Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:17:43 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: ./Li3Sb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized 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 62 62 17 4204 4204 603 Max 63 63 18 4213 4213 613 Sum 2233 2233 613 151457 151457 21869 bravais-lattice index = 14 lattice parameter (alat) = 8.8836 a.u. unit-cell volume = 1073.1400 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 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)= 8.883602 celldm(2)= 1.000000 celldm(3)= 1.767496 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 1.767496 ) 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 0.565772 ) 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 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Sb 5.00 121.76000 Sb( 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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 ) ( 0.8837481 ) 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= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0035714 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0035714 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0035714 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0035714 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0035714 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0035714 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0035714 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0035714 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0035714 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0035714 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0035714 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0035714 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0035714 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0035714 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0035714 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0035714 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0035714 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0035714 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0035714 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0035714 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0035714 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0035714 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0035714 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0035714 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0035714 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0035714 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0035714 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0035714 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0035714 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0035714 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0035714 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0035714 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0035714 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0035714 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0035714 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0035714 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0035714 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0035714 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035714 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035714 k( 42) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0035714 k( 43) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0035714 k( 44) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0035714 k( 45) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0035714 k( 46) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0035714 k( 47) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0035714 k( 48) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0035714 k( 49) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0035714 k( 50) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0035714 k( 51) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0035714 k( 52) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0035714 k( 53) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0035714 k( 54) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0035714 k( 55) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0035714 k( 56) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0035714 k( 57) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0035714 k( 58) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0035714 k( 59) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0035714 k( 60) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0035714 k( 61) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0035714 k( 62) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0035714 k( 63) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0035714 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035714 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035714 k( 66) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0035714 k( 67) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0035714 k( 68) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0035714 k( 69) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0035714 k( 70) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0035714 k( 71) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0035714 k( 72) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0035714 k( 73) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0035714 k( 74) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0035714 k( 75) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0035714 k( 76) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0035714 k( 77) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0035714 k( 78) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0035714 k( 79) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0035714 k( 80) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0035714 k( 81) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0035714 k( 82) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0035714 k( 83) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0035714 k( 84) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0035714 k( 85) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0035714 k( 86) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0035714 k( 87) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0035714 k( 88) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0035714 k( 89) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0035714 k( 90) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0035714 k( 91) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0035714 k( 92) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0035714 k( 93) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0035714 k( 94) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0035714 k( 95) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0035714 k( 96) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0035714 k( 97) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0035714 k( 98) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0035714 k( 99) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0035714 k( 100) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0035714 k( 101) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0035714 k( 102) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0035714 k( 103) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0035714 k( 104) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0035714 k( 105) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0035714 k( 106) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0035714 k( 107) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0035714 k( 108) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0035714 k( 109) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0035714 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 112) = ( 0.0000000 0.0000000 0.0148887), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.0297775), wk = 0.0035714 k( 114) = ( 0.0000000 0.0000000 0.0446662), wk = 0.0035714 k( 115) = ( 0.0000000 0.0000000 0.0595550), wk = 0.0035714 k( 116) = ( 0.0000000 0.0000000 0.0744437), wk = 0.0035714 k( 117) = ( 0.0000000 0.0000000 0.0893324), wk = 0.0035714 k( 118) = ( 0.0000000 0.0000000 0.1042212), wk = 0.0035714 k( 119) = ( 0.0000000 0.0000000 0.1191099), wk = 0.0035714 k( 120) = ( 0.0000000 0.0000000 0.1339986), wk = 0.0035714 k( 121) = ( 0.0000000 0.0000000 0.1488874), wk = 0.0035714 k( 122) = ( 0.0000000 0.0000000 0.1637761), wk = 0.0035714 k( 123) = ( 0.0000000 0.0000000 0.1786649), wk = 0.0035714 k( 124) = ( 0.0000000 0.0000000 0.1935536), wk = 0.0035714 k( 125) = ( 0.0000000 0.0000000 0.2084423), wk = 0.0035714 k( 126) = ( 0.0000000 0.0000000 0.2233311), wk = 0.0035714 k( 127) = ( 0.0000000 0.0000000 0.2382198), wk = 0.0035714 k( 128) = ( 0.0000000 0.0000000 0.2531086), wk = 0.0035714 k( 129) = ( 0.0000000 0.0000000 0.2679973), wk = 0.0035714 k( 130) = ( 0.0000000 0.0000000 0.2828860), wk = 0.0035714 k( 131) = ( 0.0000000 0.0000000 0.2828860), wk = 0.0035714 k( 132) = ( 0.0128205 0.0074019 0.2828860), wk = 0.0035714 k( 133) = ( 0.0256410 0.0148039 0.2828860), wk = 0.0035714 k( 134) = ( 0.0384615 0.0222058 0.2828860), wk = 0.0035714 k( 135) = ( 0.0512821 0.0296077 0.2828860), wk = 0.0035714 k( 136) = ( 0.0641026 0.0370096 0.2828860), wk = 0.0035714 k( 137) = ( 0.0769231 0.0444116 0.2828860), wk = 0.0035714 k( 138) = ( 0.0897436 0.0518135 0.2828860), wk = 0.0035714 k( 139) = ( 0.1025641 0.0592154 0.2828860), wk = 0.0035714 k( 140) = ( 0.1153846 0.0666173 0.2828860), wk = 0.0035714 k( 141) = ( 0.1282051 0.0740193 0.2828860), wk = 0.0035714 k( 142) = ( 0.1410256 0.0814212 0.2828860), wk = 0.0035714 k( 143) = ( 0.1538461 0.0888231 0.2828860), wk = 0.0035714 k( 144) = ( 0.1666667 0.0962250 0.2828860), wk = 0.0035714 k( 145) = ( 0.1794872 0.1036270 0.2828860), wk = 0.0035714 k( 146) = ( 0.1923077 0.1110289 0.2828860), wk = 0.0035714 k( 147) = ( 0.2051282 0.1184308 0.2828860), wk = 0.0035714 k( 148) = ( 0.2179487 0.1258328 0.2828860), wk = 0.0035714 k( 149) = ( 0.2307692 0.1332347 0.2828860), wk = 0.0035714 k( 150) = ( 0.2435897 0.1406366 0.2828860), wk = 0.0035714 k( 151) = ( 0.2564103 0.1480385 0.2828860), wk = 0.0035714 k( 152) = ( 0.2692308 0.1554405 0.2828860), wk = 0.0035714 k( 153) = ( 0.2820513 0.1628424 0.2828860), wk = 0.0035714 k( 154) = ( 0.2948718 0.1702443 0.2828860), wk = 0.0035714 k( 155) = ( 0.3076923 0.1776462 0.2828860), wk = 0.0035714 k( 156) = ( 0.3205128 0.1850482 0.2828860), wk = 0.0035714 k( 157) = ( 0.3333333 0.1924501 0.2828860), wk = 0.0035714 k( 158) = ( 0.3461538 0.1998520 0.2828860), wk = 0.0035714 k( 159) = ( 0.3589744 0.2072539 0.2828860), wk = 0.0035714 k( 160) = ( 0.3717949 0.2146559 0.2828860), wk = 0.0035714 k( 161) = ( 0.3846154 0.2220578 0.2828860), wk = 0.0035714 k( 162) = ( 0.3974359 0.2294597 0.2828860), wk = 0.0035714 k( 163) = ( 0.4102564 0.2368616 0.2828860), wk = 0.0035714 k( 164) = ( 0.4230769 0.2442636 0.2828860), wk = 0.0035714 k( 165) = ( 0.4358974 0.2516655 0.2828860), wk = 0.0035714 k( 166) = ( 0.4487179 0.2590674 0.2828860), wk = 0.0035714 k( 167) = ( 0.4615385 0.2664694 0.2828860), wk = 0.0035714 k( 168) = ( 0.4743590 0.2738713 0.2828860), wk = 0.0035714 k( 169) = ( 0.4871795 0.2812732 0.2828860), wk = 0.0035714 k( 170) = ( 0.5000000 0.2886751 0.2828860), wk = 0.0035714 k( 171) = ( 0.5000000 0.2886751 0.2828860), wk = 0.0035714 k( 172) = ( 0.4927536 0.3012262 0.2828860), wk = 0.0035714 k( 173) = ( 0.4855073 0.3137773 0.2828860), wk = 0.0035714 k( 174) = ( 0.4782609 0.3263284 0.2828860), wk = 0.0035714 k( 175) = ( 0.4710145 0.3388795 0.2828860), wk = 0.0035714 k( 176) = ( 0.4637681 0.3514306 0.2828860), wk = 0.0035714 k( 177) = ( 0.4565217 0.3639817 0.2828860), wk = 0.0035714 k( 178) = ( 0.4492754 0.3765328 0.2828860), wk = 0.0035714 k( 179) = ( 0.4420290 0.3890839 0.2828860), wk = 0.0035714 k( 180) = ( 0.4347826 0.4016350 0.2828860), wk = 0.0035714 k( 181) = ( 0.4275362 0.4141861 0.2828860), wk = 0.0035714 k( 182) = ( 0.4202899 0.4267372 0.2828860), wk = 0.0035714 k( 183) = ( 0.4130435 0.4392882 0.2828860), wk = 0.0035714 k( 184) = ( 0.4057971 0.4518393 0.2828860), wk = 0.0035714 k( 185) = ( 0.3985507 0.4643904 0.2828860), wk = 0.0035714 k( 186) = ( 0.3913044 0.4769415 0.2828860), wk = 0.0035714 k( 187) = ( 0.3840580 0.4894926 0.2828860), wk = 0.0035714 k( 188) = ( 0.3768116 0.5020437 0.2828860), wk = 0.0035714 k( 189) = ( 0.3695652 0.5145948 0.2828860), wk = 0.0035714 k( 190) = ( 0.3623188 0.5271459 0.2828860), wk = 0.0035714 k( 191) = ( 0.3550725 0.5396970 0.2828860), wk = 0.0035714 k( 192) = ( 0.3478261 0.5522481 0.2828860), wk = 0.0035714 k( 193) = ( 0.3405797 0.5647992 0.2828860), wk = 0.0035714 k( 194) = ( 0.3333333 0.5773503 0.2828860), wk = 0.0035714 k( 195) = ( 0.3333333 0.5773503 0.2828860), wk = 0.0035714 k( 196) = ( 0.3259259 0.5645203 0.2828860), wk = 0.0035714 k( 197) = ( 0.3185185 0.5516903 0.2828860), wk = 0.0035714 k( 198) = ( 0.3111111 0.5388602 0.2828860), wk = 0.0035714 k( 199) = ( 0.3037037 0.5260302 0.2828860), wk = 0.0035714 k( 200) = ( 0.2962963 0.5132002 0.2828860), wk = 0.0035714 k( 201) = ( 0.2888889 0.5003702 0.2828860), wk = 0.0035714 k( 202) = ( 0.2814815 0.4875402 0.2828860), wk = 0.0035714 k( 203) = ( 0.2740741 0.4747102 0.2828860), wk = 0.0035714 k( 204) = ( 0.2666667 0.4618802 0.2828860), wk = 0.0035714 k( 205) = ( 0.2592593 0.4490502 0.2828860), wk = 0.0035714 k( 206) = ( 0.2518518 0.4362202 0.2828860), wk = 0.0035714 k( 207) = ( 0.2444444 0.4233902 0.2828860), wk = 0.0035714 k( 208) = ( 0.2370370 0.4105602 0.2828860), wk = 0.0035714 k( 209) = ( 0.2296296 0.3977302 0.2828860), wk = 0.0035714 k( 210) = ( 0.2222222 0.3849002 0.2828860), wk = 0.0035714 k( 211) = ( 0.2148148 0.3720702 0.2828860), wk = 0.0035714 k( 212) = ( 0.2074074 0.3592402 0.2828860), wk = 0.0035714 k( 213) = ( 0.2000000 0.3464102 0.2828860), wk = 0.0035714 k( 214) = ( 0.1925926 0.3335802 0.2828860), wk = 0.0035714 k( 215) = ( 0.1851852 0.3207502 0.2828860), wk = 0.0035714 k( 216) = ( 0.1777778 0.3079201 0.2828860), wk = 0.0035714 k( 217) = ( 0.1703704 0.2950901 0.2828860), wk = 0.0035714 k( 218) = ( 0.1629630 0.2822601 0.2828860), wk = 0.0035714 k( 219) = ( 0.1555556 0.2694301 0.2828860), wk = 0.0035714 k( 220) = ( 0.1481482 0.2566001 0.2828860), wk = 0.0035714 k( 221) = ( 0.1407407 0.2437701 0.2828860), wk = 0.0035714 k( 222) = ( 0.1333333 0.2309401 0.2828860), wk = 0.0035714 k( 223) = ( 0.1259259 0.2181101 0.2828860), wk = 0.0035714 k( 224) = ( 0.1185185 0.2052801 0.2828860), wk = 0.0035714 k( 225) = ( 0.1111111 0.1924501 0.2828860), wk = 0.0035714 k( 226) = ( 0.1037037 0.1796201 0.2828860), wk = 0.0035714 k( 227) = ( 0.0962963 0.1667901 0.2828860), wk = 0.0035714 k( 228) = ( 0.0888889 0.1539601 0.2828860), wk = 0.0035714 k( 229) = ( 0.0814815 0.1411301 0.2828860), wk = 0.0035714 k( 230) = ( 0.0740741 0.1283001 0.2828860), wk = 0.0035714 k( 231) = ( 0.0666667 0.1154701 0.2828860), wk = 0.0035714 k( 232) = ( 0.0592593 0.1026400 0.2828860), wk = 0.0035714 k( 233) = ( 0.0518518 0.0898100 0.2828860), wk = 0.0035714 k( 234) = ( 0.0444444 0.0769800 0.2828860), wk = 0.0035714 k( 235) = ( 0.0370370 0.0641500 0.2828860), wk = 0.0035714 k( 236) = ( 0.0296296 0.0513200 0.2828860), wk = 0.0035714 k( 237) = ( 0.0222222 0.0384900 0.2828860), wk = 0.0035714 k( 238) = ( 0.0148148 0.0256600 0.2828860), wk = 0.0035714 k( 239) = ( 0.0074074 0.0128300 0.2828860), wk = 0.0035714 k( 240) = ( 0.0000000 0.0000000 0.2828860), wk = 0.0035714 k( 241) = ( 0.5000000 0.2886751 0.2828860), wk = 0.0035714 k( 242) = ( 0.5000000 0.2886751 0.2679973), wk = 0.0035714 k( 243) = ( 0.5000000 0.2886751 0.2531086), wk = 0.0035714 k( 244) = ( 0.5000000 0.2886751 0.2382198), wk = 0.0035714 k( 245) = ( 0.5000000 0.2886751 0.2233311), wk = 0.0035714 k( 246) = ( 0.5000000 0.2886751 0.2084423), wk = 0.0035714 k( 247) = ( 0.5000000 0.2886751 0.1935536), wk = 0.0035714 k( 248) = ( 0.5000000 0.2886751 0.1786649), wk = 0.0035714 k( 249) = ( 0.5000000 0.2886751 0.1637761), wk = 0.0035714 k( 250) = ( 0.5000000 0.2886751 0.1488874), wk = 0.0035714 k( 251) = ( 0.5000000 0.2886751 0.1339986), wk = 0.0035714 k( 252) = ( 0.5000000 0.2886751 0.1191099), wk = 0.0035714 k( 253) = ( 0.5000000 0.2886751 0.1042212), wk = 0.0035714 k( 254) = ( 0.5000000 0.2886751 0.0893324), wk = 0.0035714 k( 255) = ( 0.5000000 0.2886751 0.0744437), wk = 0.0035714 k( 256) = ( 0.5000000 0.2886751 0.0595550), wk = 0.0035714 k( 257) = ( 0.5000000 0.2886751 0.0446662), wk = 0.0035714 k( 258) = ( 0.5000000 0.2886751 0.0297775), wk = 0.0035714 k( 259) = ( 0.5000000 0.2886751 0.0148887), wk = 0.0035714 k( 260) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035714 k( 261) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035714 k( 262) = ( 0.3333333 0.5773503 0.0148887), wk = 0.0035714 k( 263) = ( 0.3333333 0.5773503 0.0297775), wk = 0.0035714 k( 264) = ( 0.3333333 0.5773503 0.0446662), wk = 0.0035714 k( 265) = ( 0.3333333 0.5773503 0.0595550), wk = 0.0035714 k( 266) = ( 0.3333333 0.5773503 0.0744437), wk = 0.0035714 k( 267) = ( 0.3333333 0.5773503 0.0893324), wk = 0.0035714 k( 268) = ( 0.3333333 0.5773503 0.1042212), wk = 0.0035714 k( 269) = ( 0.3333333 0.5773503 0.1191099), wk = 0.0035714 k( 270) = ( 0.3333333 0.5773503 0.1339986), wk = 0.0035714 k( 271) = ( 0.3333333 0.5773503 0.1488874), wk = 0.0035714 k( 272) = ( 0.3333333 0.5773503 0.1637761), wk = 0.0035714 k( 273) = ( 0.3333333 0.5773503 0.1786649), wk = 0.0035714 k( 274) = ( 0.3333333 0.5773503 0.1935536), wk = 0.0035714 k( 275) = ( 0.3333333 0.5773503 0.2084423), wk = 0.0035714 k( 276) = ( 0.3333333 0.5773503 0.2233311), wk = 0.0035714 k( 277) = ( 0.3333333 0.5773503 0.2382198), wk = 0.0035714 k( 278) = ( 0.3333333 0.5773503 0.2531086), wk = 0.0035714 k( 279) = ( 0.3333333 0.5773503 0.2679973), wk = 0.0035714 k( 280) = ( 0.3333333 0.5773503 0.2828860), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0035714 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0035714 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0035714 k( 5) = ( 0.0512821 0.0000000 -0.0000000), wk = 0.0035714 k( 6) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0035714 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0035714 k( 8) = ( 0.0897436 0.0000000 -0.0000000), wk = 0.0035714 k( 9) = ( 0.1025641 0.0000000 -0.0000000), wk = 0.0035714 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0035714 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0035714 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0035714 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0035714 k( 14) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0035714 k( 15) = ( 0.1794872 0.0000000 -0.0000000), wk = 0.0035714 k( 16) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0035714 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0035714 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0035714 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0035714 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0035714 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0035714 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0035714 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0035714 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0035714 k( 25) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0035714 k( 26) = ( 0.3205128 0.0000000 -0.0000000), wk = 0.0035714 k( 27) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0035714 k( 28) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0035714 k( 29) = ( 0.3589744 0.0000000 -0.0000000), wk = 0.0035714 k( 30) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0035714 k( 31) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0035714 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0035714 k( 33) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0035714 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0035714 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0035714 k( 36) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0035714 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0035714 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0035714 k( 39) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0035714 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 42) = ( 0.4927536 0.0144928 -0.0000000), wk = 0.0035714 k( 43) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0035714 k( 44) = ( 0.4782609 0.0434783 -0.0000000), wk = 0.0035714 k( 45) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0035714 k( 46) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0035714 k( 47) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0035714 k( 48) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0035714 k( 49) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0035714 k( 50) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0035714 k( 51) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0035714 k( 52) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0035714 k( 53) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0035714 k( 54) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0035714 k( 55) = ( 0.3985507 0.2028986 0.0000000), wk = 0.0035714 k( 56) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0035714 k( 57) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0035714 k( 58) = ( 0.3768116 0.2463768 -0.0000000), wk = 0.0035714 k( 59) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0035714 k( 60) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0035714 k( 61) = ( 0.3550725 0.2898551 -0.0000000), wk = 0.0035714 k( 62) = ( 0.3478261 0.3043478 -0.0000000), wk = 0.0035714 k( 63) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0035714 k( 64) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035714 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035714 k( 66) = ( 0.3259259 0.3259259 -0.0000000), wk = 0.0035714 k( 67) = ( 0.3185185 0.3185185 0.0000000), wk = 0.0035714 k( 68) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0035714 k( 69) = ( 0.3037037 0.3037037 0.0000000), wk = 0.0035714 k( 70) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0035714 k( 71) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0035714 k( 72) = ( 0.2814815 0.2814815 -0.0000000), wk = 0.0035714 k( 73) = ( 0.2740741 0.2740741 -0.0000000), wk = 0.0035714 k( 74) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0035714 k( 75) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0035714 k( 76) = ( 0.2518518 0.2518518 -0.0000000), wk = 0.0035714 k( 77) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0035714 k( 78) = ( 0.2370370 0.2370370 -0.0000000), wk = 0.0035714 k( 79) = ( 0.2296296 0.2296296 0.0000000), wk = 0.0035714 k( 80) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0035714 k( 81) = ( 0.2148148 0.2148148 -0.0000000), wk = 0.0035714 k( 82) = ( 0.2074074 0.2074074 0.0000000), wk = 0.0035714 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0035714 k( 84) = ( 0.1925926 0.1925926 -0.0000000), wk = 0.0035714 k( 85) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0035714 k( 86) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0035714 k( 87) = ( 0.1703704 0.1703704 0.0000000), wk = 0.0035714 k( 88) = ( 0.1629630 0.1629630 0.0000000), wk = 0.0035714 k( 89) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0035714 k( 90) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0035714 k( 91) = ( 0.1407407 0.1407407 -0.0000000), wk = 0.0035714 k( 92) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0035714 k( 93) = ( 0.1259259 0.1259259 0.0000000), wk = 0.0035714 k( 94) = ( 0.1185185 0.1185185 -0.0000000), wk = 0.0035714 k( 95) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0035714 k( 96) = ( 0.1037037 0.1037037 0.0000000), wk = 0.0035714 k( 97) = ( 0.0962963 0.0962963 0.0000000), wk = 0.0035714 k( 98) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0035714 k( 99) = ( 0.0814815 0.0814815 0.0000000), wk = 0.0035714 k( 100) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0035714 k( 101) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0035714 k( 102) = ( 0.0592593 0.0592593 -0.0000000), wk = 0.0035714 k( 103) = ( 0.0518518 0.0518518 0.0000000), wk = 0.0035714 k( 104) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0035714 k( 105) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0035714 k( 106) = ( 0.0296296 0.0296296 -0.0000000), wk = 0.0035714 k( 107) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0035714 k( 108) = ( 0.0148148 0.0148148 -0.0000000), wk = 0.0035714 k( 109) = ( 0.0074074 0.0074074 0.0000000), wk = 0.0035714 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 112) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0035714 k( 114) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0035714 k( 115) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0035714 k( 116) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0035714 k( 117) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0035714 k( 118) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0035714 k( 119) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0035714 k( 120) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0035714 k( 121) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0035714 k( 122) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0035714 k( 123) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0035714 k( 124) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0035714 k( 125) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0035714 k( 126) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0035714 k( 127) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0035714 k( 128) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0035714 k( 129) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0035714 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 132) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0035714 k( 133) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0035714 k( 134) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0035714 k( 135) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0035714 k( 136) = ( 0.0641026 -0.0000000 0.5000000), wk = 0.0035714 k( 137) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0035714 k( 138) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0035714 k( 139) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0035714 k( 140) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0035714 k( 141) = ( 0.1282051 -0.0000000 0.5000000), wk = 0.0035714 k( 142) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0035714 k( 143) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0035714 k( 144) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0035714 k( 145) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0035714 k( 146) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0035714 k( 147) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0035714 k( 148) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0035714 k( 149) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0035714 k( 150) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0035714 k( 151) = ( 0.2564103 -0.0000000 0.5000000), wk = 0.0035714 k( 152) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0035714 k( 153) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0035714 k( 154) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0035714 k( 155) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0035714 k( 156) = ( 0.3205128 0.0000000 0.5000000), wk = 0.0035714 k( 157) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0035714 k( 158) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0035714 k( 159) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0035714 k( 160) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0035714 k( 161) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0035714 k( 162) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0035714 k( 163) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0035714 k( 164) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0035714 k( 165) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0035714 k( 166) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0035714 k( 167) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0035714 k( 168) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0035714 k( 169) = ( 0.4871795 0.0000000 0.5000000), wk = 0.0035714 k( 170) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 172) = ( 0.4927536 0.0144928 0.5000000), wk = 0.0035714 k( 173) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0035714 k( 174) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0035714 k( 175) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0035714 k( 176) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0035714 k( 177) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0035714 k( 178) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0035714 k( 179) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0035714 k( 180) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0035714 k( 181) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0035714 k( 182) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0035714 k( 183) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0035714 k( 184) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0035714 k( 185) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0035714 k( 186) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0035714 k( 187) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0035714 k( 188) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0035714 k( 189) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0035714 k( 190) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0035714 k( 191) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0035714 k( 192) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0035714 k( 193) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0035714 k( 194) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035714 k( 195) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035714 k( 196) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0035714 k( 197) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0035714 k( 198) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0035714 k( 199) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0035714 k( 200) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0035714 k( 201) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0035714 k( 202) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0035714 k( 203) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0035714 k( 204) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0035714 k( 205) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0035714 k( 206) = ( 0.2518518 0.2518518 0.5000000), wk = 0.0035714 k( 207) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0035714 k( 208) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0035714 k( 209) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0035714 k( 210) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0035714 k( 211) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0035714 k( 212) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0035714 k( 213) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0035714 k( 214) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0035714 k( 215) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0035714 k( 216) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0035714 k( 217) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0035714 k( 218) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0035714 k( 219) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0035714 k( 220) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0035714 k( 221) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0035714 k( 222) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0035714 k( 223) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0035714 k( 224) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0035714 k( 225) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0035714 k( 226) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0035714 k( 227) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0035714 k( 228) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0035714 k( 229) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0035714 k( 230) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0035714 k( 231) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0035714 k( 232) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0035714 k( 233) = ( 0.0518518 0.0518518 0.5000000), wk = 0.0035714 k( 234) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0035714 k( 235) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0035714 k( 236) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0035714 k( 237) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0035714 k( 238) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0035714 k( 239) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0035714 k( 240) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 241) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 242) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0035714 k( 243) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0035714 k( 244) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0035714 k( 245) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0035714 k( 246) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0035714 k( 247) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0035714 k( 248) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0035714 k( 249) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0035714 k( 250) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0035714 k( 251) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0035714 k( 252) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0035714 k( 253) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0035714 k( 254) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0035714 k( 255) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0035714 k( 256) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0035714 k( 257) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0035714 k( 258) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0035714 k( 259) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0035714 k( 260) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 261) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035714 k( 262) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0035714 k( 263) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0035714 k( 264) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0035714 k( 265) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0035714 k( 266) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0035714 k( 267) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0035714 k( 268) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0035714 k( 269) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0035714 k( 270) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0035714 k( 271) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0035714 k( 272) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0035714 k( 273) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0035714 k( 274) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0035714 k( 275) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0035714 k( 276) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0035714 k( 277) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0035714 k( 278) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0035714 k( 279) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0035714 k( 280) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035714 Dense grid: 151457 G-vectors FFT dimensions: ( 60, 60, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.60 Mb ( 1090, 36) NL pseudopotentials 1.26 Mb ( 545, 152) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 4210) G-vector shells 0.01 Mb ( 1759) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.40 Mb ( 1090, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.17 Mb ( 152, 2, 36) The potential is recalculated from file : ./Li3Sb.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 9.1 secs Computing kpt #: 8 total cpu time spent up to now is 10.1 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.1 secs Computing kpt #: 11 total cpu time spent up to now is 13.2 secs Computing kpt #: 12 total cpu time spent up to now is 14.4 secs Computing kpt #: 13 total cpu time spent up to now is 15.3 secs Computing kpt #: 14 total cpu time spent up to now is 16.1 secs Computing kpt #: 15 total cpu time spent up to now is 16.9 secs Computing kpt #: 16 total cpu time spent up to now is 17.7 secs Computing kpt #: 17 total cpu time spent up to now is 18.5 secs Computing kpt #: 18 total cpu time spent up to now is 19.3 secs Computing kpt #: 19 total cpu time spent up to now is 20.1 secs Computing kpt #: 20 total cpu time spent up to now is 20.8 secs Computing kpt #: 21 total cpu time spent up to now is 21.6 secs Computing kpt #: 22 total cpu time spent up to now is 22.4 secs Computing kpt #: 23 total cpu time spent up to now is 23.2 secs Computing kpt #: 24 total cpu time spent up to now is 24.1 secs Computing kpt #: 25 total cpu time spent up to now is 25.0 secs Computing kpt #: 26 total cpu time spent up to now is 25.8 secs Computing kpt #: 27 total cpu time spent up to now is 26.6 secs Computing kpt #: 28 total cpu time spent up to now is 27.4 secs Computing kpt #: 29 total cpu time spent up to now is 28.1 secs Computing kpt #: 30 total cpu time spent up to now is 28.9 secs Computing kpt #: 31 total cpu time spent up to now is 29.7 secs Computing kpt #: 32 total cpu time spent up to now is 30.4 secs Computing kpt #: 33 total cpu time spent up to now is 31.2 secs Computing kpt #: 34 total cpu time spent up to now is 32.0 secs Computing kpt #: 35 total cpu time spent up to now is 32.7 secs Computing kpt #: 36 total cpu time spent up to now is 33.5 secs Computing kpt #: 37 total cpu time spent up to now is 34.3 secs Computing kpt #: 38 total cpu time spent up to now is 35.1 secs Computing kpt #: 39 total cpu time spent up to now is 35.8 secs Computing kpt #: 40 total cpu time spent up to now is 36.6 secs Computing kpt #: 41 total cpu time spent up to now is 37.3 secs Computing kpt #: 42 total cpu time spent up to now is 38.1 secs Computing kpt #: 43 total cpu time spent up to now is 38.9 secs Computing kpt #: 44 total cpu time spent up to now is 39.6 secs Computing kpt #: 45 total cpu time spent up to now is 40.4 secs Computing kpt #: 46 total cpu time spent up to now is 41.1 secs Computing kpt #: 47 total cpu time spent up to now is 41.9 secs Computing kpt #: 48 total cpu time spent up to now is 42.7 secs Computing kpt #: 49 total cpu time spent up to now is 43.5 secs Computing kpt #: 50 total cpu time spent up to now is 44.2 secs Computing kpt #: 51 total cpu time spent up to now is 45.0 secs Computing kpt #: 52 total cpu time spent up to now is 45.8 secs Computing kpt #: 53 total cpu time spent up to now is 46.6 secs Computing kpt #: 54 total cpu time spent up to now is 47.4 secs Computing kpt #: 55 total cpu time spent up to now is 48.2 secs Computing kpt #: 56 total cpu time spent up to now is 49.0 secs Computing kpt #: 57 total cpu time spent up to now is 49.8 secs Computing kpt #: 58 total cpu time spent up to now is 50.8 secs Computing kpt #: 59 total cpu time spent up to now is 51.8 secs Computing kpt #: 60 total cpu time spent up to now is 52.8 secs Computing kpt #: 61 total cpu time spent up to now is 53.8 secs Computing kpt #: 62 total cpu time spent up to now is 54.9 secs Computing kpt #: 63 total cpu time spent up to now is 56.1 secs Computing kpt #: 64 total cpu time spent up to now is 57.1 secs Computing kpt #: 65 total cpu time spent up to now is 58.0 secs Computing kpt #: 66 total cpu time spent up to now is 59.3 secs Computing kpt #: 67 total cpu time spent up to now is 60.3 secs Computing kpt #: 68 total cpu time spent up to now is 61.4 secs Computing kpt #: 69 total cpu time spent up to now is 62.4 secs Computing kpt #: 70 total cpu time spent up to now is 63.4 secs Computing kpt #: 71 total cpu time spent up to now is 64.4 secs Computing kpt #: 72 total cpu time spent up to now is 65.4 secs Computing kpt #: 73 total cpu time spent up to now is 66.3 secs Computing kpt #: 74 total cpu time spent up to now is 67.3 secs Computing kpt #: 75 total cpu time spent up to now is 68.3 secs Computing kpt #: 76 total cpu time spent up to now is 69.2 secs Computing kpt #: 77 total cpu time spent up to now is 70.2 secs Computing kpt #: 78 total cpu time spent up to now is 71.1 secs Computing kpt #: 79 total cpu time spent up to now is 71.9 secs Computing kpt #: 80 total cpu time spent up to now is 73.0 secs Computing kpt #: 81 total cpu time spent up to now is 73.9 secs Computing kpt #: 82 total cpu time spent up to now is 74.7 secs Computing kpt #: 83 total cpu time spent up to now is 75.5 secs Computing kpt #: 84 total cpu time spent up to now is 76.4 secs Computing kpt #: 85 total cpu time spent up to now is 77.3 secs Computing kpt #: 86 total cpu time spent up to now is 78.2 secs Computing kpt #: 87 total cpu time spent up to now is 79.2 secs Computing kpt #: 88 total cpu time spent up to now is 80.1 secs Computing kpt #: 89 total cpu time spent up to now is 81.1 secs Computing kpt #: 90 total cpu time spent up to now is 81.9 secs Computing kpt #: 91 total cpu time spent up to now is 82.7 secs Computing kpt #: 92 total cpu time spent up to now is 83.6 secs Computing kpt #: 93 total cpu time spent up to now is 84.4 secs Computing kpt #: 94 total cpu time spent up to now is 85.2 secs Computing kpt #: 95 total cpu time spent up to now is 86.0 secs Computing kpt #: 96 total cpu time spent up to now is 86.8 secs Computing kpt #: 97 total cpu time spent up to now is 87.6 secs Computing kpt #: 98 total cpu time spent up to now is 88.5 secs Computing kpt #: 99 total cpu time spent up to now is 89.8 secs Computing kpt #: 100 total cpu time spent up to now is 90.8 secs Computing kpt #: 101 total cpu time spent up to now is 91.8 secs Computing kpt #: 102 total cpu time spent up to now is 92.9 secs Computing kpt #: 103 total cpu time spent up to now is 93.8 secs Computing kpt #: 104 total cpu time spent up to now is 94.8 secs Computing kpt #: 105 total cpu time spent up to now is 95.7 secs Computing kpt #: 106 total cpu time spent up to now is 97.0 secs Computing kpt #: 107 total cpu time spent up to now is 98.3 secs Computing kpt #: 108 total cpu time spent up to now is 99.3 secs Computing kpt #: 109 total cpu time spent up to now is 100.3 secs Computing kpt #: 110 total cpu time spent up to now is 101.3 secs Computing kpt #: 111 total cpu time spent up to now is 102.9 secs Computing kpt #: 112 total cpu time spent up to now is 103.9 secs Computing kpt #: 113 total cpu time spent up to now is 105.0 secs Computing kpt #: 114 total cpu time spent up to now is 106.0 secs Computing kpt #: 115 total cpu time spent up to now is 107.0 secs Computing kpt #: 116 total cpu time spent up to now is 108.0 secs Computing kpt #: 117 total cpu time spent up to now is 109.0 secs Computing kpt #: 118 total cpu time spent up to now is 110.0 secs Computing kpt #: 119 total cpu time spent up to now is 111.0 secs Computing kpt #: 120 total cpu time spent up to now is 111.9 secs Computing kpt #: 121 total cpu time spent up to now is 112.9 secs Computing kpt #: 122 total cpu time spent up to now is 113.8 secs Computing kpt #: 123 total cpu time spent up to now is 114.8 secs Computing kpt #: 124 total cpu time spent up to now is 115.8 secs Computing kpt #: 125 total cpu time spent up to now is 116.8 secs Computing kpt #: 126 total cpu time spent up to now is 117.8 secs Computing kpt #: 127 total cpu time spent up to now is 118.7 secs Computing kpt #: 128 total cpu time spent up to now is 119.7 secs Computing kpt #: 129 total cpu time spent up to now is 120.6 secs Computing kpt #: 130 total cpu time spent up to now is 121.6 secs Computing kpt #: 131 total cpu time spent up to now is 122.5 secs Computing kpt #: 132 total cpu time spent up to now is 123.5 secs Computing kpt #: 133 total cpu time spent up to now is 124.3 secs Computing kpt #: 134 total cpu time spent up to now is 125.1 secs Computing kpt #: 135 total cpu time spent up to now is 126.0 secs Computing kpt #: 136 total cpu time spent up to now is 126.8 secs Computing kpt #: 137 total cpu time spent up to now is 127.6 secs Computing kpt #: 138 total cpu time spent up to now is 128.5 secs Computing kpt #: 139 total cpu time spent up to now is 129.4 secs Computing kpt #: 140 total cpu time spent up to now is 130.3 secs Computing kpt #: 141 total cpu time spent up to now is 131.3 secs Computing kpt #: 142 total cpu time spent up to now is 132.1 secs Computing kpt #: 143 total cpu time spent up to now is 132.9 secs Computing kpt #: 144 total cpu time spent up to now is 133.8 secs Computing kpt #: 145 total cpu time spent up to now is 134.6 secs Computing kpt #: 146 total cpu time spent up to now is 135.4 secs Computing kpt #: 147 total cpu time spent up to now is 136.2 secs Computing kpt #: 148 total cpu time spent up to now is 137.0 secs Computing kpt #: 149 total cpu time spent up to now is 137.7 secs Computing kpt #: 150 total cpu time spent up to now is 138.5 secs Computing kpt #: 151 total cpu time spent up to now is 139.2 secs Computing kpt #: 152 total cpu time spent up to now is 139.9 secs Computing kpt #: 153 total cpu time spent up to now is 140.7 secs Computing kpt #: 154 total cpu time spent up to now is 141.4 secs Computing kpt #: 155 total cpu time spent up to now is 142.1 secs Computing kpt #: 156 total cpu time spent up to now is 142.9 secs Computing kpt #: 157 total cpu time spent up to now is 143.6 secs Computing kpt #: 158 total cpu time spent up to now is 144.3 secs Computing kpt #: 159 total cpu time spent up to now is 145.0 secs Computing kpt #: 160 total cpu time spent up to now is 145.7 secs Computing kpt #: 161 total cpu time spent up to now is 146.4 secs Computing kpt #: 162 total cpu time spent up to now is 147.1 secs Computing kpt #: 163 total cpu time spent up to now is 147.8 secs Computing kpt #: 164 total cpu time spent up to now is 148.5 secs Computing kpt #: 165 total cpu time spent up to now is 149.2 secs Computing kpt #: 166 total cpu time spent up to now is 149.9 secs Computing kpt #: 167 total cpu time spent up to now is 150.6 secs Computing kpt #: 168 total cpu time spent up to now is 151.3 secs Computing kpt #: 169 total cpu time spent up to now is 152.0 secs Computing kpt #: 170 total cpu time spent up to now is 152.7 secs Computing kpt #: 171 total cpu time spent up to now is 153.4 secs Computing kpt #: 172 total cpu time spent up to now is 154.1 secs Computing kpt #: 173 total cpu time spent up to now is 154.8 secs Computing kpt #: 174 total cpu time spent up to now is 155.5 secs Computing kpt #: 175 total cpu time spent up to now is 156.2 secs Computing kpt #: 176 total cpu time spent up to now is 156.9 secs Computing kpt #: 177 total cpu time spent up to now is 157.7 secs Computing kpt #: 178 total cpu time spent up to now is 158.4 secs Computing kpt #: 179 total cpu time spent up to now is 159.2 secs Computing kpt #: 180 total cpu time spent up to now is 160.0 secs Computing kpt #: 181 total cpu time spent up to now is 160.8 secs Computing kpt #: 182 total cpu time spent up to now is 161.6 secs Computing kpt #: 183 total cpu time spent up to now is 162.4 secs Computing kpt #: 184 total cpu time spent up to now is 163.1 secs Computing kpt #: 185 total cpu time spent up to now is 163.9 secs Computing kpt #: 186 total cpu time spent up to now is 164.6 secs Computing kpt #: 187 total cpu time spent up to now is 165.3 secs Computing kpt #: 188 total cpu time spent up to now is 166.0 secs Computing kpt #: 189 total cpu time spent up to now is 166.7 secs Computing kpt #: 190 total cpu time spent up to now is 167.4 secs Computing kpt #: 191 total cpu time spent up to now is 168.1 secs Computing kpt #: 192 total cpu time spent up to now is 168.8 secs Computing kpt #: 193 total cpu time spent up to now is 169.4 secs Computing kpt #: 194 total cpu time spent up to now is 170.1 secs Computing kpt #: 195 total cpu time spent up to now is 170.8 secs Computing kpt #: 196 total cpu time spent up to now is 171.4 secs Computing kpt #: 197 total cpu time spent up to now is 172.1 secs Computing kpt #: 198 total cpu time spent up to now is 172.8 secs Computing kpt #: 199 total cpu time spent up to now is 173.4 secs Computing kpt #: 200 total cpu time spent up to now is 174.1 secs Computing kpt #: 201 total cpu time spent up to now is 174.8 secs Computing kpt #: 202 total cpu time spent up to now is 175.5 secs Computing kpt #: 203 total cpu time spent up to now is 176.2 secs Computing kpt #: 204 total cpu time spent up to now is 176.9 secs Computing kpt #: 205 total cpu time spent up to now is 178.9 secs Computing kpt #: 206 total cpu time spent up to now is 179.7 secs Computing kpt #: 207 total cpu time spent up to now is 180.4 secs Computing kpt #: 208 total cpu time spent up to now is 181.2 secs Computing kpt #: 209 total cpu time spent up to now is 181.9 secs Computing kpt #: 210 total cpu time spent up to now is 182.6 secs Computing kpt #: 211 total cpu time spent up to now is 183.4 secs Computing kpt #: 212 total cpu time spent up to now is 184.1 secs Computing kpt #: 213 total cpu time spent up to now is 184.9 secs Computing kpt #: 214 total cpu time spent up to now is 185.6 secs Computing kpt #: 215 total cpu time spent up to now is 186.4 secs Computing kpt #: 216 total cpu time spent up to now is 187.1 secs Computing kpt #: 217 total cpu time spent up to now is 187.9 secs Computing kpt #: 218 total cpu time spent up to now is 188.6 secs Computing kpt #: 219 total cpu time spent up to now is 189.4 secs Computing kpt #: 220 total cpu time spent up to now is 190.1 secs Computing kpt #: 221 total cpu time spent up to now is 190.9 secs Computing kpt #: 222 total cpu time spent up to now is 191.7 secs Computing kpt #: 223 total cpu time spent up to now is 192.4 secs Computing kpt #: 224 total cpu time spent up to now is 193.2 secs Computing kpt #: 225 total cpu time spent up to now is 194.0 secs Computing kpt #: 226 total cpu time spent up to now is 194.8 secs Computing kpt #: 227 total cpu time spent up to now is 195.6 secs Computing kpt #: 228 total cpu time spent up to now is 196.4 secs Computing kpt #: 229 total cpu time spent up to now is 197.2 secs Computing kpt #: 230 total cpu time spent up to now is 198.0 secs Computing kpt #: 231 total cpu time spent up to now is 198.8 secs Computing kpt #: 232 total cpu time spent up to now is 199.6 secs Computing kpt #: 233 total cpu time spent up to now is 200.5 secs Computing kpt #: 234 total cpu time spent up to now is 201.3 secs Computing kpt #: 235 total cpu time spent up to now is 202.1 secs Computing kpt #: 236 total cpu time spent up to now is 203.0 secs Computing kpt #: 237 total cpu time spent up to now is 203.8 secs Computing kpt #: 238 total cpu time spent up to now is 204.6 secs Computing kpt #: 239 total cpu time spent up to now is 205.5 secs Computing kpt #: 240 total cpu time spent up to now is 206.5 secs Computing kpt #: 241 total cpu time spent up to now is 207.2 secs Computing kpt #: 242 total cpu time spent up to now is 207.9 secs Computing kpt #: 243 total cpu time spent up to now is 208.6 secs Computing kpt #: 244 total cpu time spent up to now is 209.3 secs Computing kpt #: 245 total cpu time spent up to now is 210.0 secs Computing kpt #: 246 total cpu time spent up to now is 210.7 secs Computing kpt #: 247 total cpu time spent up to now is 211.5 secs Computing kpt #: 248 total cpu time spent up to now is 212.2 secs Computing kpt #: 249 total cpu time spent up to now is 213.0 secs Computing kpt #: 250 total cpu time spent up to now is 213.8 secs Computing kpt #: 251 total cpu time spent up to now is 214.6 secs Computing kpt #: 252 total cpu time spent up to now is 215.4 secs Computing kpt #: 253 total cpu time spent up to now is 216.1 secs Computing kpt #: 254 total cpu time spent up to now is 216.9 secs Computing kpt #: 255 total cpu time spent up to now is 217.7 secs Computing kpt #: 256 total cpu time spent up to now is 218.5 secs Computing kpt #: 257 total cpu time spent up to now is 219.3 secs Computing kpt #: 258 total cpu time spent up to now is 220.1 secs Computing kpt #: 259 total cpu time spent up to now is 220.8 secs Computing kpt #: 260 total cpu time spent up to now is 221.6 secs Computing kpt #: 261 total cpu time spent up to now is 222.6 secs Computing kpt #: 262 total cpu time spent up to now is 223.6 secs Computing kpt #: 263 total cpu time spent up to now is 224.6 secs Computing kpt #: 264 total cpu time spent up to now is 225.4 secs Computing kpt #: 265 total cpu time spent up to now is 226.2 secs Computing kpt #: 266 total cpu time spent up to now is 227.0 secs Computing kpt #: 267 total cpu time spent up to now is 227.7 secs Computing kpt #: 268 total cpu time spent up to now is 228.5 secs Computing kpt #: 269 total cpu time spent up to now is 229.2 secs Computing kpt #: 270 total cpu time spent up to now is 229.9 secs Computing kpt #: 271 total cpu time spent up to now is 230.6 secs Computing kpt #: 272 total cpu time spent up to now is 231.3 secs Computing kpt #: 273 total cpu time spent up to now is 232.0 secs Computing kpt #: 274 total cpu time spent up to now is 232.7 secs Computing kpt #: 275 total cpu time spent up to now is 233.3 secs Computing kpt #: 276 total cpu time spent up to now is 234.0 secs Computing kpt #: 277 total cpu time spent up to now is 234.7 secs Computing kpt #: 278 total cpu time spent up to now is 235.3 secs Computing kpt #: 279 total cpu time spent up to now is 236.0 secs Computing kpt #: 280 total cpu time spent up to now is 236.7 secs ethr = 3.57E-08, avg # of iterations = 19.9 total cpu time spent up to now is 236.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 18993 PWs) bands (ev): -43.1896 -43.1896 -43.1807 -43.1807 -43.1799 -43.1799 -43.1710 -43.1710 -42.9774 -42.9774 -42.9774 -42.9774 -5.8231 -5.8231 -5.4450 -5.4450 -0.2938 -0.2938 2.2911 2.2911 2.3618 2.3618 2.7247 2.7247 2.9385 2.9385 3.1986 3.1986 4.8171 4.8171 5.9028 5.9028 6.0140 6.0140 6.0967 6.0969 k = 0.0128 0.0074-0.0000 ( 18993 PWs) bands (ev): -43.1896 -43.1896 -43.1807 -43.1807 -43.1799 -43.1799 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8225 -5.8225 -5.4445 -5.4445 -0.2928 -0.2928 2.2895 2.2895 2.3565 2.3565 2.7170 2.7170 2.9366 2.9366 3.1923 3.1923 4.8237 4.8237 5.8922 5.8922 6.0183 6.0183 6.1005 6.1005 k = 0.0256 0.0148-0.0000 ( 18989 PWs) bands (ev): -43.1896 -43.1896 -43.1807 -43.1807 -43.1799 -43.1799 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8206 -5.8206 -5.4431 -5.4431 -0.2895 -0.2895 2.2844 2.2844 2.3405 2.3405 2.6950 2.6950 2.9296 2.9296 3.1746 3.1746 4.8426 4.8426 5.8683 5.8683 6.0288 6.0288 6.1086 6.1086 k = 0.0385 0.0222-0.0000 ( 18995 PWs) bands (ev): -43.1896 -43.1896 -43.1806 -43.1806 -43.1799 -43.1799 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8173 -5.8173 -5.4408 -5.4408 -0.2841 -0.2841 2.2751 2.2751 2.3141 2.3141 2.6619 2.6619 2.9149 2.9149 3.1483 3.1483 4.8716 4.8716 5.8417 5.8417 6.0425 6.0425 6.1231 6.1231 k = 0.0513 0.0296-0.0000 ( 18979 PWs) bands (ev): -43.1896 -43.1896 -43.1806 -43.1806 -43.1799 -43.1799 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8129 -5.8129 -5.4376 -5.4376 -0.2765 -0.2765 2.2583 2.2583 2.2798 2.2798 2.6212 2.6212 2.8893 2.8893 3.1177 3.1177 4.9074 4.9074 5.8177 5.8177 6.0574 6.0574 6.1453 6.1453 k = 0.0641 0.0370-0.0000 ( 18975 PWs) bands (ev): -43.1895 -43.1895 -43.1806 -43.1806 -43.1800 -43.1800 -43.1711 -43.1711 -42.9775 -42.9775 -42.9774 -42.9774 -5.8071 -5.8071 -5.4335 -5.4335 -0.2668 -0.2668 2.2194 2.2194 2.2512 2.2512 2.5770 2.5770 2.8506 2.8506 3.0868 3.0868 4.9467 4.9467 5.7986 5.7986 6.0718 6.0718 6.1762 6.1762 k = 0.0769 0.0444-0.0000 ( 18975 PWs) bands (ev): -43.1895 -43.1895 -43.1805 -43.1805 -43.1800 -43.1800 -43.1712 -43.1712 -42.9775 -42.9775 -42.9774 -42.9774 -5.8001 -5.8001 -5.4285 -5.4285 -0.2549 -0.2549 2.1601 2.1601 2.2257 2.2257 2.5325 2.5325 2.7990 2.7990 3.0576 3.0576 4.9859 4.9859 5.7856 5.7856 6.0849 6.0849 6.2164 6.2164 k = 0.0897 0.0518-0.0000 ( 18981 PWs) bands (ev): -43.1895 -43.1895 -43.1805 -43.1805 -43.1800 -43.1800 -43.1712 -43.1712 -42.9775 -42.9775 -42.9774 -42.9774 -5.7919 -5.7919 -5.4227 -5.4227 -0.2409 -0.2409 2.0887 2.0887 2.1947 2.1947 2.4900 2.4900 2.7372 2.7372 3.0298 3.0298 5.0223 5.0223 5.7792 5.7792 6.0966 6.0966 6.2662 6.2662 k = 0.1026 0.0592-0.0000 ( 18975 PWs) bands (ev): -43.1894 -43.1894 -43.1805 -43.1805 -43.1801 -43.1801 -43.1713 -43.1713 -42.9775 -42.9775 -42.9774 -42.9774 -5.7825 -5.7825 -5.4160 -5.4160 -0.2248 -0.2248 2.0075 2.0075 2.1568 2.1568 2.4498 2.4498 2.6697 2.6697 3.0024 3.0024 5.0538 5.0538 5.7797 5.7797 6.1070 6.1070 6.3255 6.3255 k = 0.1154 0.0666-0.0000 ( 18985 PWs) bands (ev): -43.1893 -43.1893 -43.1804 -43.1804 -43.1802 -43.1802 -43.1713 -43.1713 -42.9775 -42.9775 -42.9774 -42.9774 -5.7719 -5.7719 -5.4086 -5.4086 -0.2066 -0.2066 1.9182 1.9182 2.1119 2.1119 2.4100 2.4100 2.6011 2.6011 2.9745 2.9745 5.0792 5.0792 5.7869 5.7869 6.1167 6.1167 6.3941 6.3941 k = 0.1282 0.0740-0.0000 ( 18973 PWs) bands (ev): -43.1893 -43.1893 -43.1803 -43.1803 -43.1802 -43.1802 -43.1714 -43.1714 -42.9775 -42.9775 -42.9774 -42.9774 -5.7602 -5.7602 -5.4005 -5.4005 -0.1863 -0.1863 1.8229 1.8229 2.0604 2.0604 2.3666 2.3666 2.5373 2.5373 2.9453 2.9453 5.0982 5.0982 5.8000 5.8000 6.1262 6.1262 6.4717 6.4717 k = 0.1410 0.0814-0.0000 ( 18969 PWs) bands (ev): -43.1892 -43.1892 -43.1803 -43.1803 -43.1802 -43.1802 -43.1714 -43.1714 -42.9775 -42.9775 -42.9774 -42.9774 -5.7475 -5.7475 -5.3917 -5.3917 -0.1639 -0.1639 1.7231 1.7231 2.0029 2.0029 2.3150 2.3150 2.4838 2.4838 2.9148 2.9148 5.1111 5.1111 5.8181 5.8181 6.1358 6.1358 6.5545 6.5545 k = 0.1538 0.0888-0.0000 ( 18963 PWs) bands (ev): -43.1891 -43.1891 -43.1803 -43.1803 -43.1802 -43.1802 -43.1715 -43.1715 -42.9775 -42.9775 -42.9774 -42.9774 -5.7336 -5.7336 -5.3823 -5.3823 -0.1395 -0.1395 1.6204 1.6204 1.9398 1.9398 2.2544 2.2544 2.4422 2.4422 2.8829 2.8829 5.1187 5.1187 5.8399 5.8399 6.1462 6.1462 6.4649 6.4649 k = 0.1667 0.0962-0.0000 ( 18955 PWs) bands (ev): -43.1890 -43.1890 -43.1804 -43.1804 -43.1801 -43.1801 -43.1716 -43.1716 -42.9775 -42.9775 -42.9774 -42.9774 -5.7188 -5.7188 -5.3723 -5.3723 -0.1130 -0.1130 1.5160 1.5160 1.8714 1.8714 2.1881 2.1881 2.4096 2.4096 2.8498 2.8498 5.1220 5.1220 5.8640 5.8640 6.1574 6.1574 6.3394 6.3394 k = 0.1795 0.1036-0.0000 ( 18933 PWs) bands (ev): -43.1889 -43.1889 -43.1805 -43.1805 -43.1800 -43.1800 -43.1717 -43.1717 -42.9775 -42.9775 -42.9774 -42.9774 -5.7030 -5.7030 -5.3618 -5.3618 -0.0846 -0.0846 1.4109 1.4109 1.7982 1.7982 2.1204 2.1204 2.3821 2.3821 2.8156 2.8156 5.1218 5.1218 5.8891 5.8891 6.1673 6.1673 6.2193 6.2193 k = 0.1923 0.1110-0.0000 ( 18943 PWs) bands (ev): -43.1888 -43.1888 -43.1806 -43.1806 -43.1799 -43.1799 -43.1718 -43.1718 -42.9775 -42.9775 -42.9774 -42.9774 -5.6864 -5.6864 -5.3509 -5.3509 -0.0543 -0.0543 1.3060 1.3060 1.7209 1.7209 2.0542 2.0542 2.3569 2.3569 2.7808 2.7808 5.1192 5.1192 5.9139 5.9139 6.0910 6.0910 6.1909 6.1909 k = 0.2051 0.1184-0.0000 ( 18953 PWs) bands (ev): -43.1887 -43.1887 -43.1807 -43.1807 -43.1798 -43.1798 -43.1719 -43.1719 -42.9775 -42.9775 -42.9774 -42.9774 -5.6689 -5.6689 -5.3396 -5.3396 -0.0221 -0.0221 1.2020 1.2020 1.6402 1.6402 1.9906 1.9906 2.3326 2.3326 2.7454 2.7454 5.1147 5.1147 5.9371 5.9371 5.9758 5.9758 6.2086 6.2086 k = 0.2179 0.1258-0.0000 ( 18955 PWs) bands (ev): -43.1886 -43.1886 -43.1808 -43.1808 -43.1797 -43.1797 -43.1720 -43.1720 -42.9775 -42.9775 -42.9774 -42.9774 -5.6508 -5.6508 -5.3280 -5.3280 0.0119 0.0119 1.0995 1.0995 1.5573 1.5573 1.9304 1.9304 2.3081 2.3081 2.7097 2.7097 5.1090 5.1090 5.8625 5.8625 5.9593 5.9593 6.2308 6.2308 k = 0.2308 0.1332-0.0000 ( 18953 PWs) bands (ev): -43.1885 -43.1885 -43.1809 -43.1809 -43.1796 -43.1796 -43.1721 -43.1721 -42.9775 -42.9775 -42.9774 -42.9774 -5.6319 -5.6319 -5.3163 -5.3163 0.0475 0.0475 0.9991 0.9991 1.4731 1.4731 1.8734 1.8734 2.2828 2.2828 2.6738 2.6738 5.1025 5.1025 5.7545 5.7545 5.9781 5.9781 6.2568 6.2568 k = 0.2436 0.1406-0.0000 ( 18939 PWs) bands (ev): -43.1883 -43.1883 -43.1810 -43.1810 -43.1795 -43.1795 -43.1722 -43.1722 -42.9775 -42.9775 -42.9774 -42.9774 -5.6124 -5.6124 -5.3045 -5.3045 0.0847 0.0847 0.9013 0.9013 1.3887 1.3887 1.8196 1.8196 2.2563 2.2563 2.6379 2.6379 5.0955 5.0955 5.6511 5.6511 5.9942 5.9942 6.2866 6.2866 k = 0.2564 0.1480-0.0000 ( 18941 PWs) bands (ev): -43.1882 -43.1882 -43.1811 -43.1811 -43.1794 -43.1794 -43.1723 -43.1723 -42.9775 -42.9775 -42.9774 -42.9774 -5.5925 -5.5925 -5.2927 -5.2927 0.1232 0.1232 0.8065 0.8065 1.3050 1.3050 1.7689 1.7689 2.2285 2.2285 2.6022 2.6022 5.0883 5.0883 5.5529 5.5529 6.0076 6.0076 6.3197 6.3197 k = 0.2692 0.1554-0.0000 ( 18953 PWs) bands (ev): -43.1881 -43.1881 -43.1812 -43.1812 -43.1792 -43.1792 -43.1724 -43.1724 -42.9775 -42.9775 -42.9774 -42.9774 -5.5722 -5.5722 -5.2809 -5.2809 0.1627 0.1627 0.7155 0.7155 1.2227 1.2227 1.7210 1.7210 2.1992 2.1992 2.5666 2.5666 5.0811 5.0811 5.4600 5.4600 6.0186 6.0186 6.3557 6.3557 k = 0.2821 0.1628-0.0000 ( 18937 PWs) bands (ev): -43.1879 -43.1879 -43.1813 -43.1813 -43.1791 -43.1791 -43.1725 -43.1725 -42.9775 -42.9775 -42.9774 -42.9774 -5.5516 -5.5516 -5.2694 -5.2694 0.2024 0.2024 0.6290 0.6290 1.1427 1.1427 1.6759 1.6759 2.1682 2.1682 2.5314 2.5314 5.0739 5.0739 5.3727 5.3727 6.0277 6.0277 6.3936 6.3936 k = 0.2949 0.1702-0.0000 ( 18935 PWs) bands (ev): -43.1878 -43.1878 -43.1814 -43.1814 -43.1790 -43.1790 -43.1727 -43.1727 -42.9775 -42.9775 -42.9774 -42.9774 -5.5308 -5.5308 -5.2581 -5.2581 0.2408 0.2408 0.5487 0.5487 1.0654 1.0654 1.6335 1.6335 2.1354 2.1354 2.4966 2.4966 5.0670 5.0670 5.2910 5.2910 6.0351 6.0351 6.3923 6.3923 k = 0.3077 0.1776-0.0000 ( 18929 PWs) bands (ev): -43.1877 -43.1877 -43.1815 -43.1815 -43.1789 -43.1789 -43.1728 -43.1728 -42.9775 -42.9775 -42.9774 -42.9774 -5.5099 -5.5099 -5.2473 -5.2473 0.2734 0.2734 0.4790 0.4790 0.9917 0.9917 1.5937 1.5937 2.1008 2.1008 2.4625 2.4625 5.0602 5.0602 5.2152 5.2152 6.0412 6.0412 6.3527 6.3527 k = 0.3205 0.1850-0.0000 ( 18943 PWs) bands (ev): -43.1875 -43.1875 -43.1817 -43.1817 -43.1787 -43.1787 -43.1729 -43.1729 -42.9775 -42.9775 -42.9774 -42.9774 -5.4891 -5.4891 -5.2370 -5.2370 0.2855 0.2855 0.4344 0.4344 0.9223 0.9223 1.5565 1.5565 2.0642 2.0642 2.4291 2.4291 5.0536 5.0536 5.1454 5.1454 6.0463 6.0463 6.3150 6.3150 k = 0.3333 0.1925-0.0000 ( 18941 PWs) bands (ev): -43.1874 -43.1874 -43.1818 -43.1818 -43.1786 -43.1786 -43.1730 -43.1730 -42.9775 -42.9775 -42.9774 -42.9774 -5.4685 -5.4685 -5.2272 -5.2272 0.2569 0.2569 0.4345 0.4345 0.8582 0.8582 1.5219 1.5219 2.0256 2.0256 2.3968 2.3968 5.0461 5.0461 5.0827 5.0827 6.0505 6.0505 6.2797 6.2797 k = 0.3462 0.1999-0.0000 ( 18943 PWs) bands (ev): -43.1872 -43.1872 -43.1819 -43.1819 -43.1785 -43.1785 -43.1732 -43.1732 -42.9775 -42.9775 -42.9774 -42.9774 -5.4482 -5.4482 -5.2182 -5.2182 0.2041 0.2041 0.4614 0.4614 0.8013 0.8013 1.4900 1.4900 1.9849 1.9849 2.3659 2.3659 5.0179 5.0179 5.0469 5.0469 6.0539 6.0539 6.2469 6.2469 k = 0.3590 0.2073-0.0000 ( 18955 PWs) bands (ev): -43.1871 -43.1871 -43.1820 -43.1820 -43.1783 -43.1783 -43.1733 -43.1733 -42.9775 -42.9775 -42.9775 -42.9775 -5.4284 -5.4284 -5.2100 -5.2100 0.1467 0.1467 0.4921 0.4921 0.7551 0.7551 1.4607 1.4607 1.9421 1.9421 2.3366 2.3366 4.9672 4.9672 5.0397 5.0397 6.0568 6.0568 6.2166 6.2166 k = 0.3718 0.2147-0.0000 ( 18957 PWs) bands (ev): -43.1870 -43.1870 -43.1821 -43.1821 -43.1782 -43.1782 -43.1734 -43.1734 -42.9775 -42.9775 -42.9775 -42.9775 -5.4093 -5.4093 -5.2026 -5.2026 0.0911 0.0911 0.5134 0.5134 0.7268 0.7268 1.4341 1.4341 1.8973 1.8973 2.3092 2.3092 4.9201 4.9201 5.0347 5.0347 6.0592 6.0592 6.1889 6.1889 k = 0.3846 0.2221-0.0000 ( 18967 PWs) bands (ev): -43.1868 -43.1868 -43.1823 -43.1823 -43.1781 -43.1781 -43.1735 -43.1735 -42.9776 -42.9776 -42.9775 -42.9775 -5.3909 -5.3909 -5.1961 -5.1961 0.0390 0.0390 0.5147 0.5147 0.7252 0.7252 1.4103 1.4103 1.8505 1.8505 2.2840 2.2840 4.8782 4.8782 5.0304 5.0304 6.0611 6.0611 6.1638 6.1638 k = 0.3974 0.2295-0.0000 ( 18969 PWs) bands (ev): -43.1867 -43.1867 -43.1824 -43.1824 -43.1780 -43.1780 -43.1737 -43.1737 -42.9776 -42.9776 -42.9775 -42.9775 -5.3735 -5.3735 -5.1905 -5.1905 -0.0085 -0.0085 0.4967 0.4967 0.7486 0.7486 1.3895 1.3895 1.8020 1.8020 2.2611 2.2611 4.8413 4.8413 5.0267 5.0267 6.0627 6.0627 6.1414 6.1414 k = 0.4103 0.2369-0.0000 ( 18957 PWs) bands (ev): -43.1866 -43.1866 -43.1825 -43.1825 -43.1779 -43.1779 -43.1738 -43.1738 -42.9776 -42.9776 -42.9775 -42.9775 -5.3574 -5.3574 -5.1860 -5.1860 -0.0510 -0.0510 0.4697 0.4697 0.7863 0.7863 1.3716 1.3716 1.7523 1.7523 2.2407 2.2407 4.8094 4.8094 5.0234 5.0234 6.0639 6.0639 6.1216 6.1216 k = 0.4231 0.2443-0.0000 ( 18929 PWs) bands (ev): -43.1865 -43.1865 -43.1826 -43.1826 -43.1778 -43.1778 -43.1739 -43.1739 -42.9776 -42.9776 -42.9775 -42.9775 -5.3426 -5.3426 -5.1824 -5.1824 -0.0883 -0.0883 0.4413 0.4413 0.8298 0.8298 1.3570 1.3570 1.7019 1.7019 2.2229 2.2229 4.7822 4.7822 5.0207 5.0207 6.0647 6.0647 6.1046 6.1046 k = 0.4359 0.2517-0.0000 ( 18940 PWs) bands (ev): -43.1864 -43.1864 -43.1827 -43.1827 -43.1777 -43.1777 -43.1740 -43.1740 -42.9776 -42.9776 -42.9775 -42.9775 -5.3294 -5.3294 -5.1796 -5.1796 -0.1201 -0.1201 0.4149 0.4149 0.8749 0.8749 1.3460 1.3460 1.6516 1.6516 2.2078 2.2078 4.7596 4.7596 5.0183 5.0183 6.0650 6.0650 6.0906 6.0906 k = 0.4487 0.2591-0.0000 ( 18928 PWs) bands (ev): -43.1863 -43.1863 -43.1827 -43.1827 -43.1776 -43.1776 -43.1740 -43.1740 -42.9776 -42.9776 -42.9775 -42.9775 -5.3181 -5.3181 -5.1777 -5.1777 -0.1463 -0.1463 0.3922 0.3922 0.9184 0.9184 1.3389 1.3389 1.6026 1.6026 2.1954 2.1954 4.7413 4.7413 5.0164 5.0164 6.0642 6.0642 6.0800 6.0800 k = 0.4615 0.2665-0.0000 ( 18948 PWs) bands (ev): -43.1862 -43.1862 -43.1828 -43.1828 -43.1775 -43.1775 -43.1741 -43.1741 -42.9776 -42.9776 -42.9775 -42.9775 -5.3089 -5.3089 -5.1765 -5.1765 -0.1668 -0.1668 0.3740 0.3740 0.9576 0.9576 1.3361 1.3361 1.5566 1.5566 2.1858 2.1858 4.7273 4.7273 5.0149 5.0149 6.0614 6.0614 6.0740 6.0740 k = 0.4744 0.2739-0.0000 ( 18948 PWs) bands (ev): -43.1862 -43.1862 -43.1829 -43.1829 -43.1775 -43.1775 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.3021 -5.3021 -5.1758 -5.1758 -0.1815 -0.1815 0.3607 0.3607 0.9893 0.9893 1.3377 1.3377 1.5166 1.5166 2.1789 2.1789 4.7174 4.7174 5.0139 5.0139 6.0573 6.0573 6.0718 6.0718 k = 0.4872 0.2813-0.0000 ( 18930 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2979 -5.2979 -5.1754 -5.1754 -0.1903 -0.1903 0.3527 0.3527 1.0103 1.0103 1.3421 1.3421 1.4874 1.4874 2.1747 2.1747 4.7114 4.7114 5.0133 5.0133 6.0541 6.0541 6.0712 6.0712 k = 0.5000 0.2887-0.0000 ( 18922 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2964 -5.2964 -5.1753 -5.1753 -0.1933 -0.1933 0.3500 0.3500 1.0176 1.0176 1.3446 1.3446 1.4762 1.4762 2.1733 2.1733 4.7095 4.7095 5.0131 5.0131 6.0530 6.0530 6.0711 6.0711 k = 0.5000 0.2887-0.0000 ( 18922 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2964 -5.2964 -5.1753 -5.1753 -0.1933 -0.1933 0.3500 0.3500 1.0176 1.0176 1.3446 1.3446 1.4762 1.4762 2.1733 2.1733 4.7095 4.7095 5.0131 5.0131 6.0530 6.0530 6.0711 6.0711 k = 0.4928 0.3012-0.0000 ( 18922 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2961 -5.2961 -5.1752 -5.1752 -0.1924 -0.1924 0.3502 0.3502 1.0178 1.0178 1.3407 1.3407 1.4766 1.4766 2.1693 2.1693 4.6995 4.6995 5.0211 5.0211 6.0626 6.0626 6.0797 6.0797 k = 0.4855 0.3138-0.0000 ( 18920 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2951 -5.2951 -5.1748 -5.1748 -0.1899 -0.1899 0.3508 0.3508 1.0184 1.0184 1.3292 1.3292 1.4779 1.4779 2.1573 2.1573 4.6705 4.6705 5.0453 5.0453 6.0897 6.0897 6.1065 6.1065 k = 0.4783 0.3263-0.0000 ( 18952 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2934 -5.2934 -5.1742 -5.1742 -0.1857 -0.1857 0.3518 0.3518 1.0189 1.0189 1.3109 1.3109 1.4799 1.4799 2.1378 2.1378 4.6250 4.6250 5.0851 5.0851 6.1301 6.1301 6.1523 6.1523 k = 0.4710 0.3389-0.0000 ( 18946 PWs) bands (ev): -43.1861 -43.1861 -43.1830 -43.1830 -43.1774 -43.1774 -43.1743 -43.1743 -42.9776 -42.9776 -42.9775 -42.9775 -5.2911 -5.2911 -5.1733 -5.1733 -0.1798 -0.1798 0.3531 0.3531 1.0189 1.0189 1.2869 1.2869 1.4826 1.4826 2.1115 2.1115 4.5664 4.5664 5.1400 5.1400 6.1829 6.1829 6.2143 6.2143 k = 0.4638 0.3514-0.0000 ( 18948 PWs) bands (ev): -43.1861 -43.1861 -43.1830 -43.1830 -43.1773 -43.1773 -43.1743 -43.1743 -42.9776 -42.9776 -42.9775 -42.9775 -5.2881 -5.2881 -5.1723 -5.1723 -0.1722 -0.1722 0.3546 0.3546 1.0171 1.0171 1.2593 1.2593 1.4858 1.4858 2.0792 2.0792 4.4980 4.4980 5.2090 5.2090 6.2477 6.2477 6.2884 6.2884 k = 0.4565 0.3640-0.0000 ( 18948 PWs) bands (ev): -43.1860 -43.1860 -43.1830 -43.1830 -43.1773 -43.1773 -43.1743 -43.1743 -42.9776 -42.9776 -42.9775 -42.9775 -5.2846 -5.2846 -5.1710 -5.1710 -0.1630 -0.1630 0.3564 0.3564 1.0117 1.0117 1.2311 1.2311 1.4893 1.4893 2.0420 2.0420 4.4227 4.4227 5.2913 5.2913 6.3239 6.3239 6.3715 6.3715 k = 0.4493 0.3765-0.0000 ( 18952 PWs) bands (ev): -43.1860 -43.1860 -43.1831 -43.1831 -43.1773 -43.1773 -43.1744 -43.1744 -42.9776 -42.9776 -42.9775 -42.9775 -5.2804 -5.2804 -5.1696 -5.1696 -0.1521 -0.1521 0.3581 0.3581 0.9998 0.9998 1.2059 1.2059 1.4929 1.4929 2.0011 2.0011 4.3430 4.3430 5.3856 5.3856 6.4097 6.4097 6.4616 6.4616 k = 0.4420 0.3891-0.0000 ( 18964 PWs) bands (ev): -43.1859 -43.1859 -43.1831 -43.1831 -43.1772 -43.1772 -43.1744 -43.1744 -42.9776 -42.9776 -42.9775 -42.9775 -5.2757 -5.2757 -5.1682 -5.1682 -0.1396 -0.1396 0.3598 0.3598 0.9784 0.9784 1.1879 1.1879 1.4962 1.4962 1.9576 1.9576 4.2608 4.2608 5.4910 5.4910 6.5029 6.5029 6.5576 6.5576 k = 0.4348 0.4016-0.0000 ( 18952 PWs) bands (ev): -43.1859 -43.1859 -43.1832 -43.1832 -43.1772 -43.1772 -43.1745 -43.1745 -42.9776 -42.9776 -42.9775 -42.9775 -5.2705 -5.2705 -5.1667 -5.1667 -0.1254 -0.1254 0.3612 0.3612 0.9465 0.9465 1.1791 1.1791 1.4986 1.4986 1.9130 1.9130 4.1776 4.1776 5.6063 5.6063 6.6007 6.6007 6.6589 6.6589 k = 0.4275 0.4142-0.0000 ( 18934 PWs) bands (ev): -43.1858 -43.1858 -43.1832 -43.1832 -43.1771 -43.1771 -43.1745 -43.1745 -42.9776 -42.9776 -42.9775 -42.9775 -5.2649 -5.2649 -5.1651 -5.1651 -0.1096 -0.1096 0.3621 0.3621 0.9058 0.9058 1.1787 1.1787 1.4998 1.4998 1.8687 1.8687 4.0948 4.0948 5.7306 5.7306 6.6998 6.6998 6.7650 6.7650 k = 0.4203 0.4267-0.0000 ( 18942 PWs) bands (ev): -43.1857 -43.1857 -43.1833 -43.1833 -43.1770 -43.1770 -43.1746 -43.1746 -42.9776 -42.9776 -42.9775 -42.9775 -5.2588 -5.2588 -5.1637 -5.1637 -0.0923 -0.0923 0.3623 0.3623 0.8595 0.8595 1.1844 1.1844 1.4989 1.4989 1.8260 1.8260 4.0135 4.0135 5.8628 5.8628 6.7979 6.7979 6.8724 6.8724 k = 0.4130 0.4393-0.0000 ( 18958 PWs) bands (ev): -43.1856 -43.1856 -43.1834 -43.1834 -43.1770 -43.1770 -43.1747 -43.1747 -42.9776 -42.9776 -42.9775 -42.9775 -5.2524 -5.2524 -5.1624 -5.1624 -0.0734 -0.0734 0.3614 0.3614 0.8102 0.8102 1.1946 1.1946 1.4952 1.4952 1.7865 1.7865 3.9345 3.9345 6.0018 6.0018 6.8939 6.8939 6.9727 6.9727 k = 0.4058 0.4518-0.0000 ( 18958 PWs) bands (ev): -43.1856 -43.1856 -43.1834 -43.1834 -43.1769 -43.1769 -43.1748 -43.1748 -42.9776 -42.9776 -42.9775 -42.9775 -5.2457 -5.2457 -5.1613 -5.1613 -0.0531 -0.0531 0.3590 0.3590 0.7601 0.7601 1.2077 1.2077 1.4881 1.4881 1.7513 1.7513 3.8589 3.8589 6.1466 6.1466 6.9870 6.9870 7.0543 7.0543 k = 0.3986 0.4644-0.0000 ( 18942 PWs) bands (ev): -43.1855 -43.1855 -43.1835 -43.1835 -43.1768 -43.1768 -43.1748 -43.1748 -42.9776 -42.9776 -42.9775 -42.9775 -5.2387 -5.2387 -5.1605 -5.1605 -0.0313 -0.0313 0.3549 0.3549 0.7107 0.7107 1.2229 1.2229 1.4775 1.4775 1.7212 1.7212 3.7875 3.7875 6.2961 6.2961 7.0744 7.0744 7.1164 7.1164 k = 0.3913 0.4769-0.0000 ( 18934 PWs) bands (ev): -43.1854 -43.1854 -43.1836 -43.1836 -43.1767 -43.1767 -43.1749 -43.1749 -42.9776 -42.9776 -42.9775 -42.9775 -5.2316 -5.2316 -5.1600 -5.1600 -0.0082 -0.0082 0.3483 0.3483 0.6634 0.6634 1.2393 1.2393 1.4640 1.4640 1.6963 1.6963 3.7210 3.7210 6.4490 6.4490 7.1407 7.1407 7.1823 7.1823 k = 0.3841 0.4895-0.0000 ( 18930 PWs) bands (ev): -43.1853 -43.1853 -43.1837 -43.1837 -43.1766 -43.1766 -43.1750 -43.1750 -42.9776 -42.9776 -42.9775 -42.9775 -5.2244 -5.2244 -5.1599 -5.1599 0.0160 0.0160 0.3390 0.3390 0.6196 0.6196 1.2560 1.2560 1.4495 1.4495 1.6754 1.6754 3.6602 3.6602 6.6038 6.6038 7.1817 7.1817 7.2637 7.2637 k = 0.3768 0.5020-0.0000 ( 18916 PWs) bands (ev): -43.1852 -43.1852 -43.1838 -43.1838 -43.1765 -43.1765 -43.1751 -43.1751 -42.9776 -42.9776 -42.9775 -42.9775 -5.2172 -5.2172 -5.1604 -5.1604 0.0413 0.0413 0.3264 0.3264 0.5802 0.5802 1.2718 1.2718 1.4365 1.4365 1.6572 1.6572 3.6060 3.6060 6.7585 6.7585 7.2153 7.2153 7.3463 7.3463 k = 0.3696 0.5146-0.0000 ( 18920 PWs) bands (ev): -43.1851 -43.1851 -43.1839 -43.1839 -43.1764 -43.1764 -43.1752 -43.1752 -42.9776 -42.9776 -42.9775 -42.9775 -5.2100 -5.2100 -5.1614 -5.1614 0.0673 0.0673 0.3106 0.3106 0.5461 0.5461 1.2850 1.2850 1.4280 1.4280 1.6399 1.6399 3.5589 3.5589 6.9103 6.9103 7.2461 7.2461 7.4268 7.4268 k = 0.3623 0.5271-0.0000 ( 18920 PWs) bands (ev): -43.1850 -43.1850 -43.1840 -43.1840 -43.1763 -43.1763 -43.1753 -43.1753 -42.9776 -42.9776 -42.9775 -42.9775 -5.2030 -5.2030 -5.1630 -5.1630 0.0936 0.0936 0.2917 0.2917 0.5177 0.5177 1.2940 1.2940 1.4268 1.4268 1.6225 1.6225 3.5197 3.5197 7.0548 7.0548 7.2751 7.2751 7.5043 7.5043 k = 0.3551 0.5397-0.0000 ( 18928 PWs) bands (ev): -43.1848 -43.1848 -43.1841 -43.1841 -43.1762 -43.1762 -43.1754 -43.1754 -42.9776 -42.9776 -42.9775 -42.9775 -5.1961 -5.1961 -5.1655 -5.1655 0.1196 0.1196 0.2710 0.2710 0.4953 0.4953 1.2983 1.2983 1.4337 1.4337 1.6043 1.6043 3.4887 3.4887 7.1853 7.1853 7.3023 7.3023 7.5781 7.5781 k = 0.3478 0.5522-0.0000 ( 18912 PWs) bands (ev): -43.1847 -43.1847 -43.1842 -43.1842 -43.1761 -43.1761 -43.1756 -43.1756 -42.9776 -42.9776 -42.9775 -42.9775 -5.1896 -5.1896 -5.1687 -5.1687 0.1439 0.1439 0.2502 0.2502 0.4787 0.4787 1.2994 1.2994 1.4465 1.4465 1.5856 1.5856 3.4664 3.4664 7.2907 7.2907 7.3273 7.3273 7.6470 7.6470 k = 0.3406 0.5648-0.0000 ( 18928 PWs) bands (ev): -43.1846 -43.1846 -43.1844 -43.1844 -43.1759 -43.1759 -43.1757 -43.1757 -42.9776 -42.9776 -42.9775 -42.9775 -5.1834 -5.1834 -5.1727 -5.1727 0.1636 0.1636 0.2326 0.2326 0.4683 0.4683 1.2994 1.2994 1.4604 1.4604 1.5689 1.5689 3.4530 3.4530 7.3492 7.3492 7.3555 7.3555 7.7091 7.7091 k = 0.3333 0.5774-0.0000 ( 18936 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1778 -5.1778 -5.1777 -5.1777 0.1719 0.1719 0.2251 0.2251 0.4646 0.4646 1.2994 1.2994 1.4672 1.4672 1.5612 1.5612 3.4486 3.4486 7.3670 7.3670 7.3670 7.3670 7.7552 7.7552 k = 0.3333 0.5774-0.0000 ( 18936 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1778 -5.1778 -5.1777 -5.1777 0.1719 0.1719 0.2251 0.2251 0.4646 0.4646 1.2994 1.2994 1.4672 1.4672 1.5612 1.5612 3.4486 3.4486 7.3670 7.3670 7.3670 7.3670 7.7552 7.7552 k = 0.3259 0.5645-0.0000 ( 18926 PWs) bands (ev): -43.1846 -43.1846 -43.1843 -43.1843 -43.1759 -43.1759 -43.1757 -43.1757 -42.9776 -42.9776 -42.9775 -42.9775 -5.1838 -5.1838 -5.1724 -5.1724 0.1652 0.1652 0.2309 0.2309 0.4688 0.4688 1.2990 1.2990 1.4594 1.4594 1.5704 1.5704 3.4532 3.4532 7.3290 7.3290 7.3793 7.3793 7.7036 7.7036 k = 0.3185 0.5517-0.0000 ( 18928 PWs) bands (ev): -43.1847 -43.1847 -43.1842 -43.1842 -43.1761 -43.1761 -43.1755 -43.1755 -42.9776 -42.9776 -42.9775 -42.9775 -5.1910 -5.1910 -5.1677 -5.1677 0.1532 0.1532 0.2401 0.2401 0.4818 0.4818 1.2956 1.2956 1.4427 1.4427 1.5930 1.5930 3.4667 3.4667 7.2599 7.2599 7.3839 7.3839 7.6310 7.6310 k = 0.3111 0.5389-0.0000 ( 18920 PWs) bands (ev): -43.1849 -43.1849 -43.1841 -43.1841 -43.1762 -43.1762 -43.1754 -43.1754 -42.9776 -42.9776 -42.9775 -42.9775 -5.1992 -5.1992 -5.1638 -5.1638 0.1424 0.1424 0.2472 0.2472 0.5034 0.5034 1.2844 1.2844 1.4290 1.4290 1.6224 1.6224 3.4889 3.4889 7.1751 7.1751 7.3790 7.3790 7.5517 7.5517 k = 0.3037 0.5260-0.0000 ( 18940 PWs) bands (ev): -43.1850 -43.1850 -43.1839 -43.1839 -43.1764 -43.1764 -43.1753 -43.1753 -42.9776 -42.9776 -42.9775 -42.9775 -5.2086 -5.2086 -5.1606 -5.1606 0.1347 0.1347 0.2518 0.2518 0.5325 0.5325 1.2609 1.2609 1.4259 1.4259 1.6552 1.6552 3.5192 3.5192 7.0829 7.0829 7.3633 7.3633 7.4705 7.4705 k = 0.2963 0.5132-0.0000 ( 18944 PWs) bands (ev): -43.1852 -43.1852 -43.1838 -43.1838 -43.1765 -43.1765 -43.1751 -43.1751 -42.9776 -42.9776 -42.9775 -42.9775 -5.2191 -5.2191 -5.1582 -5.1582 0.1312 0.1312 0.2550 0.2550 0.5675 0.5675 1.2260 1.2260 1.4343 1.4343 1.6901 1.6901 3.5572 3.5572 6.9875 6.9875 7.3360 7.3360 7.3902 7.3902 k = 0.2889 0.5004-0.0000 ( 18954 PWs) bands (ev): -43.1853 -43.1853 -43.1837 -43.1837 -43.1766 -43.1766 -43.1750 -43.1750 -42.9776 -42.9776 -42.9775 -42.9775 -5.2308 -5.2308 -5.1567 -5.1567 0.1322 0.1322 0.2581 0.2581 0.6069 0.6069 1.1835 1.1835 1.4512 1.4512 1.7265 1.7265 3.6024 3.6024 6.8911 6.8911 7.2945 7.2945 7.3155 7.3155 k = 0.2815 0.4875-0.0000 ( 18956 PWs) bands (ev): -43.1855 -43.1855 -43.1835 -43.1835 -43.1768 -43.1768 -43.1748 -43.1748 -42.9776 -42.9776 -42.9775 -42.9775 -5.2435 -5.2435 -5.1561 -5.1561 0.1380 0.1380 0.2624 0.2624 0.6494 0.6494 1.1368 1.1368 1.4740 1.4740 1.7639 1.7639 3.6543 3.6543 6.7950 6.7950 7.2288 7.2288 7.2588 7.2588 k = 0.2741 0.4747-0.0000 ( 18968 PWs) bands (ev): -43.1856 -43.1856 -43.1834 -43.1834 -43.1769 -43.1769 -43.1747 -43.1747 -42.9776 -42.9776 -42.9775 -42.9775 -5.2574 -5.2574 -5.1565 -5.1565 0.1488 0.1488 0.2685 0.2685 0.6937 0.6937 1.0886 1.0886 1.5012 1.5012 1.8021 1.8021 3.7123 3.7123 6.7000 6.7000 7.1569 7.1569 7.2046 7.2046 k = 0.2667 0.4619-0.0000 ( 18956 PWs) bands (ev): -43.1858 -43.1858 -43.1832 -43.1832 -43.1771 -43.1771 -43.1745 -43.1745 -42.9776 -42.9776 -42.9775 -42.9775 -5.2723 -5.2723 -5.1579 -5.1579 0.1646 0.1646 0.2772 0.2772 0.7377 0.7377 1.0416 1.0416 1.5317 1.5317 1.8409 1.8409 3.7762 3.7762 6.6065 6.6065 7.0876 7.0876 7.1466 7.1466 k = 0.2593 0.4491-0.0000 ( 18956 PWs) bands (ev): -43.1860 -43.1860 -43.1831 -43.1831 -43.1772 -43.1772 -43.1744 -43.1744 -42.9776 -42.9776 -42.9775 -42.9775 -5.2882 -5.2882 -5.1603 -5.1603 0.1855 0.1855 0.2888 0.2888 0.7773 0.7773 1.0007 1.0007 1.5651 1.5651 1.8802 1.8802 3.8455 3.8455 6.5150 6.5150 7.0221 7.0221 7.0854 7.0854 k = 0.2519 0.4362-0.0000 ( 18968 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1743 -43.1743 -42.9776 -42.9776 -42.9775 -42.9775 -5.3050 -5.3050 -5.1636 -5.1636 0.2116 0.2116 0.3033 0.3033 0.8015 0.8015 0.9771 0.9771 1.6009 1.6009 1.9197 1.9197 3.9199 3.9199 6.4256 6.4256 6.9607 6.9607 7.0225 7.0225 k = 0.2444 0.4234-0.0000 ( 18954 PWs) bands (ev): -43.1863 -43.1863 -43.1828 -43.1828 -43.1775 -43.1775 -43.1741 -43.1741 -42.9776 -42.9776 -42.9775 -42.9775 -5.3228 -5.3228 -5.1679 -5.1679 0.2427 0.2427 0.3209 0.3209 0.7957 0.7957 0.9864 0.9864 1.6387 1.6387 1.9594 1.9594 3.9991 3.9991 6.3386 6.3386 6.9036 6.9036 6.9589 6.9589 k = 0.2370 0.4106-0.0000 ( 18958 PWs) bands (ev): -43.1864 -43.1864 -43.1826 -43.1826 -43.1777 -43.1777 -43.1740 -43.1740 -42.9776 -42.9776 -42.9775 -42.9775 -5.3413 -5.3413 -5.1732 -5.1732 0.2788 0.2788 0.3409 0.3409 0.7653 0.7653 1.0237 1.0237 1.6782 1.6782 1.9993 1.9993 4.0828 4.0828 6.2540 6.2540 6.8507 6.8507 6.8956 6.8956 k = 0.2296 0.3977-0.0000 ( 18942 PWs) bands (ev): -43.1866 -43.1866 -43.1825 -43.1825 -43.1778 -43.1778 -43.1738 -43.1738 -42.9776 -42.9776 -42.9775 -42.9775 -5.3605 -5.3605 -5.1794 -5.1794 0.3199 0.3199 0.3625 0.3625 0.7264 0.7264 1.0745 1.0745 1.7192 1.7192 2.0391 2.0391 4.1708 4.1708 6.1721 6.1721 6.8013 6.8013 6.8342 6.8342 k = 0.2222 0.3849-0.0000 ( 18926 PWs) bands (ev): -43.1867 -43.1867 -43.1824 -43.1824 -43.1780 -43.1780 -43.1737 -43.1737 -42.9775 -42.9775 -42.9775 -42.9775 -5.3804 -5.3804 -5.1865 -5.1865 0.3658 0.3658 0.3835 0.3835 0.6885 0.6885 1.1314 1.1314 1.7614 1.7614 2.0788 2.0788 4.2628 4.2628 6.0929 6.0929 6.7521 6.7521 6.7787 6.7787 k = 0.2148 0.3721-0.0000 ( 18938 PWs) bands (ev): -43.1869 -43.1869 -43.1822 -43.1822 -43.1781 -43.1781 -43.1735 -43.1735 -42.9775 -42.9775 -42.9775 -42.9775 -5.4008 -5.4008 -5.1945 -5.1945 0.3993 0.3993 0.4169 0.4169 0.6585 0.6585 1.1919 1.1919 1.8045 1.8045 2.1185 2.1185 4.3587 4.3587 6.0164 6.0164 6.6975 6.6975 6.7352 6.7352 k = 0.2074 0.3592-0.0000 ( 18950 PWs) bands (ev): -43.1870 -43.1870 -43.1821 -43.1821 -43.1783 -43.1783 -43.1734 -43.1734 -42.9775 -42.9775 -42.9775 -42.9775 -5.4216 -5.4216 -5.2032 -5.2032 0.4040 0.4040 0.4721 0.4721 0.6444 0.6444 1.2548 1.2548 1.8482 1.8482 2.1580 2.1580 4.4583 4.4583 5.9429 5.9429 6.6399 6.6399 6.7015 6.7015 k = 0.2000 0.3464-0.0000 ( 18940 PWs) bands (ev): -43.1872 -43.1872 -43.1820 -43.1820 -43.1784 -43.1784 -43.1732 -43.1732 -42.9775 -42.9775 -42.9775 -42.9775 -5.4428 -5.4428 -5.2126 -5.2126 0.3919 0.3919 0.5317 0.5317 0.6521 0.6521 1.3196 1.3196 1.8923 1.8923 2.1974 2.1974 4.5615 4.5615 5.8723 5.8723 6.5828 6.5828 6.6748 6.6748 k = 0.1926 0.3336-0.0000 ( 18920 PWs) bands (ev): -43.1873 -43.1873 -43.1818 -43.1818 -43.1786 -43.1786 -43.1731 -43.1731 -42.9775 -42.9775 -42.9774 -42.9774 -5.4642 -5.4642 -5.2226 -5.2226 0.3650 0.3650 0.5956 0.5956 0.6800 0.6800 1.3859 1.3859 1.9365 1.9365 2.2369 2.2369 4.6681 4.6681 5.8047 5.8047 6.5272 6.5272 6.6541 6.6541 k = 0.1852 0.3208-0.0000 ( 18920 PWs) bands (ev): -43.1875 -43.1875 -43.1817 -43.1817 -43.1787 -43.1787 -43.1729 -43.1729 -42.9775 -42.9775 -42.9774 -42.9774 -5.4857 -5.4857 -5.2332 -5.2332 0.3293 0.3293 0.6633 0.6633 0.7225 0.7225 1.4533 1.4533 1.9803 1.9803 2.2764 2.2764 4.7779 4.7779 5.7401 5.7401 6.4736 6.4736 6.6391 6.6391 k = 0.1778 0.3079-0.0000 ( 18912 PWs) bands (ev): -43.1876 -43.1876 -43.1816 -43.1816 -43.1788 -43.1788 -43.1728 -43.1728 -42.9775 -42.9775 -42.9774 -42.9774 -5.5072 -5.5072 -5.2443 -5.2443 0.2894 0.2894 0.7341 0.7341 0.7754 0.7754 1.5218 1.5218 2.0234 2.0234 2.3162 2.3162 4.8909 4.8909 5.6787 5.6787 6.4222 6.4222 6.6294 6.6294 k = 0.1704 0.2951-0.0000 ( 18921 PWs) bands (ev): -43.1878 -43.1878 -43.1814 -43.1814 -43.1790 -43.1790 -43.1727 -43.1727 -42.9775 -42.9775 -42.9774 -42.9774 -5.5286 -5.5286 -5.2557 -5.2557 0.2480 0.2480 0.8069 0.8069 0.8372 0.8372 1.5910 1.5910 2.0655 2.0655 2.3563 2.3563 5.0069 5.0069 5.6204 5.6204 6.3732 6.3732 6.6216 6.6216 k = 0.1630 0.2823-0.0000 ( 18927 PWs) bands (ev): -43.1879 -43.1879 -43.1813 -43.1813 -43.1791 -43.1791 -43.1725 -43.1725 -42.9775 -42.9775 -42.9774 -42.9774 -5.5499 -5.5499 -5.2675 -5.2675 0.2062 0.2062 0.8798 0.8798 0.9081 0.9081 1.6608 1.6608 2.1062 2.1062 2.3971 2.3971 5.1258 5.1258 5.5654 5.5654 6.3267 6.3267 6.5819 6.5819 k = 0.1556 0.2694-0.0000 ( 18953 PWs) bands (ev): -43.1881 -43.1881 -43.1812 -43.1812 -43.1792 -43.1792 -43.1724 -43.1724 -42.9775 -42.9775 -42.9774 -42.9774 -5.5709 -5.5709 -5.2794 -5.2794 0.1650 0.1650 0.9529 0.9529 0.9869 0.9869 1.7310 1.7310 2.1453 2.1453 2.4385 2.4385 5.2473 5.2473 5.5137 5.5137 6.2829 6.2829 6.5204 6.5204 k = 0.1481 0.2566-0.0000 ( 18973 PWs) bands (ev): -43.1882 -43.1882 -43.1811 -43.1811 -43.1794 -43.1794 -43.1723 -43.1723 -42.9775 -42.9775 -42.9774 -42.9774 -5.5915 -5.5915 -5.2915 -5.2915 0.1248 0.1248 1.0277 1.0277 1.0710 1.0710 1.8012 1.8012 2.1826 2.1826 2.4807 2.4807 5.3709 5.3709 5.4658 5.4658 6.2419 6.2419 6.4588 6.4588 k = 0.1407 0.2438-0.0000 ( 18977 PWs) bands (ev): -43.1883 -43.1883 -43.1810 -43.1810 -43.1795 -43.1795 -43.1722 -43.1722 -42.9775 -42.9775 -42.9774 -42.9774 -5.6116 -5.6116 -5.3036 -5.3036 0.0858 0.0858 1.1052 1.1052 1.1589 1.1589 1.8713 1.8713 2.2179 2.2179 2.5238 2.5238 5.4176 5.4176 5.5005 5.5005 6.2037 6.2037 6.3983 6.3983 k = 0.1333 0.2309-0.0000 ( 18971 PWs) bands (ev): -43.1885 -43.1885 -43.1809 -43.1809 -43.1796 -43.1796 -43.1721 -43.1721 -42.9775 -42.9775 -42.9774 -42.9774 -5.6313 -5.6313 -5.3156 -5.3156 0.0484 0.0484 1.1854 1.1854 1.2495 1.2495 1.9408 1.9408 2.2515 2.2515 2.5676 2.5676 5.3763 5.3763 5.6287 5.6287 6.1685 6.1685 6.3393 6.3393 k = 0.1259 0.2181-0.0000 ( 18975 PWs) bands (ev): -43.1886 -43.1886 -43.1808 -43.1808 -43.1797 -43.1797 -43.1720 -43.1720 -42.9775 -42.9775 -42.9774 -42.9774 -5.6503 -5.6503 -5.3275 -5.3275 0.0125 0.0125 1.2681 1.2681 1.3422 1.3422 2.0092 2.0092 2.2839 2.2839 2.6119 2.6119 5.3373 5.3373 5.7597 5.7597 6.1365 6.1365 6.2817 6.2817 k = 0.1185 0.2053-0.0000 ( 18975 PWs) bands (ev): -43.1887 -43.1887 -43.1807 -43.1807 -43.1798 -43.1798 -43.1719 -43.1719 -42.9775 -42.9775 -42.9774 -42.9774 -5.6686 -5.6686 -5.3392 -5.3392 -0.0216 -0.0216 1.3530 1.3530 1.4363 1.4363 2.0758 2.0758 2.3156 2.3156 2.6566 2.6566 5.3011 5.3011 5.8925 5.8925 6.1078 6.1078 6.2255 6.2255 k = 0.1111 0.1925-0.0000 ( 18955 PWs) bands (ev): -43.1888 -43.1888 -43.1806 -43.1806 -43.1799 -43.1799 -43.1718 -43.1718 -42.9775 -42.9775 -42.9774 -42.9774 -5.6861 -5.6861 -5.3506 -5.3506 -0.0539 -0.0539 1.4396 1.4396 1.5312 1.5312 2.1396 2.1396 2.3481 2.3481 2.7012 2.7012 5.2677 5.2677 6.0243 6.0243 6.0840 6.0840 6.1717 6.1717 k = 0.1037 0.1796-0.0000 ( 18969 PWs) bands (ev): -43.1889 -43.1889 -43.1805 -43.1805 -43.1800 -43.1800 -43.1717 -43.1717 -42.9775 -42.9775 -42.9774 -42.9774 -5.7028 -5.7028 -5.3616 -5.3616 -0.0843 -0.0843 1.5275 1.5275 1.6261 1.6261 2.1989 2.1989 2.3830 2.3830 2.7454 2.7454 5.2365 5.2365 6.0570 6.0570 6.1096 6.1096 6.1736 6.1736 k = 0.0963 0.1668-0.0000 ( 18957 PWs) bands (ev): -43.1890 -43.1890 -43.1804 -43.1804 -43.1801 -43.1801 -43.1716 -43.1716 -42.9775 -42.9775 -42.9774 -42.9774 -5.7186 -5.7186 -5.3721 -5.3721 -0.1127 -0.1127 1.6159 1.6159 1.7200 1.7200 2.2520 2.2520 2.4227 2.4227 2.7888 2.7888 5.2073 5.2073 6.0382 6.0382 6.0621 6.0621 6.3060 6.3060 k = 0.0889 0.1540-0.0000 ( 18957 PWs) bands (ev): -43.1891 -43.1891 -43.1803 -43.1803 -43.1802 -43.1802 -43.1715 -43.1715 -42.9775 -42.9775 -42.9774 -42.9774 -5.7335 -5.7335 -5.3821 -5.3821 -0.1392 -0.1392 1.7041 1.7041 1.8116 1.8116 2.2975 2.2975 2.4689 2.4689 2.8310 2.8310 5.1794 5.1794 6.0088 6.0088 6.0263 6.0263 6.4430 6.4430 k = 0.0815 0.1411-0.0000 ( 18963 PWs) bands (ev): -43.1892 -43.1892 -43.1803 -43.1803 -43.1803 -43.1803 -43.1714 -43.1714 -42.9775 -42.9775 -42.9774 -42.9774 -5.7473 -5.7473 -5.3916 -5.3916 -0.1637 -0.1637 1.7913 1.7913 1.8995 1.8995 2.3364 2.3364 2.5216 2.5216 2.8718 2.8718 5.1519 5.1519 5.9626 5.9626 6.0131 6.0131 6.5142 6.5142 k = 0.0741 0.1283-0.0000 ( 18953 PWs) bands (ev): -43.1893 -43.1893 -43.1803 -43.1803 -43.1802 -43.1802 -43.1714 -43.1714 -42.9775 -42.9775 -42.9774 -42.9774 -5.7601 -5.7601 -5.4004 -5.4004 -0.1861 -0.1861 1.8765 1.8765 1.9818 1.9818 2.3713 2.3713 2.5790 2.5790 2.9108 2.9108 5.1238 5.1238 5.9192 5.9192 6.0046 6.0046 6.4641 6.4641 k = 0.0667 0.1155-0.0000 ( 18955 PWs) bands (ev): -43.1893 -43.1893 -43.1804 -43.1804 -43.1801 -43.1801 -43.1713 -43.1713 -42.9775 -42.9775 -42.9774 -42.9774 -5.7718 -5.7718 -5.4086 -5.4086 -0.2064 -0.2064 1.9586 1.9586 2.0561 2.0561 2.4055 2.4055 2.6388 2.6388 2.9479 2.9479 5.0940 5.0940 5.8812 5.8812 5.9998 5.9998 6.4168 6.4168 k = 0.0593 0.1026-0.0000 ( 18957 PWs) bands (ev): -43.1894 -43.1894 -43.1804 -43.1804 -43.1801 -43.1801 -43.1713 -43.1713 -42.9775 -42.9775 -42.9774 -42.9774 -5.7824 -5.7824 -5.4160 -5.4160 -0.2247 -0.2247 2.0362 2.0362 2.1202 2.1202 2.4420 2.4420 2.6989 2.6989 2.9833 2.9833 5.0616 5.0616 5.8504 5.8504 5.9984 5.9984 6.3732 6.3732 k = 0.0519 0.0898-0.0000 ( 18973 PWs) bands (ev): -43.1895 -43.1895 -43.1805 -43.1805 -43.1800 -43.1800 -43.1712 -43.1712 -42.9775 -42.9775 -42.9774 -42.9774 -5.7919 -5.7919 -5.4226 -5.4226 -0.2409 -0.2409 2.1081 2.1081 2.1723 2.1723 2.4826 2.4826 2.7569 2.7569 3.0172 3.0172 5.0260 5.0260 5.8287 5.8287 6.0004 6.0004 6.3332 6.3332 k = 0.0444 0.0770-0.0000 ( 18989 PWs) bands (ev): -43.1895 -43.1895 -43.1805 -43.1805 -43.1800 -43.1800 -43.1712 -43.1712 -42.9775 -42.9775 -42.9774 -42.9774 -5.8001 -5.8001 -5.4285 -5.4285 -0.2549 -0.2549 2.1728 2.1728 2.2122 2.2122 2.5274 2.5274 2.8102 2.8102 3.0503 3.0503 4.9875 4.9875 5.8171 5.8171 6.0052 6.0052 6.2958 6.2958 k = 0.0370 0.0642-0.0000 ( 18987 PWs) bands (ev): -43.1896 -43.1896 -43.1806 -43.1806 -43.1800 -43.1800 -43.1711 -43.1711 -42.9775 -42.9775 -42.9774 -42.9774 -5.8071 -5.8071 -5.4334 -5.4334 -0.2668 -0.2668 2.2287 2.2287 2.2417 2.2417 2.5743 2.5743 2.8557 2.8557 3.0835 3.0835 4.9473 4.9473 5.8164 5.8164 6.0122 6.0122 6.2600 6.2600 k = 0.0296 0.0513-0.0000 ( 18985 PWs) bands (ev): -43.1896 -43.1896 -43.1806 -43.1806 -43.1800 -43.1800 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8128 -5.8128 -5.4376 -5.4376 -0.2765 -0.2765 2.2609 2.2609 2.2771 2.2771 2.6202 2.6202 2.8910 2.8910 3.1166 3.1166 4.9077 4.9077 5.8261 5.8261 6.0200 6.0200 6.2189 6.2189 k = 0.0222 0.0385-0.0000 ( 18991 PWs) bands (ev): -43.1896 -43.1896 -43.1806 -43.1806 -43.1799 -43.1799 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8173 -5.8173 -5.4408 -5.4408 -0.2841 -0.2841 2.2753 2.2753 2.3139 2.3139 2.6616 2.6616 2.9152 2.9152 3.1480 3.1480 4.8717 4.8717 5.8446 5.8446 6.0259 6.0259 6.1557 6.1557 k = 0.0148 0.0257-0.0000 ( 18985 PWs) bands (ev): -43.1896 -43.1896 -43.1807 -43.1807 -43.1799 -43.1799 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8206 -5.8206 -5.4431 -5.4431 -0.2895 -0.2895 2.2844 2.2844 2.3405 2.3405 2.6950 2.6950 2.9296 2.9296 3.1745 3.1745 4.8426 4.8426 5.8688 5.8688 6.0254 6.0254 6.1167 6.1167 k = 0.0074 0.0128-0.0000 ( 18993 PWs) bands (ev): -43.1896 -43.1896 -43.1807 -43.1807 -43.1799 -43.1799 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8225 -5.8225 -5.4445 -5.4445 -0.2928 -0.2928 2.2895 2.2895 2.3565 2.3565 2.7169 2.7169 2.9366 2.9366 3.1923 3.1923 4.8237 4.8237 5.8922 5.8922 6.0182 6.0182 6.1011 6.1011 k = 0.0000 0.0000 0.0000 ( 18993 PWs) bands (ev): -43.1896 -43.1896 -43.1807 -43.1807 -43.1799 -43.1799 -43.1710 -43.1710 -42.9774 -42.9774 -42.9774 -42.9774 -5.8231 -5.8231 -5.4450 -5.4450 -0.2938 -0.2938 2.2911 2.2911 2.3618 2.3618 2.7247 2.7247 2.9385 2.9385 3.1986 3.1986 4.8171 4.8171 5.9028 5.9028 6.0140 6.0140 6.0967 6.0968 k = 0.0000 0.0000 0.0000 ( 18993 PWs) bands (ev): -43.1896 -43.1896 -43.1807 -43.1807 -43.1799 -43.1799 -43.1710 -43.1710 -42.9774 -42.9774 -42.9774 -42.9774 -5.8231 -5.8231 -5.4450 -5.4450 -0.2938 -0.2938 2.2911 2.2911 2.3618 2.3618 2.7247 2.7247 2.9385 2.9385 3.1986 3.1986 4.8171 4.8171 5.9028 5.9028 6.0140 6.0140 6.0967 6.0968 k = 0.0000 0.0000 0.0149 ( 18987 PWs) bands (ev): -43.1896 -43.1896 -43.1808 -43.1808 -43.1797 -43.1797 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8226 -5.8226 -5.4457 -5.4457 -0.2908 -0.2908 2.2834 2.2834 2.3626 2.3626 2.7254 2.7254 2.9346 2.9346 3.1978 3.1978 4.8281 4.8281 5.9056 5.9056 6.0130 6.0130 6.0945 6.0945 k = 0.0000 0.0000 0.0298 ( 19005 PWs) bands (ev): -43.1896 -43.1896 -43.1811 -43.1811 -43.1794 -43.1794 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8209 -5.8209 -5.4480 -5.4480 -0.2817 -0.2817 2.2604 2.2604 2.3647 2.3647 2.7277 2.7277 2.9235 2.9235 3.1953 3.1953 4.8600 4.8600 5.9144 5.9144 6.0103 6.0103 6.0879 6.0879 k = 0.0000 0.0000 0.0447 ( 18993 PWs) bands (ev): -43.1896 -43.1896 -43.1815 -43.1815 -43.1791 -43.1791 -43.1711 -43.1711 -42.9774 -42.9774 -42.9774 -42.9774 -5.8181 -5.8181 -5.4518 -5.4518 -0.2666 -0.2666 2.2224 2.2224 2.3682 2.3682 2.7315 2.7315 2.9068 2.9068 3.1913 3.1913 4.9104 4.9104 5.9296 5.9296 6.0058 6.0058 6.0775 6.0775 k = 0.0000 0.0000 0.0596 ( 18987 PWs) bands (ev): -43.1895 -43.1895 -43.1819 -43.1819 -43.1787 -43.1787 -43.1712 -43.1712 -42.9774 -42.9774 -42.9774 -42.9774 -5.8143 -5.8143 -5.4570 -5.4570 -0.2455 -0.2455 2.1700 2.1700 2.3731 2.3731 2.7369 2.7369 2.8867 2.8867 3.1857 3.1857 4.9755 4.9755 5.9521 5.9521 5.9996 5.9996 6.0641 6.0641 k = 0.0000 0.0000 0.0744 ( 18957 PWs) bands (ev): -43.1895 -43.1895 -43.1822 -43.1822 -43.1783 -43.1783 -43.1712 -43.1712 -42.9774 -42.9774 -42.9774 -42.9774 -5.8094 -5.8094 -5.4636 -5.4636 -0.2185 -0.2185 2.1046 2.1046 2.3794 2.3794 2.7437 2.7437 2.8651 2.8651 3.1786 3.1786 5.0509 5.0509 5.9829 5.9829 5.9917 5.9917 6.0487 6.0487 k = 0.0000 0.0000 0.0893 ( 18945 PWs) bands (ev): -43.1894 -43.1894 -43.1826 -43.1826 -43.1780 -43.1780 -43.1713 -43.1713 -42.9774 -42.9774 -42.9774 -42.9774 -5.8034 -5.8034 -5.4715 -5.4715 -0.1857 -0.1857 2.0278 2.0278 2.3870 2.3870 2.7519 2.7519 2.8430 2.8430 3.1699 3.1699 5.1320 5.1320 5.9822 5.9822 6.0222 6.0222 6.0321 6.0321 k = 0.0000 0.0000 0.1042 ( 18933 PWs) bands (ev): -43.1893 -43.1893 -43.1830 -43.1830 -43.1776 -43.1776 -43.1714 -43.1714 -42.9774 -42.9774 -42.9774 -42.9774 -5.7964 -5.7964 -5.4807 -5.4807 -0.1471 -0.1471 1.9415 1.9415 2.3960 2.3960 2.7615 2.7615 2.8213 2.8213 3.1598 3.1598 5.2141 5.2141 5.9711 5.9711 6.0154 6.0154 6.0257 6.0257 k = 0.0000 0.0000 0.1191 ( 18927 PWs) bands (ev): -43.1891 -43.1891 -43.1833 -43.1833 -43.1772 -43.1772 -43.1715 -43.1715 -42.9774 -42.9774 -42.9774 -42.9774 -5.7884 -5.7884 -5.4910 -5.4910 -0.1030 -0.1030 1.8477 1.8477 2.4061 2.4061 2.7725 2.7725 2.8002 2.8002 3.1483 3.1483 5.2930 5.2930 5.9587 5.9587 5.9993 5.9993 6.0118 6.0118 k = 0.0000 0.0000 0.1340 ( 18945 PWs) bands (ev): -43.1890 -43.1890 -43.1837 -43.1837 -43.1769 -43.1769 -43.1717 -43.1717 -42.9774 -42.9774 -42.9774 -42.9774 -5.7794 -5.7794 -5.5024 -5.5024 -0.0534 -0.0534 1.7484 1.7484 2.4175 2.4175 2.7795 2.7795 2.7847 2.7847 3.1354 3.1354 5.3656 5.3656 5.9449 5.9449 5.9845 5.9845 5.9987 5.9987 k = 0.0000 0.0000 0.1489 ( 18933 PWs) bands (ev): -43.1889 -43.1889 -43.1841 -43.1841 -43.1765 -43.1765 -43.1718 -43.1718 -42.9774 -42.9774 -42.9774 -42.9774 -5.7695 -5.7695 -5.5148 -5.5148 0.0016 0.0016 1.6451 1.6451 2.4300 2.4300 2.7593 2.7593 2.7982 2.7982 3.1214 3.1214 5.4300 5.4300 5.9299 5.9299 5.9715 5.9715 5.9872 5.9872 k = 0.0000 0.0000 0.1638 ( 18939 PWs) bands (ev): -43.1887 -43.1887 -43.1844 -43.1844 -43.1762 -43.1762 -43.1720 -43.1720 -42.9774 -42.9774 -42.9774 -42.9774 -5.7588 -5.7588 -5.5279 -5.5279 0.0616 0.0616 1.5392 1.5392 2.4435 2.4435 2.7392 2.7392 2.8128 2.8128 3.1061 3.1061 5.4858 5.4858 5.9137 5.9137 5.9608 5.9608 5.9778 5.9778 k = 0.0000 0.0000 0.1787 ( 18927 PWs) bands (ev): -43.1885 -43.1885 -43.1848 -43.1848 -43.1758 -43.1758 -43.1721 -43.1721 -42.9774 -42.9774 -42.9774 -42.9774 -5.7472 -5.7472 -5.5418 -5.5418 0.1267 0.1267 1.4319 1.4319 2.4581 2.4581 2.7193 2.7193 2.8284 2.8284 3.0899 3.0899 5.5339 5.5339 5.8965 5.8965 5.9528 5.9528 5.9707 5.9707 k = 0.0000 0.0000 0.1936 ( 18939 PWs) bands (ev): -43.1883 -43.1883 -43.1851 -43.1851 -43.1755 -43.1755 -43.1723 -43.1723 -42.9774 -42.9774 -42.9774 -42.9774 -5.7349 -5.7349 -5.5562 -5.5562 0.1966 0.1966 1.3242 1.3242 2.4736 2.4736 2.6995 2.6995 2.8449 2.8449 3.0727 3.0727 5.5756 5.5756 5.8784 5.8784 5.9476 5.9476 5.9663 5.9663 k = 0.0000 0.0000 0.2084 ( 18956 PWs) bands (ev): -43.1881 -43.1881 -43.1854 -43.1854 -43.1752 -43.1752 -43.1725 -43.1725 -42.9774 -42.9774 -42.9774 -42.9774 -5.7218 -5.7218 -5.5712 -5.5712 0.2711 0.2711 1.2168 1.2168 2.4899 2.4899 2.6796 2.6796 2.8623 2.8623 3.0547 3.0547 5.6121 5.6121 5.8594 5.8594 5.9454 5.9454 5.9647 5.9647 k = 0.0000 0.0000 0.2233 ( 18962 PWs) bands (ev): -43.1879 -43.1879 -43.1857 -43.1857 -43.1749 -43.1749 -43.1727 -43.1727 -42.9774 -42.9774 -42.9774 -42.9774 -5.7082 -5.7082 -5.5865 -5.5865 0.3500 0.3500 1.1104 1.1104 2.5070 2.5070 2.6598 2.6598 2.8805 2.8805 3.0361 3.0361 5.6448 5.6448 5.8395 5.8395 5.9463 5.9463 5.9659 5.9659 k = 0.0000 0.0000 0.2382 ( 18950 PWs) bands (ev): -43.1877 -43.1877 -43.1861 -43.1861 -43.1746 -43.1746 -43.1729 -43.1729 -42.9774 -42.9774 -42.9774 -42.9774 -5.6940 -5.6940 -5.6020 -5.6020 0.4331 0.4331 1.0057 1.0057 2.5248 2.5248 2.6399 2.6399 2.8992 2.8992 3.0169 3.0169 5.6744 5.6744 5.8189 5.8189 5.9504 5.9504 5.9701 5.9701 k = 0.0000 0.0000 0.2531 ( 18956 PWs) bands (ev): -43.1875 -43.1875 -43.1864 -43.1864 -43.1743 -43.1743 -43.1732 -43.1732 -42.9774 -42.9774 -42.9774 -42.9774 -5.6793 -5.6793 -5.6176 -5.6176 0.5202 0.5202 0.9029 0.9029 2.5431 2.5431 2.6201 2.6201 2.9184 2.9184 2.9974 2.9974 5.7018 5.7018 5.7974 5.7974 5.9575 5.9575 5.9772 5.9772 k = 0.0000 0.0000 0.2680 ( 18944 PWs) bands (ev): -43.1872 -43.1872 -43.1866 -43.1866 -43.1740 -43.1740 -43.1734 -43.1734 -42.9774 -42.9774 -42.9774 -42.9774 -5.6642 -5.6642 -5.6333 -5.6333 0.6110 0.6110 0.8027 0.8027 2.5619 2.5619 2.6005 2.6005 2.9380 2.9380 2.9776 2.9776 5.7275 5.7275 5.7751 5.7751 5.9676 5.9676 5.9871 5.9871 k = 0.0000 0.0000 0.2829 ( 18938 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6489 -5.6489 -5.6489 -5.6489 0.7053 0.7053 0.7053 0.7053 2.5810 2.5810 2.5810 2.5810 2.9578 2.9578 2.9578 2.9578 5.7519 5.7519 5.7519 5.7519 5.9806 5.9806 5.9806 5.9806 k = 0.0000 0.0000 0.2829 ( 18938 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6489 -5.6489 -5.6489 -5.6489 0.7053 0.7053 0.7053 0.7053 2.5810 2.5810 2.5810 2.5810 2.9578 2.9578 2.9578 2.9578 5.7519 5.7519 5.7519 5.7519 5.9806 5.9806 5.9806 5.9806 k = 0.0128 0.0074 0.2829 ( 18938 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6483 -5.6483 -5.6483 -5.6483 0.7058 0.7058 0.7058 0.7058 2.5761 2.5761 2.5761 2.5761 2.9519 2.9519 2.9519 2.9519 5.7575 5.7575 5.7575 5.7575 5.9830 5.9830 5.9830 5.9830 k = 0.0256 0.0148 0.2829 ( 18950 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6466 -5.6466 -5.6466 -5.6466 0.7074 0.7074 0.7074 0.7074 2.5611 2.5611 2.5611 2.5611 2.9346 2.9346 2.9346 2.9346 5.7728 5.7728 5.7728 5.7728 5.9886 5.9886 5.9886 5.9886 k = 0.0385 0.0222 0.2829 ( 18958 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6437 -5.6437 -5.6437 -5.6437 0.7100 0.7100 0.7100 0.7100 2.5362 2.5362 2.5362 2.5362 2.9071 2.9071 2.9071 2.9071 5.7926 5.7926 5.7926 5.7926 5.9989 5.9989 5.9989 5.9989 k = 0.0513 0.0296 0.2829 ( 18962 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6398 -5.6398 -5.6398 -5.6398 0.7135 0.7135 0.7135 0.7135 2.5013 2.5013 2.5013 2.5013 2.8712 2.8712 2.8712 2.8712 5.8084 5.8084 5.8084 5.8084 6.0214 6.0214 6.0214 6.0214 k = 0.0641 0.0370 0.2829 ( 18972 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1738 -43.1738 -43.1738 -43.1738 -42.9774 -42.9774 -42.9774 -42.9774 -5.6347 -5.6347 -5.6347 -5.6347 0.7180 0.7180 0.7180 0.7180 2.4565 2.4565 2.4565 2.4565 2.8291 2.8291 2.8291 2.8291 5.8126 5.8126 5.8126 5.8126 6.0617 6.0617 6.0617 6.0617 k = 0.0769 0.0444 0.2829 ( 18978 PWs) bands (ev): -43.1868 -43.1868 -43.1868 -43.1868 -43.1738 -43.1738 -43.1738 -43.1738 -42.9774 -42.9774 -42.9774 -42.9774 -5.6286 -5.6286 -5.6286 -5.6286 0.7232 0.7232 0.7232 0.7232 2.4024 2.4024 2.4024 2.4024 2.7827 2.7827 2.7827 2.7827 5.8039 5.8039 5.8039 5.8039 6.1189 6.1189 6.1189 6.1189 k = 0.0897 0.0518 0.2829 ( 18970 PWs) bands (ev): -43.1868 -43.1868 -43.1868 -43.1868 -43.1738 -43.1738 -43.1738 -43.1738 -42.9774 -42.9774 -42.9774 -42.9774 -5.6213 -5.6213 -5.6213 -5.6213 0.7290 0.7290 0.7290 0.7290 2.3398 2.3398 2.3398 2.3398 2.7336 2.7336 2.7336 2.7336 5.7853 5.7853 5.7853 5.7853 6.1874 6.1874 6.1874 6.1874 k = 0.1026 0.0592 0.2829 ( 18970 PWs) bands (ev): -43.1867 -43.1867 -43.1867 -43.1867 -43.1739 -43.1739 -43.1739 -43.1739 -42.9774 -42.9774 -42.9774 -42.9774 -5.6131 -5.6131 -5.6131 -5.6131 0.7353 0.7353 0.7353 0.7353 2.2697 2.2697 2.2697 2.2697 2.6831 2.6831 2.6831 2.6831 5.7595 5.7595 5.7595 5.7595 6.2622 6.2622 6.2622 6.2622 k = 0.1154 0.0666 0.2829 ( 18978 PWs) bands (ev): -43.1867 -43.1867 -43.1867 -43.1867 -43.1739 -43.1739 -43.1739 -43.1739 -42.9774 -42.9774 -42.9774 -42.9774 -5.6039 -5.6039 -5.6039 -5.6039 0.7418 0.7418 0.7418 0.7418 2.1936 2.1936 2.1936 2.1936 2.6320 2.6320 2.6320 2.6320 5.7285 5.7285 5.7285 5.7285 6.3398 6.3398 6.3398 6.3398 k = 0.1282 0.0740 0.2829 ( 18978 PWs) bands (ev): -43.1866 -43.1866 -43.1866 -43.1866 -43.1739 -43.1739 -43.1739 -43.1739 -42.9774 -42.9774 -42.9774 -42.9774 -5.5937 -5.5937 -5.5937 -5.5937 0.7481 0.7481 0.7481 0.7481 2.1133 2.1133 2.1133 2.1133 2.5808 2.5808 2.5808 2.5808 5.6932 5.6932 5.6932 5.6932 6.4170 6.4170 6.4170 6.4170 k = 0.1410 0.0814 0.2829 ( 18978 PWs) bands (ev): -43.1866 -43.1866 -43.1866 -43.1866 -43.1740 -43.1740 -43.1740 -43.1740 -42.9774 -42.9774 -42.9774 -42.9774 -5.5826 -5.5826 -5.5826 -5.5826 0.7538 0.7538 0.7538 0.7538 2.0305 2.0305 2.0305 2.0305 2.5297 2.5297 2.5297 2.5297 5.6545 5.6545 5.6545 5.6545 6.4903 6.4903 6.4903 6.4903 k = 0.1538 0.0888 0.2829 ( 18950 PWs) bands (ev): -43.1865 -43.1865 -43.1865 -43.1865 -43.1740 -43.1740 -43.1740 -43.1740 -42.9774 -42.9774 -42.9774 -42.9774 -5.5706 -5.5706 -5.5706 -5.5706 0.7585 0.7585 0.7585 0.7585 1.9469 1.9469 1.9469 1.9469 2.4790 2.4790 2.4790 2.4790 5.6127 5.6127 5.6127 5.6127 6.5556 6.5556 6.5556 6.5556 k = 0.1667 0.0962 0.2829 ( 18948 PWs) bands (ev): -43.1865 -43.1865 -43.1865 -43.1865 -43.1741 -43.1741 -43.1741 -43.1741 -42.9774 -42.9774 -42.9774 -42.9774 -5.5578 -5.5578 -5.5578 -5.5578 0.7614 0.7614 0.7614 0.7614 1.8643 1.8643 1.8643 1.8643 2.4288 2.4288 2.4288 2.4288 5.5682 5.5682 5.5682 5.5682 6.6090 6.6090 6.6090 6.6090 k = 0.1795 0.1036 0.2829 ( 18944 PWs) bands (ev): -43.1864 -43.1864 -43.1864 -43.1864 -43.1741 -43.1741 -43.1741 -43.1741 -42.9774 -42.9774 -42.9774 -42.9774 -5.5443 -5.5443 -5.5443 -5.5443 0.7616 0.7616 0.7616 0.7616 1.7844 1.7844 1.7844 1.7844 2.3793 2.3793 2.3793 2.3793 5.5212 5.5212 5.5212 5.5212 6.6482 6.6482 6.6482 6.6482 k = 0.1923 0.1110 0.2829 ( 18958 PWs) bands (ev): -43.1863 -43.1863 -43.1863 -43.1863 -43.1742 -43.1742 -43.1742 -43.1742 -42.9775 -42.9775 -42.9775 -42.9775 -5.5300 -5.5300 -5.5300 -5.5300 0.7582 0.7582 0.7582 0.7582 1.7089 1.7089 1.7089 1.7089 2.3306 2.3306 2.3306 2.3306 5.4720 5.4720 5.4720 5.4720 6.6724 6.6724 6.6724 6.6724 k = 0.2051 0.1184 0.2829 ( 18960 PWs) bands (ev): -43.1862 -43.1862 -43.1862 -43.1862 -43.1743 -43.1743 -43.1743 -43.1743 -42.9775 -42.9775 -42.9775 -42.9775 -5.5152 -5.5152 -5.5152 -5.5152 0.7500 0.7500 0.7500 0.7500 1.6398 1.6398 1.6398 1.6398 2.2830 2.2830 2.2830 2.2830 5.4206 5.4206 5.4206 5.4206 6.6825 6.6825 6.6825 6.6825 k = 0.2179 0.1258 0.2829 ( 18946 PWs) bands (ev): -43.1862 -43.1862 -43.1862 -43.1862 -43.1743 -43.1743 -43.1743 -43.1743 -42.9775 -42.9775 -42.9775 -42.9775 -5.4999 -5.4999 -5.4999 -5.4999 0.7357 0.7357 0.7357 0.7357 1.5786 1.5786 1.5786 1.5786 2.2366 2.2366 2.2366 2.2366 5.3673 5.3673 5.3673 5.3673 6.6802 6.6802 6.6802 6.6802 k = 0.2308 0.1332 0.2829 ( 18964 PWs) bands (ev): -43.1861 -43.1861 -43.1861 -43.1861 -43.1744 -43.1744 -43.1744 -43.1744 -42.9775 -42.9775 -42.9775 -42.9775 -5.4841 -5.4841 -5.4841 -5.4841 0.7143 0.7143 0.7143 0.7143 1.5271 1.5271 1.5271 1.5271 2.1915 2.1915 2.1915 2.1915 5.3122 5.3122 5.3122 5.3122 6.6679 6.6679 6.6679 6.6679 k = 0.2436 0.1406 0.2829 ( 18964 PWs) bands (ev): -43.1860 -43.1860 -43.1860 -43.1860 -43.1745 -43.1745 -43.1745 -43.1745 -42.9775 -42.9775 -42.9775 -42.9775 -5.4679 -5.4679 -5.4679 -5.4679 0.6850 0.6850 0.6850 0.6850 1.4860 1.4860 1.4860 1.4860 2.1480 2.1480 2.1480 2.1480 5.2557 5.2557 5.2557 5.2557 6.6478 6.6478 6.6478 6.6478 k = 0.2564 0.1480 0.2829 ( 18976 PWs) bands (ev): -43.1859 -43.1859 -43.1859 -43.1859 -43.1746 -43.1746 -43.1746 -43.1746 -42.9775 -42.9775 -42.9775 -42.9775 -5.4514 -5.4514 -5.4514 -5.4514 0.6480 0.6480 0.6480 0.6480 1.4556 1.4556 1.4556 1.4556 2.1062 2.1062 2.1062 2.1062 5.1978 5.1978 5.1978 5.1978 6.6224 6.6224 6.6224 6.6224 k = 0.2692 0.1554 0.2829 ( 18966 PWs) bands (ev): -43.1858 -43.1858 -43.1858 -43.1858 -43.1746 -43.1746 -43.1746 -43.1746 -42.9775 -42.9775 -42.9775 -42.9775 -5.4348 -5.4348 -5.4348 -5.4348 0.6040 0.6040 0.6040 0.6040 1.4353 1.4353 1.4353 1.4353 2.0663 2.0663 2.0663 2.0663 5.1389 5.1389 5.1389 5.1389 6.5933 6.5933 6.5933 6.5933 k = 0.2821 0.1628 0.2829 ( 18962 PWs) bands (ev): -43.1858 -43.1858 -43.1858 -43.1858 -43.1747 -43.1747 -43.1747 -43.1747 -42.9775 -42.9775 -42.9775 -42.9775 -5.4182 -5.4182 -5.4182 -5.4182 0.5545 0.5545 0.5545 0.5545 1.4239 1.4239 1.4239 1.4239 2.0285 2.0285 2.0285 2.0285 5.0794 5.0794 5.0794 5.0794 6.5623 6.5623 6.5623 6.5623 k = 0.2949 0.1702 0.2829 ( 18964 PWs) bands (ev): -43.1857 -43.1857 -43.1857 -43.1857 -43.1748 -43.1748 -43.1748 -43.1748 -42.9775 -42.9775 -42.9775 -42.9775 -5.4015 -5.4015 -5.4015 -5.4015 0.5009 0.5009 0.5009 0.5009 1.4198 1.4198 1.4198 1.4198 1.9928 1.9928 1.9928 1.9928 5.0195 5.0195 5.0195 5.0195 6.5305 6.5305 6.5305 6.5305 k = 0.3077 0.1776 0.2829 ( 18968 PWs) bands (ev): -43.1856 -43.1856 -43.1856 -43.1856 -43.1748 -43.1748 -43.1748 -43.1748 -42.9775 -42.9775 -42.9775 -42.9775 -5.3851 -5.3851 -5.3851 -5.3851 0.4449 0.4449 0.4449 0.4449 1.4215 1.4215 1.4215 1.4215 1.9596 1.9596 1.9596 1.9596 4.9597 4.9597 4.9597 4.9597 6.4988 6.4988 6.4988 6.4988 k = 0.3205 0.1850 0.2829 ( 18966 PWs) bands (ev): -43.1855 -43.1855 -43.1855 -43.1855 -43.1749 -43.1749 -43.1749 -43.1749 -42.9775 -42.9775 -42.9775 -42.9775 -5.3689 -5.3689 -5.3689 -5.3689 0.3881 0.3881 0.3881 0.3881 1.4275 1.4275 1.4275 1.4275 1.9289 1.9289 1.9289 1.9289 4.9005 4.9005 4.9005 4.9005 6.4680 6.4680 6.4680 6.4680 k = 0.3333 0.1925 0.2829 ( 18960 PWs) bands (ev): -43.1854 -43.1854 -43.1854 -43.1854 -43.1750 -43.1750 -43.1750 -43.1750 -42.9775 -42.9775 -42.9775 -42.9775 -5.3531 -5.3531 -5.3531 -5.3531 0.3316 0.3316 0.3316 0.3316 1.4363 1.4363 1.4363 1.4363 1.9009 1.9009 1.9009 1.9009 4.8422 4.8422 4.8422 4.8422 6.4385 6.4385 6.4385 6.4385 k = 0.3462 0.1999 0.2829 ( 18948 PWs) bands (ev): -43.1854 -43.1854 -43.1854 -43.1854 -43.1750 -43.1750 -43.1750 -43.1750 -42.9775 -42.9775 -42.9775 -42.9775 -5.3378 -5.3378 -5.3378 -5.3378 0.2764 0.2764 0.2764 0.2764 1.4470 1.4470 1.4470 1.4470 1.8759 1.8759 1.8759 1.8759 4.7854 4.7854 4.7854 4.7854 6.4108 6.4108 6.4108 6.4108 k = 0.3590 0.2073 0.2829 ( 18936 PWs) bands (ev): -43.1853 -43.1853 -43.1853 -43.1853 -43.1751 -43.1751 -43.1751 -43.1751 -42.9775 -42.9775 -42.9775 -42.9775 -5.3232 -5.3232 -5.3232 -5.3232 0.2235 0.2235 0.2235 0.2235 1.4584 1.4584 1.4584 1.4584 1.8540 1.8540 1.8540 1.8540 4.7306 4.7306 4.7306 4.7306 6.3850 6.3850 6.3850 6.3850 k = 0.3718 0.2147 0.2829 ( 18950 PWs) bands (ev): -43.1852 -43.1852 -43.1852 -43.1852 -43.1752 -43.1752 -43.1752 -43.1752 -42.9775 -42.9775 -42.9775 -42.9775 -5.3094 -5.3094 -5.3094 -5.3094 0.1734 0.1734 0.1734 0.1734 1.4697 1.4697 1.4697 1.4697 1.8354 1.8354 1.8354 1.8354 4.6783 4.6783 4.6783 4.6783 6.3614 6.3614 6.3614 6.3614 k = 0.3846 0.2221 0.2829 ( 18946 PWs) bands (ev): -43.1851 -43.1851 -43.1851 -43.1851 -43.1752 -43.1752 -43.1752 -43.1752 -42.9775 -42.9775 -42.9775 -42.9775 -5.2964 -5.2964 -5.2964 -5.2964 0.1268 0.1268 0.1268 0.1268 1.4803 1.4803 1.4803 1.4803 1.8201 1.8201 1.8201 1.8201 4.6289 4.6289 4.6289 4.6289 6.3399 6.3399 6.3399 6.3399 k = 0.3974 0.2295 0.2829 ( 18938 PWs) bands (ev): -43.1851 -43.1851 -43.1851 -43.1851 -43.1753 -43.1753 -43.1753 -43.1753 -42.9775 -42.9775 -42.9775 -42.9775 -5.2844 -5.2844 -5.2844 -5.2844 0.0840 0.0840 0.0840 0.0840 1.4895 1.4895 1.4895 1.4895 1.8082 1.8082 1.8082 1.8082 4.5831 4.5831 4.5831 4.5831 6.3208 6.3208 6.3208 6.3208 k = 0.4103 0.2369 0.2829 ( 18958 PWs) bands (ev): -43.1850 -43.1850 -43.1850 -43.1850 -43.1753 -43.1753 -43.1753 -43.1753 -42.9775 -42.9775 -42.9775 -42.9775 -5.2736 -5.2736 -5.2736 -5.2736 0.0455 0.0455 0.0455 0.0455 1.4971 1.4971 1.4971 1.4971 1.7996 1.7996 1.7996 1.7996 4.5412 4.5412 4.5412 4.5412 6.3039 6.3039 6.3039 6.3039 k = 0.4231 0.2443 0.2829 ( 18970 PWs) bands (ev): -43.1850 -43.1850 -43.1850 -43.1850 -43.1754 -43.1754 -43.1754 -43.1754 -42.9775 -42.9775 -42.9775 -42.9775 -5.2639 -5.2639 -5.2639 -5.2639 0.0115 0.0115 0.0115 0.0115 1.5028 1.5028 1.5028 1.5028 1.7939 1.7939 1.7939 1.7939 4.5038 4.5038 4.5038 4.5038 6.2893 6.2893 6.2893 6.2893 k = 0.4359 0.2517 0.2829 ( 18968 PWs) bands (ev): -43.1849 -43.1849 -43.1849 -43.1849 -43.1754 -43.1754 -43.1754 -43.1754 -42.9775 -42.9775 -42.9775 -42.9775 -5.2556 -5.2556 -5.2556 -5.2556 -0.0176 -0.0176 -0.0176 -0.0176 1.5069 1.5069 1.5069 1.5069 1.7906 1.7906 1.7906 1.7906 4.4713 4.4713 4.4713 4.4713 6.2770 6.2770 6.2770 6.2770 k = 0.4487 0.2591 0.2829 ( 18958 PWs) bands (ev): -43.1849 -43.1849 -43.1849 -43.1849 -43.1754 -43.1754 -43.1754 -43.1754 -42.9775 -42.9775 -42.9775 -42.9775 -5.2487 -5.2487 -5.2487 -5.2487 -0.0417 -0.0417 -0.0417 -0.0417 1.5096 1.5096 1.5096 1.5096 1.7891 1.7891 1.7891 1.7891 4.4441 4.4441 4.4441 4.4441 6.2670 6.2670 6.2670 6.2670 k = 0.4615 0.2665 0.2829 ( 18942 PWs) bands (ev): -43.1849 -43.1849 -43.1849 -43.1849 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2432 -5.2432 -5.2432 -5.2432 -0.0607 -0.0607 -0.0607 -0.0607 1.5111 1.5111 1.5111 1.5111 1.7888 1.7888 1.7888 1.7888 4.4226 4.4226 4.4226 4.4226 6.2592 6.2592 6.2592 6.2592 k = 0.4744 0.2739 0.2829 ( 18926 PWs) bands (ev): -43.1849 -43.1849 -43.1849 -43.1849 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2393 -5.2393 -5.2393 -5.2393 -0.0743 -0.0743 -0.0743 -0.0743 1.5120 1.5120 1.5120 1.5120 1.7891 1.7891 1.7891 1.7891 4.4070 4.4070 4.4070 4.4070 6.2537 6.2537 6.2537 6.2537 k = 0.4872 0.2813 0.2829 ( 18922 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2369 -5.2369 -5.2369 -5.2369 -0.0825 -0.0825 -0.0825 -0.0825 1.5123 1.5123 1.5123 1.5123 1.7894 1.7894 1.7894 1.7894 4.3975 4.3975 4.3975 4.3975 6.2504 6.2504 6.2504 6.2504 k = 0.5000 0.2887 0.2829 ( 18920 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2361 -5.2361 -5.2361 -5.2361 -0.0852 -0.0852 -0.0852 -0.0852 1.5124 1.5124 1.5124 1.5124 1.7896 1.7896 1.7896 1.7896 4.3944 4.3944 4.3944 4.3944 6.2492 6.2492 6.2492 6.2492 k = 0.5000 0.2887 0.2829 ( 18920 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2361 -5.2361 -5.2361 -5.2361 -0.0852 -0.0852 -0.0852 -0.0852 1.5124 1.5124 1.5124 1.5124 1.7896 1.7896 1.7896 1.7896 4.3944 4.3944 4.3944 4.3944 6.2492 6.2492 6.2492 6.2492 k = 0.4928 0.3012 0.2829 ( 18928 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2358 -5.2358 -5.2358 -5.2358 -0.0863 -0.0863 -0.0826 -0.0826 1.5053 1.5053 1.5147 1.5147 1.7842 1.7842 1.7902 1.7902 4.3974 4.3974 4.4015 4.4015 6.2521 6.2521 6.2550 6.2550 k = 0.4855 0.3138 0.2829 ( 18948 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2351 -5.2351 -5.2351 -5.2351 -0.0859 -0.0859 -0.0784 -0.0784 1.4930 1.4930 1.5119 1.5119 1.7744 1.7744 1.7867 1.7867 4.4104 4.4104 4.4185 4.4185 6.2635 6.2635 6.2692 6.2692 k = 0.4783 0.3263 0.2829 ( 18956 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2340 -5.2340 -5.2339 -5.2339 -0.0839 -0.0839 -0.0727 -0.0727 1.4748 1.4748 1.5034 1.5034 1.7616 1.7616 1.7801 1.7801 4.4327 4.4327 4.4448 4.4448 6.2836 6.2836 6.2921 6.2921 k = 0.4710 0.3389 0.2829 ( 18956 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2323 -5.2323 -5.2323 -5.2323 -0.0806 -0.0806 -0.0654 -0.0654 1.4500 1.4500 1.4882 1.4882 1.7474 1.7474 1.7721 1.7721 4.4632 4.4632 4.4793 4.4793 6.3125 6.3125 6.3238 6.3238 k = 0.4638 0.3514 0.2829 ( 18938 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2303 -5.2303 -5.2303 -5.2303 -0.0758 -0.0758 -0.0565 -0.0565 1.4180 1.4180 1.4652 1.4652 1.7342 1.7342 1.7641 1.7641 4.5005 4.5005 4.5207 4.5207 6.3504 6.3504 6.3643 6.3643 k = 0.4565 0.3640 0.2829 ( 18934 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2278 -5.2278 -5.2278 -5.2278 -0.0696 -0.0696 -0.0460 -0.0460 1.3787 1.3787 1.4339 1.4339 1.7235 1.7235 1.7575 1.7575 4.5433 4.5433 4.5675 4.5675 6.3973 6.3973 6.4134 6.4134 k = 0.4493 0.3765 0.2829 ( 18950 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2250 -5.2250 -5.2250 -5.2250 -0.0622 -0.0622 -0.0340 -0.0340 1.3327 1.3327 1.3946 1.3946 1.7162 1.7162 1.7527 1.7527 4.5901 4.5901 4.6182 4.6182 6.4529 6.4529 6.4706 6.4706 k = 0.4420 0.3891 0.2829 ( 18932 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1756 -43.1756 -43.1756 -43.1756 -42.9775 -42.9775 -42.9775 -42.9775 -5.2219 -5.2219 -5.2218 -5.2218 -0.0535 -0.0535 -0.0204 -0.0204 1.2808 1.2808 1.3487 1.3487 1.7122 1.7122 1.7501 1.7501 4.6393 4.6393 4.6713 4.6713 6.5159 6.5159 6.5337 6.5337 k = 0.4348 0.4016 0.2829 ( 18940 PWs) bands (ev): -43.1847 -43.1847 -43.1847 -43.1847 -43.1756 -43.1756 -43.1756 -43.1756 -42.9775 -42.9775 -42.9775 -42.9775 -5.2184 -5.2184 -5.2184 -5.2184 -0.0437 -0.0437 -0.0052 -0.0052 1.2242 1.2242 1.2976 1.2976 1.7110 1.7110 1.7495 1.7495 4.6897 4.6897 4.7255 4.7255 6.5808 6.5808 6.5928 6.5928 k = 0.4275 0.4142 0.2829 ( 18932 PWs) bands (ev): -43.1847 -43.1847 -43.1847 -43.1847 -43.1756 -43.1756 -43.1756 -43.1756 -42.9775 -42.9775 -42.9775 -42.9775 -5.2148 -5.2148 -5.2147 -5.2147 -0.0328 -0.0328 0.0115 0.0115 1.1641 1.1641 1.2431 1.2431 1.7120 1.7120 1.7507 1.7507 4.7401 4.7401 4.7796 4.7796 6.6061 6.6061 6.6169 6.6169 k = 0.4203 0.4267 0.2829 ( 18912 PWs) bands (ev): -43.1847 -43.1847 -43.1847 -43.1847 -43.1756 -43.1756 -43.1756 -43.1756 -42.9775 -42.9775 -42.9775 -42.9775 -5.2109 -5.2109 -5.2109 -5.2109 -0.0211 -0.0211 0.0298 0.0298 1.1016 1.1016 1.1866 1.1866 1.7147 1.7147 1.7533 1.7533 4.7895 4.7895 4.8326 4.8326 6.5483 6.5483 6.5717 6.5717 k = 0.4130 0.4393 0.2829 ( 18928 PWs) bands (ev): -43.1847 -43.1847 -43.1847 -43.1847 -43.1756 -43.1756 -43.1756 -43.1756 -42.9775 -42.9775 -42.9775 -42.9775 -5.2070 -5.2070 -5.2069 -5.2069 -0.0086 -0.0086 0.0495 0.0495 1.0379 1.0379 1.1295 1.1295 1.7186 1.7186 1.7570 1.7570 4.8372 4.8372 4.8838 4.8838 6.4684 6.4684 6.4923 6.4923 k = 0.4058 0.4518 0.2829 ( 18930 PWs) bands (ev): -43.1847 -43.1847 -43.1847 -43.1847 -43.1756 -43.1756 -43.1756 -43.1756 -42.9775 -42.9775 -42.9775 -42.9775 -5.2029 -5.2029 -5.2029 -5.2029 0.0044 0.0044 0.0706 0.0706 0.9738 0.9738 1.0729 1.0729 1.7234 1.7234 1.7616 1.7616 4.8825 4.8825 4.9324 4.9324 6.3866 6.3866 6.4093 6.4093 k = 0.3986 0.4644 0.2829 ( 18930 PWs) bands (ev): -43.1846 -43.1846 -43.1846 -43.1846 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1990 -5.1990 -5.1989 -5.1989 0.0177 0.0177 0.0930 0.0930 0.9103 0.9103 1.0179 1.0179 1.7287 1.7287 1.7667 1.7667 4.9248 4.9248 4.9780 4.9780 6.3076 6.3076 6.3287 6.3287 k = 0.3913 0.4769 0.2829 ( 18936 PWs) bands (ev): -43.1846 -43.1846 -43.1846 -43.1846 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1951 -5.1951 -5.1950 -5.1950 0.0311 0.0311 0.1167 0.1167 0.8480 0.8480 0.9654 0.9654 1.7343 1.7343 1.7723 1.7723 4.9637 4.9637 5.0201 5.0201 6.2335 6.2335 6.2527 6.2527 k = 0.3841 0.4895 0.2829 ( 18924 PWs) bands (ev): -43.1846 -43.1846 -43.1846 -43.1846 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1913 -5.1913 -5.1913 -5.1913 0.0441 0.0441 0.1415 0.1415 0.7877 0.7877 0.9164 0.9164 1.7400 1.7400 1.7779 1.7779 4.9988 4.9988 5.0584 5.0584 6.1655 6.1655 6.1827 6.1827 k = 0.3768 0.5020 0.2829 ( 18912 PWs) bands (ev): -43.1846 -43.1846 -43.1846 -43.1846 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1878 -5.1878 -5.1878 -5.1878 0.0565 0.0565 0.1670 0.1670 0.7303 0.7303 0.8718 0.8718 1.7455 1.7455 1.7834 1.7834 5.0296 5.0296 5.0923 5.0923 6.1047 6.1047 6.1197 6.1197 k = 0.3696 0.5146 0.2829 ( 18916 PWs) bands (ev): -43.1846 -43.1846 -43.1846 -43.1846 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1847 -5.1847 -5.1847 -5.1847 0.0677 0.0677 0.1930 0.1930 0.6765 0.6765 0.8325 0.8325 1.7506 1.7506 1.7885 1.7885 5.0558 5.0558 5.1215 5.1215 6.0519 6.0519 6.0647 6.0647 k = 0.3623 0.5271 0.2829 ( 18900 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1819 -5.1819 -5.1819 -5.1819 0.0773 0.0773 0.2187 0.2187 0.6274 0.6274 0.7992 0.7992 1.7552 1.7552 1.7932 1.7932 5.0770 5.0770 5.1456 5.1456 6.0081 6.0081 6.0186 6.0186 k = 0.3551 0.5397 0.2829 ( 18904 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1796 -5.1796 -5.1796 -5.1796 0.0850 0.0850 0.2429 0.2429 0.5844 0.5844 0.7727 0.7727 1.7591 1.7591 1.7971 1.7971 5.0930 5.0930 5.1640 5.1640 5.9738 5.9738 5.9823 5.9823 k = 0.3478 0.5522 0.2829 ( 18900 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1779 -5.1779 -5.1779 -5.1779 0.0904 0.0904 0.2639 0.2639 0.5499 0.5499 0.7535 0.7535 1.7620 1.7620 1.8001 1.8001 5.1038 5.1038 5.1766 5.1766 5.9495 5.9495 5.9565 5.9565 k = 0.3406 0.5648 0.2829 ( 18906 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1768 -5.1768 -5.1768 -5.1768 0.0935 0.0935 0.2785 0.2785 0.5269 0.5269 0.7420 0.7420 1.7639 1.7639 1.8020 1.8020 5.1097 5.1097 5.1837 5.1837 5.9352 5.9352 5.9412 5.9412 k = 0.3333 0.5774 0.2829 ( 18894 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1764 -5.1764 -5.1764 -5.1764 0.0944 0.0944 0.2838 0.2838 0.5188 0.5188 0.7382 0.7382 1.7646 1.7646 1.8027 1.8027 5.1115 5.1115 5.1859 5.1859 5.9306 5.9306 5.9363 5.9363 k = 0.3333 0.5774 0.2829 ( 18894 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1764 -5.1764 -5.1764 -5.1764 0.0944 0.0944 0.2838 0.2838 0.5188 0.5188 0.7382 0.7382 1.7646 1.7646 1.8027 1.8027 5.1115 5.1115 5.1859 5.1859 5.9306 5.9306 5.9363 5.9363 k = 0.3259 0.5645 0.2829 ( 18902 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1769 -5.1769 -5.1768 -5.1768 0.0936 0.0936 0.2787 0.2787 0.5269 0.5269 0.7420 0.7420 1.7639 1.7639 1.8020 1.8020 5.1101 5.1101 5.1841 5.1841 5.9351 5.9351 5.9411 5.9411 k = 0.3185 0.5517 0.2829 ( 18900 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1781 -5.1781 -5.1781 -5.1781 0.0917 0.0917 0.2664 0.2664 0.5484 0.5484 0.7531 0.7531 1.7616 1.7616 1.7996 1.7996 5.1067 5.1067 5.1796 5.1796 5.9479 5.9479 5.9547 5.9547 k = 0.3111 0.5389 0.2829 ( 18904 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1804 -5.1804 -5.1804 -5.1804 0.0896 0.0896 0.2509 0.2509 0.5791 0.5791 0.7707 0.7707 1.7577 1.7577 1.7956 1.7956 5.1026 5.1026 5.1741 5.1741 5.9678 5.9678 5.9758 5.9758 k = 0.3037 0.5260 0.2829 ( 18910 PWs) bands (ev): -43.1846 -43.1846 -43.1846 -43.1846 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1836 -5.1836 -5.1836 -5.1836 0.0880 0.0880 0.2357 0.2357 0.6161 0.6161 0.7942 0.7942 1.7521 1.7521 1.7898 1.7898 5.0992 5.0992 5.1688 5.1688 5.9937 5.9937 6.0032 6.0032 k = 0.2963 0.5132 0.2829 ( 18912 PWs) bands (ev): -43.1846 -43.1846 -43.1846 -43.1846 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1878 -5.1878 -5.1878 -5.1878 0.0877 0.0877 0.2226 0.2226 0.6572 0.6572 0.8227 0.8227 1.7448 1.7448 1.7823 1.7823 5.0974 5.0974 5.1650 5.1650 6.0245 6.0245 6.0355 6.0355 k = 0.2889 0.5004 0.2829 ( 18920 PWs) bands (ev): -43.1846 -43.1846 -43.1846 -43.1846 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1931 -5.1931 -5.1931 -5.1931 0.0896 0.0896 0.2127 0.2127 0.7016 0.7016 0.8556 0.8556 1.7358 1.7358 1.7730 1.7730 5.0982 5.0982 5.1637 5.1637 6.0593 6.0593 6.0720 6.0720 k = 0.2815 0.4875 0.2829 ( 18932 PWs) bands (ev): -43.1846 -43.1846 -43.1846 -43.1846 -43.1757 -43.1757 -43.1757 -43.1757 -42.9775 -42.9775 -42.9775 -42.9775 -5.1994 -5.1994 -5.1994 -5.1994 0.0940 0.0940 0.2067 0.2067 0.7485 0.7485 0.8922 0.8922 1.7251 1.7251 1.7620 1.7620 5.1023 5.1023 5.1655 5.1655 6.0974 6.0974 6.1115 6.1115 k = 0.2741 0.4747 0.2829 ( 18936 PWs) bands (ev): -43.1847 -43.1847 -43.1847 -43.1847 -43.1756 -43.1756 -43.1756 -43.1756 -42.9775 -42.9775 -42.9775 -42.9775 -5.2068 -5.2068 -5.2068 -5.2068 0.1016 0.1016 0.2050 0.2050 0.7974 0.7974 0.9322 0.9322 1.7130 1.7130 1.7494 1.7494 5.1100 5.1100 5.1709 5.1709 6.1379 6.1379 6.1535 6.1535 k = 0.2667 0.4619 0.2829 ( 18928 PWs) bands (ev): -43.1847 -43.1847 -43.1847 -43.1847 -43.1756 -43.1756 -43.1756 -43.1756 -42.9775 -42.9775 -42.9775 -42.9775 -5.2153 -5.2153 -5.2152 -5.2152 0.1125 0.1125 0.2077 0.2077 0.8482 0.8482 0.9749 0.9749 1.6995 1.6995 1.7355 1.7355 5.1216 5.1216 5.1803 5.1803 6.1801 6.1801 6.1971 6.1971 k = 0.2593 0.4491 0.2829 ( 18940 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2248 -5.2248 -5.2247 -5.2247 0.1271 0.1271 0.2150 0.2150 0.9004 0.9004 1.0201 1.0201 1.6849 1.6849 1.7203 1.7203 5.1374 5.1374 5.1938 5.1938 6.2234 6.2234 6.2416 6.2416 k = 0.2519 0.4362 0.2829 ( 18936 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2353 -5.2353 -5.2353 -5.2353 0.1456 0.1456 0.2267 0.2267 0.9540 0.9540 1.0673 1.0673 1.6695 1.6695 1.7042 1.7042 5.1574 5.1574 5.2115 5.2115 6.2668 6.2668 6.2861 6.2861 k = 0.2444 0.4234 0.2829 ( 18928 PWs) bands (ev): -43.1849 -43.1849 -43.1849 -43.1849 -43.1754 -43.1754 -43.1754 -43.1754 -42.9775 -42.9775 -42.9775 -42.9775 -5.2468 -5.2468 -5.2467 -5.2467 0.1679 0.1679 0.2430 0.2430 1.0087 1.0087 1.1160 1.1160 1.6537 1.6537 1.6877 1.6877 5.1814 5.1814 5.2333 5.2333 6.3094 6.3094 6.3295 6.3295 k = 0.2370 0.4106 0.2829 ( 18916 PWs) bands (ev): -43.1849 -43.1849 -43.1849 -43.1849 -43.1754 -43.1754 -43.1754 -43.1754 -42.9775 -42.9775 -42.9775 -42.9775 -5.2592 -5.2592 -5.2591 -5.2591 0.1940 0.1940 0.2636 0.2636 1.0642 1.0642 1.1659 1.1659 1.6381 1.6381 1.6711 1.6711 5.2094 5.2094 5.2590 5.2590 6.3498 6.3498 6.3704 6.3704 k = 0.2296 0.3977 0.2829 ( 18908 PWs) bands (ev): -43.1850 -43.1850 -43.1850 -43.1850 -43.1753 -43.1753 -43.1753 -43.1753 -42.9775 -42.9775 -42.9775 -42.9775 -5.2724 -5.2724 -5.2724 -5.2724 0.2239 0.2239 0.2884 0.2884 1.1201 1.1201 1.2161 1.2161 1.6236 1.6236 1.6551 1.6551 5.2412 5.2412 5.2885 5.2885 6.3866 6.3866 6.4069 6.4069 k = 0.2222 0.3849 0.2829 ( 18918 PWs) bands (ev): -43.1851 -43.1851 -43.1851 -43.1851 -43.1753 -43.1753 -43.1753 -43.1753 -42.9775 -42.9775 -42.9775 -42.9775 -5.2865 -5.2865 -5.2864 -5.2864 0.2573 0.2573 0.3170 0.3170 1.1760 1.1760 1.2657 1.2657 1.6113 1.6113 1.6405 1.6405 5.2764 5.2764 5.3215 5.3215 6.4176 6.4176 6.4369 6.4369 k = 0.2148 0.3721 0.2829 ( 18914 PWs) bands (ev): -43.1852 -43.1852 -43.1852 -43.1852 -43.1752 -43.1752 -43.1752 -43.1752 -42.9775 -42.9775 -42.9775 -42.9775 -5.3012 -5.3012 -5.3011 -5.3011 0.2941 0.2941 0.3492 0.3492 1.2309 1.2309 1.3131 1.3131 1.6032 1.6032 1.6285 1.6285 5.3147 5.3147 5.3576 5.3576 6.4406 6.4406 6.4577 6.4577 k = 0.2074 0.3592 0.2829 ( 18898 PWs) bands (ev): -43.1852 -43.1852 -43.1852 -43.1852 -43.1751 -43.1751 -43.1751 -43.1751 -42.9775 -42.9775 -42.9775 -42.9775 -5.3165 -5.3165 -5.3165 -5.3165 0.3339 0.3339 0.3846 0.3846 1.2837 1.2837 1.3554 1.3554 1.6024 1.6024 1.6207 1.6207 5.3558 5.3558 5.3963 5.3963 6.4536 6.4536 6.4671 6.4671 k = 0.2000 0.3464 0.2829 ( 18942 PWs) bands (ev): -43.1853 -43.1853 -43.1853 -43.1853 -43.1751 -43.1751 -43.1751 -43.1751 -42.9775 -42.9775 -42.9775 -42.9775 -5.3324 -5.3324 -5.3324 -5.3324 0.3762 0.3762 0.4226 0.4226 1.3323 1.3323 1.3891 1.3891 1.6129 1.6129 1.6197 1.6197 5.3991 5.3991 5.4374 5.4374 6.4551 6.4551 6.4642 6.4642 k = 0.1926 0.3336 0.2829 ( 18938 PWs) bands (ev): -43.1854 -43.1854 -43.1854 -43.1854 -43.1750 -43.1750 -43.1750 -43.1750 -42.9775 -42.9775 -42.9775 -42.9775 -5.3487 -5.3487 -5.3487 -5.3487 0.4205 0.4205 0.4626 0.4626 1.3740 1.3740 1.4113 1.4113 1.6288 1.6288 1.6380 1.6380 5.4442 5.4442 5.4802 5.4802 6.4453 6.4453 6.4497 6.4497 k = 0.1852 0.3208 0.2829 ( 18942 PWs) bands (ev): -43.1855 -43.1855 -43.1855 -43.1855 -43.1749 -43.1749 -43.1749 -43.1749 -42.9775 -42.9775 -42.9775 -42.9775 -5.3654 -5.3654 -5.3653 -5.3653 0.4660 0.4660 0.5038 0.5038 1.4065 1.4065 1.4236 1.4236 1.6511 1.6511 1.6769 1.6769 5.4907 5.4907 5.5243 5.5243 6.4255 6.4255 6.4255 6.4255 k = 0.1778 0.3079 0.2829 ( 18938 PWs) bands (ev): -43.1856 -43.1856 -43.1856 -43.1856 -43.1748 -43.1748 -43.1748 -43.1748 -42.9775 -42.9775 -42.9775 -42.9775 -5.3823 -5.3823 -5.3822 -5.3822 0.5118 0.5118 0.5453 0.5453 1.4301 1.4301 1.4307 1.4307 1.6870 1.6870 1.7256 1.7256 5.5378 5.5378 5.5691 5.5691 6.3945 6.3945 6.3982 6.3982 k = 0.1704 0.2951 0.2829 ( 18964 PWs) bands (ev): -43.1857 -43.1857 -43.1857 -43.1857 -43.1748 -43.1748 -43.1748 -43.1748 -42.9775 -42.9775 -42.9775 -42.9775 -5.3993 -5.3993 -5.3993 -5.3993 0.5569 0.5569 0.5859 0.5859 1.4371 1.4371 1.4484 1.4484 1.7339 1.7339 1.7806 1.7806 5.5851 5.5851 5.6139 5.6139 6.3590 6.3590 6.3655 6.3655 k = 0.1630 0.2823 0.2829 ( 18960 PWs) bands (ev): -43.1857 -43.1857 -43.1857 -43.1857 -43.1747 -43.1747 -43.1747 -43.1747 -42.9775 -42.9775 -42.9775 -42.9775 -5.4164 -5.4164 -5.4164 -5.4164 0.6000 0.6000 0.6246 0.6246 1.4463 1.4463 1.4658 1.4658 1.7883 1.7883 1.8393 1.8393 5.6320 5.6320 5.6582 5.6582 6.3209 6.3209 6.3294 6.3294 k = 0.1556 0.2694 0.2829 ( 18954 PWs) bands (ev): -43.1858 -43.1858 -43.1858 -43.1858 -43.1746 -43.1746 -43.1746 -43.1746 -42.9775 -42.9775 -42.9775 -42.9775 -5.4335 -5.4335 -5.4334 -5.4334 0.6397 0.6397 0.6599 0.6599 1.4609 1.4609 1.4863 1.4863 1.8474 1.8474 1.9004 1.9004 5.6778 5.6778 5.7014 5.7014 6.2817 6.2817 6.2916 6.2916 k = 0.1481 0.2566 0.2829 ( 18958 PWs) bands (ev): -43.1859 -43.1859 -43.1859 -43.1859 -43.1746 -43.1746 -43.1746 -43.1746 -42.9775 -42.9775 -42.9775 -42.9775 -5.4504 -5.4504 -5.4503 -5.4503 0.6748 0.6748 0.6909 0.6909 1.4828 1.4828 1.5125 1.5125 1.9095 1.9095 1.9629 1.9629 5.7219 5.7219 5.7427 5.7427 6.2425 6.2425 6.2532 6.2532 k = 0.1407 0.2438 0.2829 ( 18942 PWs) bands (ev): -43.1860 -43.1860 -43.1860 -43.1860 -43.1745 -43.1745 -43.1745 -43.1745 -42.9775 -42.9775 -42.9775 -42.9775 -5.4671 -5.4671 -5.4670 -5.4670 0.7042 0.7042 0.7166 0.7166 1.5133 1.5133 1.5460 1.5460 1.9732 1.9732 2.0262 2.0262 5.7638 5.7638 5.7817 5.7817 6.2040 6.2040 6.2150 6.2150 k = 0.1333 0.2309 0.2829 ( 18968 PWs) bands (ev): -43.1861 -43.1861 -43.1861 -43.1861 -43.1744 -43.1744 -43.1744 -43.1744 -42.9775 -42.9775 -42.9775 -42.9775 -5.4834 -5.4834 -5.4834 -5.4834 0.7274 0.7274 0.7366 0.7366 1.5531 1.5531 1.5878 1.5878 2.0381 2.0381 2.0900 2.0900 5.8028 5.8028 5.8178 5.8178 6.1667 6.1667 6.1777 6.1777 k = 0.1259 0.2181 0.2829 ( 18960 PWs) bands (ev): -43.1862 -43.1862 -43.1862 -43.1862 -43.1743 -43.1743 -43.1743 -43.1743 -42.9775 -42.9775 -42.9775 -42.9775 -5.4994 -5.4994 -5.4993 -5.4993 0.7443 0.7443 0.7509 0.7509 1.6021 1.6021 1.6377 1.6377 2.1034 2.1034 2.1537 2.1537 5.8386 5.8386 5.8504 5.8504 6.1310 6.1310 6.1417 6.1417 k = 0.1185 0.2053 0.2829 ( 18968 PWs) bands (ev): -43.1862 -43.1862 -43.1862 -43.1862 -43.1743 -43.1743 -43.1743 -43.1743 -42.9775 -42.9775 -42.9775 -42.9775 -5.5148 -5.5148 -5.5148 -5.5148 0.7554 0.7554 0.7600 0.7600 1.6596 1.6596 1.6954 1.6954 2.1688 2.1688 2.2172 2.2172 5.8707 5.8707 5.8793 5.8793 6.0974 6.0974 6.1074 6.1074 k = 0.1111 0.1925 0.2829 ( 18970 PWs) bands (ev): -43.1863 -43.1863 -43.1863 -43.1863 -43.1742 -43.1742 -43.1742 -43.1742 -42.9775 -42.9775 -42.9775 -42.9775 -5.5298 -5.5298 -5.5297 -5.5297 0.7615 0.7615 0.7646 0.7646 1.7246 1.7246 1.7597 1.7597 2.2340 2.2340 2.2801 2.2801 5.8987 5.8987 5.9039 5.9039 6.0662 6.0662 6.0752 6.0752 k = 0.1037 0.1796 0.2829 ( 18968 PWs) bands (ev): -43.1864 -43.1864 -43.1864 -43.1864 -43.1742 -43.1742 -43.1742 -43.1742 -42.9775 -42.9775 -42.9775 -42.9775 -5.5440 -5.5440 -5.5440 -5.5440 0.7635 0.7635 0.7656 0.7656 1.7957 1.7957 1.8294 1.8294 2.2987 2.2987 2.3422 2.3422 5.9224 5.9224 5.9239 5.9239 6.0378 6.0378 6.0454 6.0454 k = 0.0963 0.1668 0.2829 ( 18964 PWs) bands (ev): -43.1865 -43.1865 -43.1865 -43.1865 -43.1741 -43.1741 -43.1741 -43.1741 -42.9774 -42.9774 -42.9774 -42.9774 -5.5576 -5.5576 -5.5576 -5.5576 0.7624 0.7624 0.7638 0.7638 1.8714 1.8714 1.9033 1.9033 2.3627 2.3627 2.4032 2.4032 5.9382 5.9382 5.9411 5.9411 6.0134 6.0134 6.0187 6.0187 k = 0.0889 0.1540 0.2829 ( 18962 PWs) bands (ev): -43.1865 -43.1865 -43.1865 -43.1865 -43.1740 -43.1740 -43.1740 -43.1740 -42.9774 -42.9774 -42.9774 -42.9774 -5.5704 -5.5704 -5.5704 -5.5704 0.7590 0.7590 0.7599 0.7599 1.9502 1.9502 1.9798 1.9798 2.4259 2.4259 2.4630 2.4630 5.9441 5.9441 5.9524 5.9524 5.9959 5.9959 5.9976 5.9976 k = 0.0815 0.1411 0.2829 ( 18962 PWs) bands (ev): -43.1866 -43.1866 -43.1866 -43.1866 -43.1740 -43.1740 -43.1740 -43.1740 -42.9774 -42.9774 -42.9774 -42.9774 -5.5824 -5.5824 -5.5824 -5.5824 0.7541 0.7541 0.7547 0.7547 2.0306 2.0306 2.0574 2.0574 2.4879 2.4879 2.5213 2.5213 5.9377 5.9377 5.9489 5.9489 5.9895 5.9895 5.9898 5.9898 k = 0.0741 0.1283 0.2829 ( 18974 PWs) bands (ev): -43.1866 -43.1866 -43.1866 -43.1866 -43.1739 -43.1739 -43.1739 -43.1739 -42.9774 -42.9774 -42.9774 -42.9774 -5.5936 -5.5936 -5.5936 -5.5936 0.7482 0.7482 0.7486 0.7486 2.1110 2.1110 2.1346 2.1346 2.5488 2.5488 2.5781 2.5781 5.9229 5.9229 5.9329 5.9329 5.9904 5.9904 5.9930 5.9930 k = 0.0667 0.1155 0.2829 ( 18960 PWs) bands (ev): -43.1867 -43.1867 -43.1867 -43.1867 -43.1739 -43.1739 -43.1739 -43.1739 -42.9774 -42.9774 -42.9774 -42.9774 -5.6038 -5.6038 -5.6038 -5.6038 0.7418 0.7418 0.7421 0.7421 2.1897 2.1897 2.2099 2.2099 2.6083 2.6083 2.6331 2.6331 5.9059 5.9059 5.9143 5.9143 5.9925 5.9925 5.9976 5.9976 k = 0.0593 0.1026 0.2829 ( 18972 PWs) bands (ev): -43.1867 -43.1867 -43.1867 -43.1867 -43.1739 -43.1739 -43.1739 -43.1739 -42.9774 -42.9774 -42.9774 -42.9774 -5.6130 -5.6130 -5.6130 -5.6130 0.7353 0.7353 0.7355 0.7355 2.2651 2.2651 2.2815 2.2815 2.6662 2.6662 2.6864 2.6864 5.8889 5.8889 5.8959 5.8959 5.9939 5.9939 6.0007 6.0007 k = 0.0519 0.0898 0.2829 ( 18964 PWs) bands (ev): -43.1868 -43.1868 -43.1868 -43.1868 -43.1738 -43.1738 -43.1738 -43.1738 -42.9774 -42.9774 -42.9774 -42.9774 -5.6213 -5.6213 -5.6213 -5.6213 0.7291 0.7291 0.7291 0.7291 2.3354 2.3354 2.3479 2.3479 2.7221 2.7221 2.7376 2.7376 5.8721 5.8721 5.8778 5.8778 5.9941 5.9941 6.0020 6.0020 k = 0.0444 0.0770 0.2829 ( 18972 PWs) bands (ev): -43.1868 -43.1868 -43.1868 -43.1868 -43.1738 -43.1738 -43.1738 -43.1738 -42.9774 -42.9774 -42.9774 -42.9774 -5.6285 -5.6285 -5.6285 -5.6285 0.7232 0.7232 0.7233 0.7233 2.3988 2.3988 2.4077 2.4077 2.7754 2.7754 2.7863 2.7863 5.8549 5.8549 5.8595 5.8595 5.9933 5.9933 6.0018 6.0018 k = 0.0370 0.0642 0.2829 ( 18964 PWs) bands (ev): -43.1868 -43.1868 -43.1868 -43.1868 -43.1738 -43.1738 -43.1738 -43.1738 -42.9774 -42.9774 -42.9774 -42.9774 -5.6347 -5.6347 -5.6347 -5.6347 0.7180 0.7180 0.7180 0.7180 2.4539 2.4539 2.4596 2.4596 2.8248 2.8248 2.8318 2.8318 5.8364 5.8364 5.8400 5.8400 5.9918 5.9918 6.0002 6.0002 k = 0.0296 0.0513 0.2829 ( 18948 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6398 -5.6398 -5.6398 -5.6398 0.7136 0.7136 0.7136 0.7136 2.4997 2.4997 2.5028 2.5028 2.8690 2.8690 2.8729 2.8729 5.8159 5.8159 5.8183 5.8183 5.9900 5.9900 5.9975 5.9975 k = 0.0222 0.0385 0.2829 ( 18952 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6437 -5.6437 -5.6437 -5.6437 0.7100 0.7100 0.7100 0.7100 2.5354 2.5354 2.5368 2.5368 2.9061 2.9061 2.9078 2.9078 5.7937 5.7937 5.7950 5.7950 5.9881 5.9881 5.9940 5.9940 k = 0.0148 0.0257 0.2829 ( 18956 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6466 -5.6466 -5.6466 -5.6466 0.7074 0.7074 0.7074 0.7074 2.5609 2.5609 2.5613 2.5613 2.9343 2.9343 2.9348 2.9348 5.7728 5.7728 5.7732 5.7732 5.9859 5.9859 5.9892 5.9892 k = 0.0074 0.0128 0.2829 ( 18948 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6483 -5.6483 -5.6483 -5.6483 0.7058 0.7058 0.7058 0.7058 2.5760 2.5760 2.5761 2.5761 2.9518 2.9518 2.9519 2.9519 5.7575 5.7575 5.7576 5.7576 5.9827 5.9827 5.9833 5.9833 k = 0.0000 0.0000 0.2829 ( 18938 PWs) bands (ev): -43.1869 -43.1869 -43.1869 -43.1869 -43.1737 -43.1737 -43.1737 -43.1737 -42.9774 -42.9774 -42.9774 -42.9774 -5.6489 -5.6489 -5.6489 -5.6489 0.7053 0.7053 0.7053 0.7053 2.5810 2.5810 2.5810 2.5810 2.9578 2.9578 2.9578 2.9578 5.7519 5.7519 5.7519 5.7519 5.9806 5.9806 5.9806 5.9806 k = 0.5000 0.2887 0.2829 ( 18920 PWs) bands (ev): -43.1848 -43.1848 -43.1848 -43.1848 -43.1755 -43.1755 -43.1755 -43.1755 -42.9775 -42.9775 -42.9775 -42.9775 -5.2361 -5.2361 -5.2361 -5.2361 -0.0852 -0.0852 -0.0852 -0.0852 1.5124 1.5124 1.5124 1.5124 1.7896 1.7896 1.7896 1.7896 4.3944 4.3944 4.3944 4.3944 6.2492 6.2492 6.2492 6.2492 k = 0.5000 0.2887 0.2680 ( 18918 PWs) bands (ev): -43.1850 -43.1850 -43.1847 -43.1847 -43.1756 -43.1756 -43.1754 -43.1754 -42.9775 -42.9775 -42.9775 -42.9775 -5.2411 -5.2411 -5.2311 -5.2311 -0.1039 -0.1039 -0.0647 -0.0647 1.4814 1.4814 1.5410 1.5410 1.7570 1.7570 1.8210 1.8210 4.3582 4.3582 4.4363 4.4363 6.2389 6.2389 6.2637 6.2637 k = 0.5000 0.2887 0.2531 ( 18942 PWs) bands (ev): -43.1851 -43.1851 -43.1846 -43.1846 -43.1757 -43.1757 -43.1753 -43.1753 -42.9775 -42.9775 -42.9775 -42.9775 -5.2460 -5.2460 -5.2261 -5.2261 -0.1207 -0.1207 -0.0425 -0.0425 1.4487 1.4487 1.5658 1.5658 1.7247 1.7247 1.8506 1.8506 4.3291 4.3291 4.4828 4.4828 6.2318 6.2318 6.2830 6.2830 k = 0.5000 0.2887 0.2382 ( 18948 PWs) bands (ev): -43.1852 -43.1852 -43.1845 -43.1845 -43.1759 -43.1759 -43.1751 -43.1751 -42.9775 -42.9775 -42.9775 -42.9775 -5.2509 -5.2509 -5.2212 -5.2212 -0.1356 -0.1356 -0.0185 -0.0185 1.4148 1.4148 1.5840 1.5840 1.6951 1.6951 1.8781 1.8781 4.3080 4.3080 4.5326 4.5326 6.2273 6.2273 6.3080 6.3080 k = 0.5000 0.2887 0.2233 ( 18944 PWs) bands (ev): -43.1853 -43.1853 -43.1843 -43.1843 -43.1760 -43.1760 -43.1750 -43.1750 -42.9775 -42.9775 -42.9775 -42.9775 -5.2557 -5.2557 -5.2164 -5.2164 -0.1486 -0.1486 0.0070 0.0070 1.3801 1.3801 1.5895 1.5895 1.6741 1.6741 1.9038 1.9038 4.2955 4.2955 4.5841 4.5841 6.2246 6.2246 6.3396 6.3396 k = 0.5000 0.2887 0.2084 ( 18944 PWs) bands (ev): -43.1854 -43.1854 -43.1842 -43.1842 -43.1761 -43.1761 -43.1749 -43.1749 -42.9775 -42.9775 -42.9775 -42.9775 -5.2604 -5.2604 -5.2117 -5.2117 -0.1598 -0.1598 0.0339 0.0339 1.3450 1.3450 1.5767 1.5767 1.6670 1.6670 1.9281 1.9281 4.2921 4.2921 4.6360 4.6360 6.2229 6.2229 6.3786 6.3786 k = 0.5000 0.2887 0.1936 ( 18940 PWs) bands (ev): -43.1855 -43.1855 -43.1841 -43.1841 -43.1763 -43.1763 -43.1748 -43.1748 -42.9775 -42.9775 -42.9775 -42.9775 -5.2649 -5.2649 -5.2072 -5.2072 -0.1692 -0.1692 0.0620 0.0620 1.3097 1.3097 1.5521 1.5521 1.6673 1.6673 1.9516 1.9516 4.2978 4.2978 4.6871 4.6871 6.2215 6.2215 6.4257 6.4257 k = 0.5000 0.2887 0.1787 ( 18956 PWs) bands (ev): -43.1856 -43.1856 -43.1839 -43.1839 -43.1764 -43.1764 -43.1747 -43.1747 -42.9776 -42.9776 -42.9775 -42.9775 -5.2692 -5.2692 -5.2029 -5.2029 -0.1769 -0.1769 0.0910 0.0910 1.2745 1.2745 1.5238 1.5238 1.6663 1.6663 1.9749 1.9749 4.3125 4.3125 4.7361 4.7361 6.2196 6.2196 6.4815 6.4815 k = 0.5000 0.2887 0.1638 ( 18950 PWs) bands (ev): -43.1857 -43.1857 -43.1838 -43.1838 -43.1765 -43.1765 -43.1747 -43.1747 -42.9776 -42.9776 -42.9775 -42.9775 -5.2732 -5.2732 -5.1988 -5.1988 -0.1830 -0.1830 0.1207 0.1207 1.2398 1.2398 1.4957 1.4957 1.6608 1.6608 1.9983 1.9983 4.3356 4.3356 4.7822 4.7822 6.2165 6.2165 6.5454 6.5454 k = 0.5000 0.2887 0.1489 ( 18958 PWs) bands (ev): -43.1858 -43.1858 -43.1837 -43.1837 -43.1767 -43.1767 -43.1746 -43.1746 -42.9776 -42.9776 -42.9775 -42.9775 -5.2770 -5.2770 -5.1950 -5.1950 -0.1877 -0.1877 0.1507 0.1507 1.2061 1.2061 1.4690 1.4690 1.6500 1.6500 2.0219 2.0219 4.3660 4.3660 4.8245 4.8245 6.2115 6.2115 6.5155 6.5155 k = 0.5000 0.2887 0.1340 ( 18946 PWs) bands (ev): -43.1858 -43.1858 -43.1835 -43.1835 -43.1768 -43.1768 -43.1745 -43.1745 -42.9776 -42.9776 -42.9775 -42.9775 -5.2805 -5.2805 -5.1914 -5.1914 -0.1910 -0.1910 0.1806 0.1806 1.1738 1.1738 1.4446 1.4446 1.6343 1.6343 2.0454 2.0454 4.4027 4.4027 4.8625 4.8625 6.2038 6.2038 6.4326 6.4326 k = 0.5000 0.2887 0.1191 ( 18950 PWs) bands (ev): -43.1859 -43.1859 -43.1834 -43.1834 -43.1769 -43.1769 -43.1744 -43.1744 -42.9776 -42.9776 -42.9775 -42.9775 -5.2838 -5.2838 -5.1882 -5.1882 -0.1932 -0.1932 0.2099 0.2099 1.1433 1.1433 1.4228 1.4228 1.6146 1.6146 2.0684 2.0684 4.4442 4.4442 4.8961 4.8961 6.1930 6.1930 6.3565 6.3565 k = 0.5000 0.2887 0.1042 ( 18952 PWs) bands (ev): -43.1860 -43.1860 -43.1833 -43.1833 -43.1770 -43.1770 -43.1744 -43.1744 -42.9776 -42.9776 -42.9775 -42.9775 -5.2866 -5.2866 -5.1852 -5.1852 -0.1945 -0.1945 0.2381 0.2381 1.1153 1.1153 1.4036 1.4036 1.5921 1.5921 2.0903 2.0903 4.4889 4.4889 4.9250 4.9250 6.1787 6.1787 6.2881 6.2881 k = 0.5000 0.2887 0.0893 ( 18942 PWs) bands (ev): -43.1860 -43.1860 -43.1832 -43.1832 -43.1771 -43.1771 -43.1743 -43.1743 -42.9776 -42.9776 -42.9775 -42.9775 -5.2892 -5.2892 -5.1827 -5.1827 -0.1950 -0.1950 0.2646 0.2646 1.0902 1.0902 1.3872 1.3872 1.5684 1.5684 2.1106 2.1106 4.5347 4.5347 4.9495 4.9495 6.1611 6.1611 6.2279 6.2279 k = 0.5000 0.2887 0.0744 ( 18954 PWs) bands (ev): -43.1860 -43.1860 -43.1831 -43.1831 -43.1772 -43.1772 -43.1743 -43.1743 -42.9776 -42.9776 -42.9775 -42.9775 -5.2914 -5.2914 -5.1805 -5.1805 -0.1950 -0.1950 0.2886 0.2886 1.0684 1.0684 1.3736 1.3736 1.5448 1.5448 2.1287 2.1287 4.5797 4.5797 4.9696 4.9696 6.1409 6.1409 6.1764 6.1764 k = 0.5000 0.2887 0.0596 ( 18958 PWs) bands (ev): -43.1861 -43.1861 -43.1830 -43.1830 -43.1773 -43.1773 -43.1743 -43.1743 -42.9776 -42.9776 -42.9775 -42.9775 -5.2932 -5.2932 -5.1786 -5.1786 -0.1947 -0.1947 0.3096 0.3096 1.0503 1.0503 1.3627 1.3627 1.5227 1.5227 2.1442 2.1442 4.6215 4.6215 4.9856 4.9856 6.1190 6.1190 6.1343 6.1343 k = 0.5000 0.2887 0.0447 ( 18966 PWs) bands (ev): -43.1861 -43.1861 -43.1830 -43.1830 -43.1773 -43.1773 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2946 -5.2946 -5.1772 -5.1772 -0.1942 -0.1942 0.3267 0.3267 1.0360 1.0360 1.3546 1.3546 1.5036 1.5036 2.1567 2.1567 4.6576 4.6576 4.9978 4.9978 6.0948 6.0948 6.1047 6.1047 k = 0.5000 0.2887 0.0298 ( 18930 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2956 -5.2956 -5.1762 -5.1762 -0.1937 -0.1937 0.3395 0.3395 1.0258 1.0258 1.3490 1.3490 1.4888 1.4888 2.1659 2.1659 4.6856 4.6856 5.0063 5.0063 6.0723 6.0723 6.0863 6.0863 k = 0.5000 0.2887 0.0149 ( 18918 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2962 -5.2962 -5.1755 -5.1755 -0.1934 -0.1934 0.3474 0.3474 1.0197 1.0197 1.3457 1.3457 1.4794 1.4794 2.1715 2.1715 4.7034 4.7034 5.0114 5.0114 6.0578 6.0578 6.0750 6.0750 k = 0.5000 0.2887-0.0000 ( 18922 PWs) bands (ev): -43.1861 -43.1861 -43.1829 -43.1829 -43.1774 -43.1774 -43.1742 -43.1742 -42.9776 -42.9776 -42.9775 -42.9775 -5.2964 -5.2964 -5.1753 -5.1753 -0.1933 -0.1933 0.3500 0.3500 1.0176 1.0176 1.3446 1.3446 1.4762 1.4762 2.1733 2.1733 4.7095 4.7095 5.0131 5.0131 6.0530 6.0530 6.0711 6.0711 k = 0.3333 0.5774-0.0000 ( 18936 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1778 -5.1778 -5.1777 -5.1777 0.1719 0.1719 0.2251 0.2251 0.4646 0.4646 1.2994 1.2994 1.4672 1.4672 1.5612 1.5612 3.4486 3.4486 7.3670 7.3670 7.3670 7.3670 7.7552 7.7552 k = 0.3333 0.5774 0.0149 ( 18921 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1777 -5.1777 -5.1777 -5.1777 0.1731 0.1731 0.2240 0.2240 0.4632 0.4632 1.2981 1.2981 1.4693 1.4693 1.5608 1.5608 3.4554 3.4554 7.3245 7.3245 7.3254 7.3254 7.7758 7.7758 k = 0.3333 0.5774 0.0298 ( 18924 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1777 -5.1777 -5.1776 -5.1776 0.1766 0.1766 0.2209 0.2209 0.4591 0.4591 1.2939 1.2939 1.4755 1.4755 1.5601 1.5601 3.4758 3.4758 7.2283 7.2283 7.2308 7.2308 7.7388 7.7388 k = 0.3333 0.5774 0.0447 ( 18942 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1777 -5.1777 -5.1776 -5.1776 0.1824 0.1824 0.2159 0.2159 0.4526 0.4526 1.2855 1.2855 1.4856 1.4856 1.5605 1.5605 3.5092 3.5092 7.1134 7.1134 7.1172 7.1172 7.6164 7.6164 k = 0.3333 0.5774 0.0596 ( 18930 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1776 -5.1776 -5.1775 -5.1775 0.1904 0.1904 0.2092 0.2092 0.4439 0.4439 1.2717 1.2717 1.4993 1.4993 1.5636 1.5636 3.5549 3.5549 6.9938 6.9938 6.9984 6.9984 7.4714 7.4714 k = 0.3333 0.5774 0.0744 ( 18930 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1775 -5.1775 -5.1775 -5.1775 0.2006 0.2006 0.2010 0.2010 0.4335 0.4335 1.2514 1.2514 1.5162 1.5162 1.5709 1.5709 3.6118 3.6118 6.8748 6.8748 6.8799 6.8799 7.3181 7.3181 k = 0.3333 0.5774 0.0893 ( 18906 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1775 -5.1775 -5.1774 -5.1774 0.1917 0.1917 0.2129 0.2129 0.4221 0.4221 1.2245 1.2245 1.5358 1.5358 1.5828 1.5828 3.6791 3.6791 6.7589 6.7589 6.7643 6.7643 7.1608 7.1608 k = 0.3333 0.5774 0.1042 ( 18936 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1774 -5.1774 -5.1773 -5.1773 0.1815 0.1815 0.2272 0.2272 0.4101 0.4101 1.1916 1.1916 1.5575 1.5575 1.5991 1.5991 3.7556 3.7556 6.6477 6.6477 6.6531 6.6531 7.0014 7.0014 k = 0.3333 0.5774 0.1191 ( 18939 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1773 -5.1773 -5.1772 -5.1772 0.1709 0.1709 0.2430 0.2430 0.3982 0.3982 1.1539 1.1539 1.5807 1.5807 1.6188 1.6188 3.8406 3.8406 6.5421 6.5421 6.5474 6.5474 6.8411 6.8411 k = 0.3333 0.5774 0.1340 ( 18918 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1772 -5.1772 -5.1771 -5.1771 0.1601 0.1601 0.2599 0.2599 0.3875 0.3875 1.1124 1.1124 1.6049 1.6049 1.6409 1.6409 3.9330 3.9330 6.4429 6.4429 6.4478 6.4478 6.6807 6.6807 k = 0.3333 0.5774 0.1489 ( 18921 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1770 -5.1770 -5.1770 -5.1770 0.1494 0.1494 0.2767 0.2767 0.3792 0.3792 1.0685 1.0685 1.6293 1.6293 1.6644 1.6644 4.0323 4.0323 6.3508 6.3508 6.3550 6.3550 6.5211 6.5211 k = 0.3333 0.5774 0.1638 ( 18924 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1769 -5.1769 -5.1769 -5.1769 0.1391 0.1391 0.2911 0.2911 0.3759 0.3759 1.0230 1.0230 1.6533 1.6533 1.6882 1.6882 4.1376 4.1376 6.2665 6.2665 6.2687 6.2687 6.3634 6.3634 k = 0.3333 0.5774 0.1787 ( 18924 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1768 -5.1768 -5.1768 -5.1768 0.1295 0.1295 0.2997 0.2997 0.3812 0.3812 0.9769 0.9769 1.6763 1.6763 1.7114 1.7114 4.2485 4.2485 6.1797 6.1797 6.1905 6.1905 6.2181 6.2181 k = 0.3333 0.5774 0.1936 ( 18912 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9776 -42.9776 -42.9775 -42.9775 -5.1767 -5.1767 -5.1767 -5.1767 0.1207 0.1207 0.3012 0.3012 0.3962 0.3962 0.9310 0.9310 1.6977 1.6977 1.7333 1.7333 4.3644 4.3644 6.0405 6.0405 6.1233 6.1233 6.1333 6.1333 k = 0.3333 0.5774 0.2084 ( 18912 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1766 -5.1766 -5.1766 -5.1766 0.1130 0.1130 0.2984 0.2984 0.4180 0.4180 0.8861 0.8861 1.7169 1.7169 1.7531 1.7531 4.4850 4.4850 5.8879 5.8879 6.0655 6.0655 6.0731 6.0731 k = 0.3333 0.5774 0.2233 ( 18921 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1766 -5.1766 -5.1766 -5.1766 0.1065 0.1065 0.2942 0.2942 0.4433 0.4433 0.8434 0.8434 1.7334 1.7334 1.7702 1.7702 4.6098 4.6098 5.7360 5.7360 6.0176 6.0176 6.0243 6.0243 k = 0.3333 0.5774 0.2382 ( 18921 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1765 -5.1765 -5.1765 -5.1765 0.1013 0.1013 0.2900 0.2900 0.4694 0.4694 0.8042 0.8042 1.7468 1.7468 1.7841 1.7841 4.7385 4.7385 5.5861 5.5861 5.9798 5.9798 5.9860 5.9860 k = 0.3333 0.5774 0.2531 ( 18924 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1765 -5.1765 -5.1765 -5.1765 0.0975 0.0975 0.2866 0.2866 0.4936 0.4936 0.7708 0.7708 1.7566 1.7566 1.7943 1.7943 4.8705 4.8705 5.4390 5.4390 5.9526 5.9526 5.9584 5.9584 k = 0.3333 0.5774 0.2680 ( 18918 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1764 -5.1764 -5.1764 -5.1764 0.0952 0.0952 0.2845 0.2845 0.5118 0.5118 0.7471 0.7471 1.7626 1.7626 1.8006 1.8006 5.0044 5.0044 5.2960 5.2960 5.9361 5.9361 5.9418 5.9418 k = 0.3333 0.5774 0.2829 ( 18894 PWs) bands (ev): -43.1845 -43.1845 -43.1845 -43.1845 -43.1758 -43.1758 -43.1758 -43.1758 -42.9775 -42.9775 -42.9775 -42.9775 -5.1764 -5.1764 -5.1764 -5.1764 0.0944 0.0944 0.2838 0.2838 0.5188 0.5188 0.7382 0.7382 1.7646 1.7646 1.8027 1.8027 5.1115 5.1115 5.1859 5.1859 5.9306 5.9306 5.9363 5.9363 Writing output data file Li3Sb.save init_run : 0.49s CPU 0.62s WALL ( 1 calls) electrons : 232.79s CPU 234.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 232.79s CPU 234.96s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.25s WALL ( 280 calls) cegterg : 195.15s CPU 196.51s WALL ( 370 calls) Called by sum_band: Called by *egterg: h_psi : 154.85s CPU 155.92s WALL ( 6228 calls) s_psi : 7.78s CPU 7.80s WALL ( 6228 calls) g_psi : 0.59s CPU 0.63s WALL ( 5578 calls) cdiaghg : 27.59s CPU 27.65s WALL ( 5858 calls) cegterg:over : 10.48s CPU 10.54s WALL ( 5578 calls) cegterg:upda : 12.37s CPU 12.39s WALL ( 5578 calls) cegterg:last : 5.96s CPU 6.02s WALL ( 1024 calls) cdiaghg:chol : 1.76s CPU 1.67s WALL ( 5858 calls) cdiaghg:inve : 0.80s CPU 0.82s WALL ( 5858 calls) cdiaghg:para : 1.57s CPU 1.60s WALL ( 11716 calls) Called by h_psi: h_psi:vloc : 136.50s CPU 137.53s WALL ( 6228 calls) h_psi:vnl : 17.74s CPU 17.73s WALL ( 6228 calls) add_vuspsi : 8.76s CPU 8.64s WALL ( 6228 calls) General routines calbec : 8.96s CPU 9.07s WALL ( 6228 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 129.01s CPU 130.02s WALL ( 500576 calls) davcio : 0.34s CPU 0.50s WALL ( 560 calls) Parallel routines fft_scatter : 36.99s CPU 38.09s WALL ( 500591 calls) PWSCF : 4m20.39s CPU 4m34.59s WALL This run was terminated on: 20:22:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=