547 4.8547 7.2108 7.2108 k = 0.2598 0.4500 0.3054 ( 5072 PWs) bands (ev): -45.8192 -45.8192 -45.8192 -45.8192 1.4685 1.4685 1.4685 1.4685 4.9932 4.9932 4.9933 4.9933 7.2734 7.2734 k = 0.2549 0.4415 0.3054 ( 5072 PWs) bands (ev): -45.8194 -45.8194 -45.8194 -45.8194 1.3600 1.3600 1.3600 1.3600 5.1349 5.1349 5.1349 5.1349 7.3381 7.3381 k = 0.2500 0.4330 0.3054 ( 5070 PWs) bands (ev): -45.8195 -45.8195 -45.8195 -45.8195 1.2524 1.2524 1.2524 1.2524 5.2794 5.2794 5.2794 5.2794 7.4045 7.4045 k = 0.2451 0.4245 0.3054 ( 5070 PWs) bands (ev): -45.8197 -45.8197 -45.8197 -45.8197 1.1461 1.1461 1.1461 1.1461 5.4268 5.4268 5.4268 5.4268 7.4724 7.4724 k = 0.2402 0.4160 0.3054 ( 5072 PWs) bands (ev): -45.8198 -45.8198 -45.8198 -45.8198 1.0410 1.0410 1.0410 1.0410 5.5770 5.5770 5.5771 5.5771 7.5416 7.5416 k = 0.2353 0.4075 0.3054 ( 5076 PWs) bands (ev): -45.8200 -45.8200 -45.8200 -45.8200 0.9374 0.9374 0.9374 0.9374 5.7300 5.7300 5.7301 5.7301 7.6119 7.6119 k = 0.2304 0.3991 0.3054 ( 5072 PWs) bands (ev): -45.8202 -45.8202 -45.8202 -45.8202 0.8352 0.8352 0.8352 0.8352 5.8857 5.8857 5.8858 5.8858 7.6831 7.6831 k = 0.2255 0.3906 0.3054 ( 5076 PWs) bands (ev): -45.8204 -45.8204 -45.8204 -45.8204 0.7346 0.7346 0.7346 0.7346 6.0441 6.0441 6.0441 6.0441 7.7548 7.7548 k = 0.2206 0.3821 0.3054 ( 5072 PWs) bands (ev): -45.8206 -45.8206 -45.8206 -45.8206 0.6356 0.6356 0.6356 0.6356 6.2050 6.2050 6.2050 6.2050 7.8268 7.8268 k = 0.2157 0.3736 0.3054 ( 5072 PWs) bands (ev): -45.8208 -45.8208 -45.8208 -45.8208 0.5384 0.5384 0.5384 0.5384 6.3685 6.3685 6.3685 6.3685 7.8990 7.8990 k = 0.2108 0.3651 0.3054 ( 5080 PWs) bands (ev): -45.8210 -45.8210 -45.8210 -45.8210 0.4429 0.4429 0.4429 0.4429 6.5343 6.5343 6.5343 6.5343 7.9709 7.9709 k = 0.2059 0.3566 0.3054 ( 5072 PWs) bands (ev): -45.8212 -45.8212 -45.8212 -45.8212 0.3493 0.3493 0.3493 0.3493 6.7024 6.7024 6.7025 6.7025 8.0423 8.0423 k = 0.2010 0.3481 0.3054 ( 5088 PWs) bands (ev): -45.8214 -45.8214 -45.8214 -45.8214 0.2575 0.2575 0.2575 0.2575 6.8727 6.8727 6.8727 6.8727 8.1130 8.1130 k = 0.1961 0.3396 0.3054 ( 5084 PWs) bands (ev): -45.8217 -45.8217 -45.8217 -45.8217 0.1676 0.1676 0.1676 0.1676 7.0448 7.0448 7.0449 7.0449 8.1825 8.1826 k = 0.1912 0.3311 0.3054 ( 5082 PWs) bands (ev): -45.8219 -45.8219 -45.8219 -45.8219 0.0796 0.0796 0.0796 0.0796 7.2185 7.2185 7.2186 7.2186 8.2509 8.2509 k = 0.1863 0.3226 0.3054 ( 5082 PWs) bands (ev): -45.8222 -45.8222 -45.8222 -45.8222 -0.0064 -0.0064 -0.0064 -0.0064 7.3933 7.3933 7.3934 7.3934 8.3181 8.3181 k = 0.1814 0.3141 0.3054 ( 5086 PWs) bands (ev): -45.8224 -45.8224 -45.8224 -45.8224 -0.0903 -0.0903 -0.0903 -0.0903 7.5684 7.5684 7.5685 7.5685 8.3842 8.3843 k = 0.1765 0.3057 0.3054 ( 5088 PWs) bands (ev): -45.8227 -45.8227 -45.8227 -45.8227 -0.1723 -0.1723 -0.1723 -0.1723 7.7425 7.7425 7.7425 7.7425 8.4502 8.4502 k = 0.1716 0.2972 0.3054 ( 5088 PWs) bands (ev): -45.8229 -45.8229 -45.8229 -45.8229 -0.2522 -0.2522 -0.2522 -0.2522 7.9131 7.9131 7.9132 7.9132 8.5177 8.5177 k = 0.1667 0.2887 0.3054 ( 5088 PWs) bands (ev): -45.8232 -45.8232 -45.8232 -45.8232 -0.3300 -0.3300 -0.3300 -0.3300 8.0760 8.0760 8.0762 8.0762 8.5906 8.5907 k = 0.1618 0.2802 0.3054 ( 5088 PWs) bands (ev): -45.8234 -45.8234 -45.8234 -45.8234 -0.4057 -0.4057 -0.4057 -0.4057 8.2236 8.2236 8.2238 8.2238 8.6763 8.6764 k = 0.1569 0.2717 0.3054 ( 5090 PWs) bands (ev): -45.8237 -45.8237 -45.8237 -45.8237 -0.4793 -0.4793 -0.4793 -0.4793 8.3458 8.3458 8.3460 8.3460 8.7844 8.7844 k = 0.1520 0.2632 0.3054 ( 5094 PWs) bands (ev): -45.8240 -45.8240 -45.8240 -45.8240 -0.5507 -0.5507 -0.5507 -0.5507 8.4366 8.4366 8.4368 8.4368 8.9205 8.9206 k = 0.1471 0.2547 0.3054 ( 5090 PWs) bands (ev): -45.8242 -45.8242 -45.8242 -45.8242 -0.6200 -0.6200 -0.6200 -0.6200 8.4997 8.4997 8.4999 8.4999 9.0811 9.0811 k = 0.1422 0.2462 0.3054 ( 5098 PWs) bands (ev): -45.8245 -45.8245 -45.8245 -45.8245 -0.6872 -0.6872 -0.6872 -0.6872 8.5431 8.5431 8.5432 8.5432 9.2580 9.2581 k = 0.1373 0.2377 0.3054 ( 5098 PWs) bands (ev): -45.8248 -45.8248 -45.8248 -45.8248 -0.7521 -0.7521 -0.7521 -0.7521 8.5729 8.5729 8.5730 8.5730 9.4454 9.4454 k = 0.1324 0.2292 0.3054 ( 5098 PWs) bands (ev): -45.8250 -45.8250 -45.8250 -45.8250 -0.8149 -0.8149 -0.8149 -0.8149 8.5931 8.5931 8.5932 8.5932 9.6393 9.6393 k = 0.1275 0.2208 0.3054 ( 5102 PWs) bands (ev): -45.8253 -45.8253 -45.8253 -45.8253 -0.8754 -0.8754 -0.8754 -0.8754 8.6059 8.6059 8.6059 8.6059 9.8377 9.8377 k = 0.1225 0.2123 0.3054 ( 5102 PWs) bands (ev): -45.8255 -45.8255 -45.8255 -45.8255 -0.9338 -0.9338 -0.9338 -0.9338 8.6128 8.6128 8.6129 8.6129 10.0394 10.0394 k = 0.1176 0.2038 0.3054 ( 5102 PWs) bands (ev): -45.8258 -45.8258 -45.8258 -45.8258 -0.9899 -0.9899 -0.9899 -0.9899 8.6151 8.6151 8.6151 8.6151 10.2434 10.2435 k = 0.1127 0.1953 0.3054 ( 5106 PWs) bands (ev): -45.8261 -45.8261 -45.8261 -45.8261 -1.0438 -1.0438 -1.0438 -1.0438 8.6135 8.6135 8.6135 8.6135 10.4492 10.4492 k = 0.1078 0.1868 0.3054 ( 5102 PWs) bands (ev): -45.8263 -45.8263 -45.8263 -45.8263 -1.0954 -1.0954 -1.0954 -1.0954 8.6088 8.6088 8.6088 8.6088 10.6559 10.6560 k = 0.1029 0.1783 0.3054 ( 5098 PWs) bands (ev): -45.8265 -45.8265 -45.8265 -45.8265 -1.1448 -1.1448 -1.1448 -1.1448 8.6016 8.6016 8.6016 8.6016 10.8633 10.8633 k = 0.0980 0.1698 0.3054 ( 5102 PWs) bands (ev): -45.8268 -45.8268 -45.8268 -45.8268 -1.1920 -1.1920 -1.1920 -1.1920 8.5924 8.5924 8.5925 8.5925 11.0705 11.0706 k = 0.0931 0.1613 0.3054 ( 5102 PWs) bands (ev): -45.8270 -45.8270 -45.8270 -45.8270 -1.2368 -1.2368 -1.2368 -1.2368 8.5817 8.5817 8.5818 8.5818 11.2770 11.2771 k = 0.0882 0.1528 0.3054 ( 5110 PWs) bands (ev): -45.8272 -45.8272 -45.8272 -45.8272 -1.2794 -1.2794 -1.2794 -1.2794 8.5699 8.5699 8.5699 8.5699 11.4820 11.4822 k = 0.0833 0.1443 0.3054 ( 5106 PWs) bands (ev): -45.8274 -45.8274 -45.8274 -45.8274 -1.3198 -1.3198 -1.3198 -1.3198 8.5573 8.5573 8.5573 8.5573 11.6848 11.6849 k = 0.0784 0.1358 0.3054 ( 5110 PWs) bands (ev): -45.8276 -45.8276 -45.8276 -45.8276 -1.3578 -1.3578 -1.3578 -1.3578 8.5442 8.5442 8.5442 8.5442 11.8843 11.8844 k = 0.0735 0.1274 0.3054 ( 5106 PWs) bands (ev): -45.8278 -45.8278 -45.8278 -45.8278 -1.3936 -1.3936 -1.3936 -1.3936 8.5309 8.5309 8.5310 8.5310 12.0793 12.0794 k = 0.0686 0.1189 0.3054 ( 5106 PWs) bands (ev): -45.8280 -45.8280 -45.8280 -45.8280 -1.4271 -1.4271 -1.4271 -1.4271 8.5177 8.5177 8.5177 8.5177 12.2684 12.2685 k = 0.0637 0.1104 0.3054 ( 5102 PWs) bands (ev): -45.8282 -45.8282 -45.8282 -45.8282 -1.4583 -1.4583 -1.4583 -1.4583 8.5046 8.5046 8.5046 8.5046 12.4503 12.4505 k = 0.0588 0.1019 0.3054 ( 5106 PWs) bands (ev): -45.8283 -45.8283 -45.8283 -45.8283 -1.4872 -1.4872 -1.4872 -1.4872 8.4920 8.4920 8.4920 8.4920 12.6232 12.6235 k = 0.0539 0.0934 0.3054 ( 5098 PWs) bands (ev): -45.8285 -45.8285 -45.8285 -45.8285 -1.5137 -1.5137 -1.5137 -1.5137 8.4799 8.4799 8.4799 8.4799 12.7851 12.7854 k = 0.0490 0.0849 0.3054 ( 5090 PWs) bands (ev): -45.8286 -45.8286 -45.8286 -45.8286 -1.5380 -1.5380 -1.5380 -1.5380 8.4684 8.4684 8.4684 8.4684 12.9346 12.9348 k = 0.0441 0.0764 0.3054 ( 5094 PWs) bands (ev): -45.8287 -45.8287 -45.8287 -45.8287 -1.5600 -1.5600 -1.5600 -1.5600 8.4578 8.4578 8.4578 8.4578 13.0697 13.0698 k = 0.0392 0.0679 0.3054 ( 5094 PWs) bands (ev): -45.8288 -45.8288 -45.8288 -45.8288 -1.5797 -1.5797 -1.5797 -1.5797 8.4480 8.4480 8.4480 8.4480 13.1906 13.1910 k = 0.0343 0.0594 0.3054 ( 5090 PWs) bands (ev): -45.8289 -45.8289 -45.8289 -45.8289 -1.5971 -1.5971 -1.5971 -1.5971 8.4393 8.4393 8.4393 8.4393 13.2978 13.2980 k = 0.0294 0.0509 0.3054 ( 5086 PWs) bands (ev): -45.8290 -45.8290 -45.8290 -45.8290 -1.6121 -1.6121 -1.6121 -1.6121 8.4315 8.4315 8.4315 8.4315 13.3924 13.3925 k = 0.0245 0.0425 0.3054 ( 5080 PWs) bands (ev): -45.8291 -45.8291 -45.8291 -45.8291 -1.6249 -1.6249 -1.6249 -1.6249 8.4249 8.4249 8.4249 8.4249 13.4744 13.4745 k = 0.0196 0.0340 0.3054 ( 5076 PWs) bands (ev): -45.8292 -45.8292 -45.8292 -45.8292 -1.6353 -1.6353 -1.6353 -1.6353 8.4194 8.4194 8.4194 8.4194 13.5438 13.5439 k = 0.0147 0.0255 0.3054 ( 5068 PWs) bands (ev): -45.8292 -45.8292 -45.8292 -45.8292 -1.6434 -1.6434 -1.6434 -1.6434 8.4150 8.4150 8.4150 8.4150 13.5993 13.5994 k = 0.0098 0.0170 0.3054 ( 5064 PWs) bands (ev): -45.8292 -45.8292 -45.8292 -45.8292 -1.6492 -1.6492 -1.6492 -1.6492 8.4119 8.4119 8.4119 8.4119 13.6399 13.6400 k = 0.0049 0.0085 0.3054 ( 5064 PWs) bands (ev): -45.8293 -45.8293 -45.8293 -45.8293 -1.6527 -1.6527 -1.6527 -1.6527 8.4101 8.4101 8.4101 8.4101 13.6651 13.6652 k = 0.0000 0.0000 0.3054 ( 5048 PWs) bands (ev): -45.8293 -45.8293 -45.8293 -45.8293 -1.6538 -1.6538 -1.6538 -1.6538 8.4094 8.4094 8.4094 8.4094 13.6732 13.6734 k = 0.5000 0.2887 0.3054 ( 5064 PWs) bands (ev): -45.8195 -45.8195 -45.8195 -45.8195 1.4387 1.4387 1.4387 1.4387 4.0849 4.0849 4.0849 4.0849 10.2565 10.2565 k = 0.5000 0.2887 0.2956 ( 5058 PWs) bands (ev): -45.8196 -45.8196 -45.8194 -45.8194 1.4059 1.4059 1.4703 1.4703 4.0834 4.0834 4.0917 4.0917 10.1741 10.1741 k = 0.5000 0.2887 0.2857 ( 5054 PWs) bands (ev): -45.8197 -45.8197 -45.8193 -45.8193 1.3721 1.3721 1.5005 1.5005 4.0875 4.0875 4.1036 4.1036 10.0941 10.0941 k = 0.5000 0.2887 0.2759 ( 5052 PWs) bands (ev): -45.8198 -45.8198 -45.8191 -45.8191 1.3375 1.3375 1.5291 1.5291 4.0973 4.0973 4.1204 4.1204 10.0165 10.0165 k = 0.5000 0.2887 0.2660 ( 5058 PWs) bands (ev): -45.8200 -45.8200 -45.8190 -45.8190 1.3023 1.3023 1.5559 1.5559 4.1130 4.1130 4.1418 4.1418 9.9415 9.9415 k = 0.5000 0.2887 0.2562 ( 5062 PWs) bands (ev): -45.8201 -45.8201 -45.8189 -45.8189 1.2668 1.2668 1.5808 1.5808 4.1347 4.1347 4.1676 4.1676 9.8689 9.8689 k = 0.5000 0.2887 0.2463 ( 5050 PWs) bands (ev): -45.8202 -45.8202 -45.8188 -45.8188 1.2311 1.2311 1.6038 1.6038 4.1625 4.1625 4.1975 4.1975 9.7989 9.7989 k = 0.5000 0.2887 0.2365 ( 5050 PWs) bands (ev): -45.8203 -45.8203 -45.8187 -45.8187 1.1955 1.1955 1.6246 1.6246 4.1965 4.1965 4.2312 4.2312 9.7315 9.7315 k = 0.5000 0.2887 0.2266 ( 5048 PWs) bands (ev): -45.8204 -45.8204 -45.8186 -45.8186 1.1602 1.1602 1.6434 1.6434 4.2367 4.2367 4.2685 4.2685 9.6667 9.6667 k = 0.5000 0.2887 0.2167 ( 5048 PWs) bands (ev): -45.8205 -45.8205 -45.8185 -45.8185 1.1254 1.1254 1.6602 1.6602 4.2830 4.2830 4.3091 4.3091 9.6046 9.6046 k = 0.5000 0.2887 0.2069 ( 5052 PWs) bands (ev): -45.8206 -45.8206 -45.8184 -45.8184 1.0911 1.0911 1.6749 1.6749 4.3353 4.3353 4.3528 4.3528 9.5450 9.5450 k = 0.5000 0.2887 0.1970 ( 5052 PWs) bands (ev): -45.8207 -45.8207 -45.8183 -45.8183 1.0576 1.0576 1.6877 1.6877 4.3937 4.3937 4.3993 4.3993 9.4882 9.4882 k = 0.5000 0.2887 0.1872 ( 5052 PWs) bands (ev): -45.8208 -45.8208 -45.8182 -45.8182 1.0250 1.0250 1.6987 1.6987 4.4484 4.4484 4.4579 4.4579 9.4340 9.4340 k = 0.5000 0.2887 0.1773 ( 5056 PWs) bands (ev): -45.8209 -45.8209 -45.8181 -45.8181 0.9935 0.9935 1.7079 1.7079 4.4997 4.4997 4.5277 4.5277 9.3826 9.3826 k = 0.5000 0.2887 0.1675 ( 5058 PWs) bands (ev): -45.8210 -45.8210 -45.8180 -45.8180 0.9631 0.9631 1.7156 1.7156 4.5529 4.5529 4.6031 4.6031 9.3338 9.3338 k = 0.5000 0.2887 0.1576 ( 5058 PWs) bands (ev): -45.8211 -45.8211 -45.8179 -45.8179 0.9340 0.9340 1.7219 1.7219 4.6078 4.6078 4.6838 4.6838 9.1983 9.2878 k = 0.5000 0.2887 0.1478 ( 5064 PWs) bands (ev): -45.8212 -45.8212 -45.8178 -45.8178 0.9062 0.9062 1.7269 1.7269 4.6639 4.6639 4.7697 4.7697 9.0235 9.0235 k = 0.5000 0.2887 0.1379 ( 5072 PWs) bands (ev): -45.8213 -45.8213 -45.8177 -45.8177 0.8799 0.8799 1.7308 1.7308 4.7210 4.7210 4.8604 4.8604 8.8493 8.8493 k = 0.5000 0.2887 0.1281 ( 5070 PWs) bands (ev): -45.8213 -45.8213 -45.8177 -45.8177 0.8551 0.8551 1.7338 1.7338 4.7786 4.7786 4.9559 4.9559 8.6761 8.6761 k = 0.5000 0.2887 0.1182 ( 5074 PWs) bands (ev): -45.8214 -45.8214 -45.8176 -45.8176 0.8318 0.8318 1.7360 1.7360 4.8362 4.8362 5.0560 5.0560 8.5042 8.5042 k = 0.5000 0.2887 0.1084 ( 5068 PWs) bands (ev): -45.8215 -45.8215 -45.8175 -45.8175 0.8103 0.8103 1.7375 1.7375 4.8933 4.8933 5.1604 5.1604 8.3336 8.3336 k = 0.5000 0.2887 0.0985 ( 5072 PWs) bands (ev): -45.8215 -45.8215 -45.8175 -45.8175 0.7904 0.7904 1.7384 1.7384 4.9493 4.9493 5.2690 5.2690 8.1647 8.1647 k = 0.5000 0.2887 0.0887 ( 5064 PWs) bands (ev): -45.8216 -45.8216 -45.8174 -45.8174 0.7723 0.7723 1.7389 1.7389 5.0037 5.0037 5.3814 5.3814 7.9976 7.9976 k = 0.5000 0.2887 0.0788 ( 5068 PWs) bands (ev): -45.8216 -45.8216 -45.8174 -45.8174 0.7560 0.7560 1.7391 1.7391 5.0556 5.0556 5.4977 5.4977 7.8326 7.8326 k = 0.5000 0.2887 0.0690 ( 5064 PWs) bands (ev): -45.8217 -45.8217 -45.8173 -45.8173 0.7416 0.7416 1.7391 1.7391 5.1044 5.1044 5.6173 5.6173 7.6698 7.6698 k = 0.5000 0.2887 0.0591 ( 5064 PWs) bands (ev): -45.8217 -45.8217 -45.8173 -45.8173 0.7290 0.7290 1.7389 1.7389 5.1492 5.1492 5.7402 5.7402 7.5097 7.5097 k = 0.5000 0.2887 0.0493 ( 5068 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.7183 0.7183 1.7386 1.7386 5.1891 5.1891 5.8659 5.8659 7.3525 7.3525 k = 0.5000 0.2887 0.0394 ( 5078 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.7095 0.7095 1.7383 1.7383 5.2232 5.2232 5.9937 5.9937 7.1990 7.1990 k = 0.5000 0.2887 0.0296 ( 5070 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.7026 0.7026 1.7380 1.7380 5.2508 5.2508 6.1222 6.1222 7.0504 7.0504 k = 0.5000 0.2887 0.0197 ( 5068 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.6977 0.6977 1.7377 1.7377 5.2711 5.2711 6.2483 6.2483 6.9100 6.9100 k = 0.5000 0.2887 0.0099 ( 5068 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.6948 0.6948 1.7376 1.7376 5.2835 5.2835 6.3608 6.3608 6.7889 6.7889 k = 0.5000 0.2887-0.0000 ( 5066 PWs) bands (ev): -45.8218 -45.8218 -45.8172 -45.8172 0.6938 0.6938 1.7375 1.7375 5.2877 5.2877 6.4167 6.4167 6.7301 6.7301 k = 0.3333 0.5774-0.0000 ( 5112 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.0393 2.0393 2.9089 2.9089 2.9090 2.9090 6.8025 6.8025 6.9547 6.9547 k = 0.3333 0.5774 0.0099 ( 5106 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.0408 2.0408 2.9088 2.9088 2.9089 2.9089 6.7881 6.7881 6.9539 6.9539 k = 0.3333 0.5774 0.0197 ( 5106 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.0452 2.0452 2.9085 2.9085 2.9086 2.9086 6.7461 6.7461 6.9515 6.9515 k = 0.3333 0.5774 0.0296 ( 5100 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.0526 2.0526 2.9080 2.9080 2.9081 2.9081 6.6800 6.6800 6.9475 6.9475 k = 0.3333 0.5774 0.0394 ( 5094 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.0629 2.0629 2.9073 2.9073 2.9074 2.9074 6.5945 6.5945 6.9421 6.9421 k = 0.3333 0.5774 0.0493 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.0762 2.0762 2.9064 2.9064 2.9065 2.9065 6.4940 6.4940 6.9353 6.9353 k = 0.3333 0.5774 0.0591 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.0924 2.0924 2.9053 2.9053 2.9054 2.9054 6.3825 6.3825 6.9271 6.9271 k = 0.3333 0.5774 0.0690 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.1116 2.1116 2.9041 2.9041 2.9042 2.9042 6.2631 6.2631 6.9178 6.9178 k = 0.3333 0.5774 0.0788 ( 5079 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.1337 2.1337 2.9027 2.9027 2.9028 2.9028 6.1384 6.1384 6.9075 6.9075 k = 0.3333 0.5774 0.0887 ( 5097 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.1588 2.1588 2.9011 2.9011 2.9012 2.9012 6.0101 6.0101 6.8963 6.8963 k = 0.3333 0.5774 0.0985 ( 5085 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.1868 2.1868 2.8994 2.8994 2.8995 2.8995 5.8797 5.8797 6.8844 6.8844 k = 0.3333 0.5774 0.1084 ( 5085 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.2177 2.2177 2.8976 2.8976 2.8978 2.8978 5.7483 5.7483 6.8719 6.8719 k = 0.3333 0.5774 0.1182 ( 5085 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.2516 2.2516 2.8958 2.8958 2.8959 2.8959 5.6165 5.6165 6.8590 6.8590 k = 0.3333 0.5774 0.1281 ( 5097 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.2885 2.2885 2.8938 2.8938 2.8939 2.8939 5.4851 5.4851 6.8458 6.8458 k = 0.3333 0.5774 0.1379 ( 5097 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.3282 2.3282 2.8918 2.8918 2.8919 2.8919 5.3545 5.3545 6.8325 6.8325 k = 0.3333 0.5774 0.1478 ( 5097 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.3709 2.3709 2.8898 2.8898 2.8899 2.8899 5.2251 5.2251 6.8192 6.8192 k = 0.3333 0.5774 0.1576 ( 5097 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.4166 2.4166 2.8877 2.8877 2.8879 2.8879 5.0971 5.0971 6.8061 6.8061 k = 0.3333 0.5774 0.1675 ( 5097 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.4651 2.4651 2.8857 2.8857 2.8858 2.8858 4.9709 4.9709 6.7933 6.7933 k = 0.3333 0.5774 0.1773 ( 5103 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.5166 2.5166 2.8837 2.8837 2.8838 2.8838 4.8465 4.8465 6.7809 6.7809 k = 0.3333 0.5774 0.1872 ( 5103 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.5710 2.5710 2.8818 2.8818 2.8819 2.8819 4.7243 4.7243 6.7690 6.7690 k = 0.3333 0.5774 0.1970 ( 5097 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.6283 2.6283 2.8799 2.8799 2.8800 2.8800 4.6042 4.6042 6.7577 6.7577 k = 0.3333 0.5774 0.2069 ( 5097 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.6885 2.6885 2.8781 2.8781 2.8782 2.8782 4.4864 4.4864 6.7472 6.7472 k = 0.3333 0.5774 0.2167 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.7516 2.7516 2.8764 2.8764 2.8765 2.8765 4.3710 4.3710 6.7374 6.7374 k = 0.3333 0.5774 0.2266 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8177 2.8177 2.8749 2.8749 2.8750 2.8750 4.2581 4.2581 6.7284 6.7284 k = 0.3333 0.5774 0.2365 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8735 2.8735 2.8736 2.8736 2.8866 2.8866 4.1477 4.1477 6.7204 6.7204 k = 0.3333 0.5774 0.2463 ( 5079 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8722 2.8722 2.8723 2.8723 2.9584 2.9584 4.0398 4.0398 6.7133 6.7133 k = 0.3333 0.5774 0.2562 ( 5067 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8711 2.8711 2.8712 2.8712 3.0330 3.0330 3.9346 3.9346 6.7073 6.7073 k = 0.3333 0.5774 0.2660 ( 5061 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8702 2.8702 2.8703 2.8703 3.1105 3.1105 3.8320 3.8320 6.7023 6.7023 k = 0.3333 0.5774 0.2759 ( 5058 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8695 2.8695 2.8696 2.8696 3.1909 3.1909 3.7322 3.7322 6.6983 6.6983 k = 0.3333 0.5774 0.2857 ( 5079 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8690 2.8690 2.8691 2.8691 3.2741 3.2741 3.6350 3.6350 6.6955 6.6955 k = 0.3333 0.5774 0.2956 ( 5079 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8687 2.8687 2.8688 2.8688 3.3601 3.3601 3.5406 3.5406 6.6938 6.6938 k = 0.3333 0.5774 0.3054 ( 5088 PWs) bands (ev): -45.8183 -45.8183 -45.8183 -45.8183 2.8686 2.8686 2.8687 2.8687 3.4489 3.4489 3.4490 3.4490 6.6932 6.6932 Writing output data file Li.save init_run : 0.04s CPU 0.17s WALL ( 1 calls) electrons : 30.96s CPU 31.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 30.96s CPU 31.72s 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 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 424 calls) cegterg : 26.82s CPU 27.28s WALL ( 436 calls) Called by sum_band: Called by *egterg: h_psi : 19.16s CPU 19.54s WALL ( 5822 calls) s_psi : 0.25s CPU 0.22s WALL ( 5822 calls) g_psi : 0.06s CPU 0.08s WALL ( 4962 calls) cdiaghg : 8.26s CPU 8.30s WALL ( 5386 calls) cegterg:over : 0.85s CPU 0.82s WALL ( 4962 calls) cegterg:upda : 0.63s CPU 0.79s WALL ( 4962 calls) cegterg:last : 0.38s CPU 0.42s WALL ( 1214 calls) cdiaghg:chol : 0.58s CPU 0.50s WALL ( 5386 calls) cdiaghg:inve : 0.09s CPU 0.12s WALL ( 5386 calls) cdiaghg:para : 0.68s CPU 0.66s WALL ( 10772 calls) Called by h_psi: h_psi:vloc : 18.42s CPU 18.84s WALL ( 5822 calls) h_psi:vnl : 0.70s CPU 0.66s WALL ( 5822 calls) add_vuspsi : 0.26s CPU 0.25s WALL ( 5822 calls) General routines calbec : 0.44s CPU 0.40s WALL ( 5822 calls) fft : 0.00s CPU 0.00s WALL ( 14 calls) fftw : 17.48s CPU 17.88s WALL ( 217984 calls) davcio : 0.14s CPU 0.11s WALL ( 848 calls) Parallel routines fft_scatter : 6.58s CPU 6.73s WALL ( 217998 calls) PWSCF : 38.04s CPU 47.33s WALL This run was terminated on: 20:36:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=