Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:27:49 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: ./MnAl.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 22 6 474 474 78 Max 23 23 7 479 479 85 Sum 797 797 241 17077 17077 2945 bravais-lattice index = 14 lattice parameter (alat) = 5.6238 a.u. unit-cell volume = 177.8670 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.623825 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Mn 15.00 54.93800 Mn( 1.00) Al 3.00 26.98150 Al( 1.00) 48 Sym. Ops., with inversion, found 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 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 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 407 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0000000 0.0094340 -0.0000000), wk = 0.0024570 k( 3) = ( 0.0000000 0.0188679 -0.0000000), wk = 0.0024570 k( 4) = ( 0.0000000 0.0283019 -0.0000000), wk = 0.0024570 k( 5) = ( 0.0000000 0.0377359 -0.0000000), wk = 0.0024570 k( 6) = ( 0.0000000 0.0471698 -0.0000000), wk = 0.0024570 k( 7) = ( 0.0000000 0.0566038 -0.0000000), wk = 0.0024570 k( 8) = ( 0.0000000 0.0660377 -0.0000000), wk = 0.0024570 k( 9) = ( 0.0000000 0.0754717 -0.0000000), wk = 0.0024570 k( 10) = ( 0.0000000 0.0849057 -0.0000000), wk = 0.0024570 k( 11) = ( 0.0000000 0.0943396 -0.0000000), wk = 0.0024570 k( 12) = ( 0.0000000 0.1037736 -0.0000000), wk = 0.0024570 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0024570 k( 14) = ( 0.0000000 0.1226415 -0.0000000), wk = 0.0024570 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0024570 k( 16) = ( 0.0000000 0.1415094 -0.0000000), wk = 0.0024570 k( 17) = ( 0.0000000 0.1509434 -0.0000000), wk = 0.0024570 k( 18) = ( 0.0000000 0.1603774 -0.0000000), wk = 0.0024570 k( 19) = ( 0.0000000 0.1698113 -0.0000000), wk = 0.0024570 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0024570 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0024570 k( 22) = ( 0.0000000 0.1981132 -0.0000000), wk = 0.0024570 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0024570 k( 24) = ( 0.0000000 0.2169811 -0.0000000), wk = 0.0024570 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0024570 k( 26) = ( 0.0000000 0.2358491 -0.0000000), wk = 0.0024570 k( 27) = ( 0.0000000 0.2452830 -0.0000000), wk = 0.0024570 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0024570 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0024570 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0024570 k( 31) = ( 0.0000000 0.2830189 -0.0000000), wk = 0.0024570 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0024570 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0024570 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0024570 k( 35) = ( 0.0000000 0.3207547 -0.0000000), wk = 0.0024570 k( 36) = ( 0.0000000 0.3301887 -0.0000000), wk = 0.0024570 k( 37) = ( 0.0000000 0.3396226 -0.0000000), wk = 0.0024570 k( 38) = ( 0.0000000 0.3490566 -0.0000000), wk = 0.0024570 k( 39) = ( 0.0000000 0.3584906 -0.0000000), wk = 0.0024570 k( 40) = ( 0.0000000 0.3679245 -0.0000000), wk = 0.0024570 k( 41) = ( 0.0000000 0.3773585 -0.0000000), wk = 0.0024570 k( 42) = ( 0.0000000 0.3867925 -0.0000000), wk = 0.0024570 k( 43) = ( 0.0000000 0.3962264 -0.0000000), wk = 0.0024570 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0024570 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0024570 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0024570 k( 47) = ( 0.0000000 0.4339623 -0.0000000), wk = 0.0024570 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0024570 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0024570 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0024570 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0024570 k( 52) = ( 0.0000000 0.4811321 -0.0000000), wk = 0.0024570 k( 53) = ( 0.0000000 0.4905660 -0.0000000), wk = 0.0024570 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024570 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024570 k( 56) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0024570 k( 57) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0024570 k( 58) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0024570 k( 59) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0024570 k( 60) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0024570 k( 61) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0024570 k( 62) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0024570 k( 63) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0024570 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0024570 k( 65) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0024570 k( 66) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0024570 k( 67) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0024570 k( 68) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0024570 k( 69) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0024570 k( 70) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0024570 k( 71) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0024570 k( 72) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0024570 k( 73) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0024570 k( 74) = ( 0.1792453 0.5000000 -0.0000000), wk = 0.0024570 k( 75) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0024570 k( 76) = ( 0.1981132 0.5000000 -0.0000000), wk = 0.0024570 k( 77) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0024570 k( 78) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0024570 k( 79) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0024570 k( 80) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0024570 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0024570 k( 82) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0024570 k( 83) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0024570 k( 84) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0024570 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0024570 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0024570 k( 87) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0024570 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0024570 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0024570 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0024570 k( 91) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0024570 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0024570 k( 93) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0024570 k( 94) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0024570 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0024570 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0024570 k( 97) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0024570 k( 98) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0024570 k( 99) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0024570 k( 100) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0024570 k( 101) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0024570 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0024570 k( 103) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0024570 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0024570 k( 105) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0024570 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0024570 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0024570 k( 108) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024570 k( 109) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024570 k( 110) = ( 0.4933333 0.4933333 -0.0000000), wk = 0.0024570 k( 111) = ( 0.4866667 0.4866667 -0.0000000), wk = 0.0024570 k( 112) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0024570 k( 113) = ( 0.4733333 0.4733333 -0.0000000), wk = 0.0024570 k( 114) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0024570 k( 115) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0024570 k( 116) = ( 0.4533333 0.4533333 -0.0000000), wk = 0.0024570 k( 117) = ( 0.4466667 0.4466667 -0.0000000), wk = 0.0024570 k( 118) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0024570 k( 119) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0024570 k( 120) = ( 0.4266667 0.4266667 -0.0000000), wk = 0.0024570 k( 121) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0024570 k( 122) = ( 0.4133333 0.4133333 -0.0000000), wk = 0.0024570 k( 123) = ( 0.4066667 0.4066667 -0.0000000), wk = 0.0024570 k( 124) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0024570 k( 125) = ( 0.3933333 0.3933333 -0.0000000), wk = 0.0024570 k( 126) = ( 0.3866667 0.3866667 -0.0000000), wk = 0.0024570 k( 127) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0024570 k( 128) = ( 0.3733333 0.3733333 -0.0000000), wk = 0.0024570 k( 129) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0024570 k( 130) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0024570 k( 131) = ( 0.3533333 0.3533333 -0.0000000), wk = 0.0024570 k( 132) = ( 0.3466667 0.3466667 -0.0000000), wk = 0.0024570 k( 133) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0024570 k( 134) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024570 k( 135) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0024570 k( 136) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0024570 k( 137) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0024570 k( 138) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0024570 k( 139) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0024570 k( 140) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0024570 k( 141) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0024570 k( 142) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0024570 k( 143) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0024570 k( 144) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0024570 k( 145) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0024570 k( 146) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0024570 k( 147) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0024570 k( 148) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0024570 k( 149) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0024570 k( 150) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0024570 k( 151) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0024570 k( 152) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0024570 k( 153) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0024570 k( 154) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0024570 k( 155) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0024570 k( 156) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0024570 k( 157) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0024570 k( 158) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0024570 k( 159) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024570 k( 160) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0024570 k( 161) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0024570 k( 162) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0024570 k( 163) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0024570 k( 164) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0024570 k( 165) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0024570 k( 166) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0024570 k( 167) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0024570 k( 168) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0024570 k( 169) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0024570 k( 170) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0024570 k( 171) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0024570 k( 172) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0024570 k( 173) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0024570 k( 174) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0024570 k( 175) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0024570 k( 176) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0024570 k( 177) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0024570 k( 178) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0024570 k( 179) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0024570 k( 180) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0024570 k( 181) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0024570 k( 182) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0024570 k( 183) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 186) = ( 0.0054348 0.0054348 0.0054348), wk = 0.0024570 k( 187) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0024570 k( 188) = ( 0.0163043 0.0163043 0.0163043), wk = 0.0024570 k( 189) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0024570 k( 190) = ( 0.0271739 0.0271739 0.0271739), wk = 0.0024570 k( 191) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0024570 k( 192) = ( 0.0380435 0.0380435 0.0380435), wk = 0.0024570 k( 193) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0024570 k( 194) = ( 0.0489130 0.0489130 0.0489130), wk = 0.0024570 k( 195) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0024570 k( 196) = ( 0.0597826 0.0597826 0.0597826), wk = 0.0024570 k( 197) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0024570 k( 198) = ( 0.0706522 0.0706522 0.0706522), wk = 0.0024570 k( 199) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0024570 k( 200) = ( 0.0815217 0.0815217 0.0815217), wk = 0.0024570 k( 201) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0024570 k( 202) = ( 0.0923913 0.0923913 0.0923913), wk = 0.0024570 k( 203) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0024570 k( 204) = ( 0.1032609 0.1032609 0.1032609), wk = 0.0024570 k( 205) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0024570 k( 206) = ( 0.1141304 0.1141304 0.1141304), wk = 0.0024570 k( 207) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0024570 k( 208) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024570 k( 209) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0024570 k( 210) = ( 0.1358696 0.1358696 0.1358696), wk = 0.0024570 k( 211) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0024570 k( 212) = ( 0.1467391 0.1467391 0.1467391), wk = 0.0024570 k( 213) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0024570 k( 214) = ( 0.1576087 0.1576087 0.1576087), wk = 0.0024570 k( 215) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0024570 k( 216) = ( 0.1684783 0.1684783 0.1684783), wk = 0.0024570 k( 217) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0024570 k( 218) = ( 0.1793478 0.1793478 0.1793478), wk = 0.0024570 k( 219) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0024570 k( 220) = ( 0.1902174 0.1902174 0.1902174), wk = 0.0024570 k( 221) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0024570 k( 222) = ( 0.2010870 0.2010870 0.2010870), wk = 0.0024570 k( 223) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0024570 k( 224) = ( 0.2119565 0.2119565 0.2119565), wk = 0.0024570 k( 225) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0024570 k( 226) = ( 0.2228261 0.2228261 0.2228261), wk = 0.0024570 k( 227) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0024570 k( 228) = ( 0.2336957 0.2336956 0.2336956), wk = 0.0024570 k( 229) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0024570 k( 230) = ( 0.2445652 0.2445652 0.2445652), wk = 0.0024570 k( 231) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024570 k( 232) = ( 0.2554348 0.2554348 0.2554348), wk = 0.0024570 k( 233) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0024570 k( 234) = ( 0.2663044 0.2663044 0.2663043), wk = 0.0024570 k( 235) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0024570 k( 236) = ( 0.2771739 0.2771739 0.2771739), wk = 0.0024570 k( 237) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0024570 k( 238) = ( 0.2880435 0.2880435 0.2880435), wk = 0.0024570 k( 239) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0024570 k( 240) = ( 0.2989130 0.2989130 0.2989130), wk = 0.0024570 k( 241) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0024570 k( 242) = ( 0.3097826 0.3097826 0.3097826), wk = 0.0024570 k( 243) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0024570 k( 244) = ( 0.3206522 0.3206522 0.3206522), wk = 0.0024570 k( 245) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0024570 k( 246) = ( 0.3315217 0.3315217 0.3315217), wk = 0.0024570 k( 247) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0024570 k( 248) = ( 0.3423913 0.3423913 0.3423913), wk = 0.0024570 k( 249) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0024570 k( 250) = ( 0.3532609 0.3532609 0.3532609), wk = 0.0024570 k( 251) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0024570 k( 252) = ( 0.3641304 0.3641304 0.3641304), wk = 0.0024570 k( 253) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0024570 k( 254) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024570 k( 255) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0024570 k( 256) = ( 0.3858696 0.3858696 0.3858696), wk = 0.0024570 k( 257) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0024570 k( 258) = ( 0.3967391 0.3967391 0.3967391), wk = 0.0024570 k( 259) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0024570 k( 260) = ( 0.4076087 0.4076087 0.4076087), wk = 0.0024570 k( 261) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0024570 k( 262) = ( 0.4184783 0.4184783 0.4184783), wk = 0.0024570 k( 263) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0024570 k( 264) = ( 0.4293478 0.4293478 0.4293478), wk = 0.0024570 k( 265) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0024570 k( 266) = ( 0.4402174 0.4402174 0.4402174), wk = 0.0024570 k( 267) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0024570 k( 268) = ( 0.4510870 0.4510870 0.4510870), wk = 0.0024570 k( 269) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0024570 k( 270) = ( 0.4619565 0.4619565 0.4619565), wk = 0.0024570 k( 271) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0024570 k( 272) = ( 0.4728261 0.4728261 0.4728261), wk = 0.0024570 k( 273) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0024570 k( 274) = ( 0.4836956 0.4836956 0.4836956), wk = 0.0024570 k( 275) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0024570 k( 276) = ( 0.4945652 0.4945652 0.4945652), wk = 0.0024570 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 279) = ( 0.4933333 0.5000000 0.4933333), wk = 0.0024570 k( 280) = ( 0.4866667 0.5000000 0.4866667), wk = 0.0024570 k( 281) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0024570 k( 282) = ( 0.4733333 0.5000000 0.4733333), wk = 0.0024570 k( 283) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0024570 k( 284) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0024570 k( 285) = ( 0.4533333 0.5000000 0.4533333), wk = 0.0024570 k( 286) = ( 0.4466667 0.5000000 0.4466667), wk = 0.0024570 k( 287) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0024570 k( 288) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0024570 k( 289) = ( 0.4266667 0.5000000 0.4266667), wk = 0.0024570 k( 290) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0024570 k( 291) = ( 0.4133333 0.5000000 0.4133333), wk = 0.0024570 k( 292) = ( 0.4066667 0.5000000 0.4066667), wk = 0.0024570 k( 293) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0024570 k( 294) = ( 0.3933333 0.5000000 0.3933333), wk = 0.0024570 k( 295) = ( 0.3866667 0.5000000 0.3866667), wk = 0.0024570 k( 296) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0024570 k( 297) = ( 0.3733333 0.5000000 0.3733333), wk = 0.0024570 k( 298) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0024570 k( 299) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0024570 k( 300) = ( 0.3533333 0.5000000 0.3533333), wk = 0.0024570 k( 301) = ( 0.3466667 0.5000000 0.3466667), wk = 0.0024570 k( 302) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0024570 k( 303) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0024570 k( 304) = ( 0.3266667 0.5000000 0.3266667), wk = 0.0024570 k( 305) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0024570 k( 306) = ( 0.3133333 0.5000000 0.3133333), wk = 0.0024570 k( 307) = ( 0.3066667 0.5000000 0.3066667), wk = 0.0024570 k( 308) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0024570 k( 309) = ( 0.2933333 0.5000000 0.2933333), wk = 0.0024570 k( 310) = ( 0.2866667 0.5000000 0.2866667), wk = 0.0024570 k( 311) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0024570 k( 312) = ( 0.2733333 0.5000000 0.2733333), wk = 0.0024570 k( 313) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0024570 k( 314) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0024570 k( 315) = ( 0.2533333 0.5000000 0.2533333), wk = 0.0024570 k( 316) = ( 0.2466667 0.5000000 0.2466667), wk = 0.0024570 k( 317) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0024570 k( 318) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0024570 k( 319) = ( 0.2266667 0.5000000 0.2266667), wk = 0.0024570 k( 320) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0024570 k( 321) = ( 0.2133333 0.5000000 0.2133333), wk = 0.0024570 k( 322) = ( 0.2066667 0.5000000 0.2066667), wk = 0.0024570 k( 323) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0024570 k( 324) = ( 0.1933333 0.5000000 0.1933333), wk = 0.0024570 k( 325) = ( 0.1866667 0.5000000 0.1866667), wk = 0.0024570 k( 326) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0024570 k( 327) = ( 0.1733333 0.5000000 0.1733333), wk = 0.0024570 k( 328) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0024570 k( 329) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0024570 k( 330) = ( 0.1533333 0.5000000 0.1533333), wk = 0.0024570 k( 331) = ( 0.1466667 0.5000000 0.1466667), wk = 0.0024570 k( 332) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0024570 k( 333) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0024570 k( 334) = ( 0.1266667 0.5000000 0.1266667), wk = 0.0024570 k( 335) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0024570 k( 336) = ( 0.1133333 0.5000000 0.1133333), wk = 0.0024570 k( 337) = ( 0.1066667 0.5000000 0.1066667), wk = 0.0024570 k( 338) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0024570 k( 339) = ( 0.0933333 0.5000000 0.0933333), wk = 0.0024570 k( 340) = ( 0.0866667 0.5000000 0.0866667), wk = 0.0024570 k( 341) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0024570 k( 342) = ( 0.0733333 0.5000000 0.0733333), wk = 0.0024570 k( 343) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0024570 k( 344) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0024570 k( 345) = ( 0.0533333 0.5000000 0.0533333), wk = 0.0024570 k( 346) = ( 0.0466667 0.5000000 0.0466667), wk = 0.0024570 k( 347) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0024570 k( 348) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0024570 k( 349) = ( 0.0266667 0.5000000 0.0266667), wk = 0.0024570 k( 350) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0024570 k( 351) = ( 0.0133333 0.5000000 0.0133333), wk = 0.0024570 k( 352) = ( 0.0066667 0.5000000 0.0066667), wk = 0.0024570 k( 353) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024570 k( 354) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024570 k( 355) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024570 k( 356) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024570 k( 357) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024570 k( 358) = ( 0.5000000 0.5000000 0.0377358), wk = 0.0024570 k( 359) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024570 k( 360) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024570 k( 361) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024570 k( 362) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024570 k( 363) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024570 k( 364) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024570 k( 365) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024570 k( 366) = ( 0.5000000 0.5000000 0.1132075), wk = 0.0024570 k( 367) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024570 k( 368) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024570 k( 369) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024570 k( 370) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024570 k( 371) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024570 k( 372) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024570 k( 373) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024570 k( 374) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024570 k( 375) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024570 k( 376) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024570 k( 377) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024570 k( 378) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024570 k( 379) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024570 k( 380) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024570 k( 381) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024570 k( 382) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024570 k( 383) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024570 k( 384) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024570 k( 385) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024570 k( 386) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024570 k( 387) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024570 k( 388) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024570 k( 389) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024570 k( 390) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024570 k( 391) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024570 k( 392) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024570 k( 393) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024570 k( 394) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024570 k( 395) = ( 0.5000000 0.5000000 0.3867924), wk = 0.0024570 k( 396) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024570 k( 397) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024570 k( 398) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024570 k( 399) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024570 k( 400) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024570 k( 401) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024570 k( 402) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024570 k( 403) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024570 k( 404) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024570 k( 405) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024570 k( 406) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024570 k( 407) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0000000 0.0094340 0.0000000), wk = 0.0024570 k( 3) = ( 0.0000000 0.0188679 0.0000000), wk = 0.0024570 k( 4) = ( 0.0000000 0.0283019 0.0000000), wk = 0.0024570 k( 5) = ( 0.0000000 0.0377359 0.0000000), wk = 0.0024570 k( 6) = ( 0.0000000 0.0471698 0.0000000), wk = 0.0024570 k( 7) = ( 0.0000000 0.0566038 0.0000000), wk = 0.0024570 k( 8) = ( 0.0000000 0.0660377 0.0000000), wk = 0.0024570 k( 9) = ( 0.0000000 0.0754717 0.0000000), wk = 0.0024570 k( 10) = ( 0.0000000 0.0849057 0.0000000), wk = 0.0024570 k( 11) = ( 0.0000000 0.0943396 0.0000000), wk = 0.0024570 k( 12) = ( 0.0000000 0.1037736 0.0000000), wk = 0.0024570 k( 13) = ( 0.0000000 0.1132076 0.0000000), wk = 0.0024570 k( 14) = ( 0.0000000 0.1226415 0.0000000), wk = 0.0024570 k( 15) = ( 0.0000000 0.1320755 0.0000000), wk = 0.0024570 k( 16) = ( 0.0000000 0.1415094 0.0000000), wk = 0.0024570 k( 17) = ( 0.0000000 0.1509434 0.0000000), wk = 0.0024570 k( 18) = ( 0.0000000 0.1603774 0.0000000), wk = 0.0024570 k( 19) = ( 0.0000000 0.1698113 0.0000000), wk = 0.0024570 k( 20) = ( 0.0000000 0.1792453 0.0000000), wk = 0.0024570 k( 21) = ( 0.0000000 0.1886792 0.0000000), wk = 0.0024570 k( 22) = ( 0.0000000 0.1981132 0.0000000), wk = 0.0024570 k( 23) = ( 0.0000000 0.2075472 0.0000000), wk = 0.0024570 k( 24) = ( 0.0000000 0.2169811 0.0000000), wk = 0.0024570 k( 25) = ( 0.0000000 0.2264151 0.0000000), wk = 0.0024570 k( 26) = ( 0.0000000 0.2358491 0.0000000), wk = 0.0024570 k( 27) = ( 0.0000000 0.2452830 0.0000000), wk = 0.0024570 k( 28) = ( 0.0000000 0.2547170 0.0000000), wk = 0.0024570 k( 29) = ( 0.0000000 0.2641509 0.0000000), wk = 0.0024570 k( 30) = ( 0.0000000 0.2735849 0.0000000), wk = 0.0024570 k( 31) = ( 0.0000000 0.2830189 0.0000000), wk = 0.0024570 k( 32) = ( 0.0000000 0.2924528 0.0000000), wk = 0.0024570 k( 33) = ( 0.0000000 0.3018868 0.0000000), wk = 0.0024570 k( 34) = ( 0.0000000 0.3113207 0.0000000), wk = 0.0024570 k( 35) = ( 0.0000000 0.3207547 0.0000000), wk = 0.0024570 k( 36) = ( 0.0000000 0.3301887 0.0000000), wk = 0.0024570 k( 37) = ( 0.0000000 0.3396226 0.0000000), wk = 0.0024570 k( 38) = ( 0.0000000 0.3490566 0.0000000), wk = 0.0024570 k( 39) = ( 0.0000000 0.3584906 0.0000000), wk = 0.0024570 k( 40) = ( 0.0000000 0.3679245 0.0000000), wk = 0.0024570 k( 41) = ( 0.0000000 0.3773585 0.0000000), wk = 0.0024570 k( 42) = ( 0.0000000 0.3867925 0.0000000), wk = 0.0024570 k( 43) = ( 0.0000000 0.3962264 0.0000000), wk = 0.0024570 k( 44) = ( 0.0000000 0.4056604 0.0000000), wk = 0.0024570 k( 45) = ( 0.0000000 0.4150943 0.0000000), wk = 0.0024570 k( 46) = ( 0.0000000 0.4245283 0.0000000), wk = 0.0024570 k( 47) = ( 0.0000000 0.4339623 0.0000000), wk = 0.0024570 k( 48) = ( 0.0000000 0.4433962 0.0000000), wk = 0.0024570 k( 49) = ( 0.0000000 0.4528302 0.0000000), wk = 0.0024570 k( 50) = ( 0.0000000 0.4622641 0.0000000), wk = 0.0024570 k( 51) = ( 0.0000000 0.4716981 0.0000000), wk = 0.0024570 k( 52) = ( 0.0000000 0.4811321 0.0000000), wk = 0.0024570 k( 53) = ( 0.0000000 0.4905660 0.0000000), wk = 0.0024570 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024570 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024570 k( 56) = ( 0.0094340 0.5000000 0.0000000), wk = 0.0024570 k( 57) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0024570 k( 58) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0024570 k( 59) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0024570 k( 60) = ( 0.0471698 0.5000000 0.0000000), wk = 0.0024570 k( 61) = ( 0.0566038 0.5000000 0.0000000), wk = 0.0024570 k( 62) = ( 0.0660377 0.5000000 0.0000000), wk = 0.0024570 k( 63) = ( 0.0754717 0.5000000 0.0000000), wk = 0.0024570 k( 64) = ( 0.0849057 0.5000000 0.0000000), wk = 0.0024570 k( 65) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0024570 k( 66) = ( 0.1037736 0.5000000 0.0000000), wk = 0.0024570 k( 67) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0024570 k( 68) = ( 0.1226415 0.5000000 0.0000000), wk = 0.0024570 k( 69) = ( 0.1320755 0.5000000 0.0000000), wk = 0.0024570 k( 70) = ( 0.1415094 0.5000000 0.0000000), wk = 0.0024570 k( 71) = ( 0.1509434 0.5000000 0.0000000), wk = 0.0024570 k( 72) = ( 0.1603774 0.5000000 0.0000000), wk = 0.0024570 k( 73) = ( 0.1698113 0.5000000 0.0000000), wk = 0.0024570 k( 74) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0024570 k( 75) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0024570 k( 76) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0024570 k( 77) = ( 0.2075472 0.5000000 0.0000000), wk = 0.0024570 k( 78) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0024570 k( 79) = ( 0.2264151 0.5000000 0.0000000), wk = 0.0024570 k( 80) = ( 0.2358491 0.5000000 0.0000000), wk = 0.0024570 k( 81) = ( 0.2452830 0.5000000 0.0000000), wk = 0.0024570 k( 82) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0024570 k( 83) = ( 0.2641509 0.5000000 0.0000000), wk = 0.0024570 k( 84) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0024570 k( 85) = ( 0.2830189 0.5000000 0.0000000), wk = 0.0024570 k( 86) = ( 0.2924528 0.5000000 0.0000000), wk = 0.0024570 k( 87) = ( 0.3018868 0.5000000 0.0000000), wk = 0.0024570 k( 88) = ( 0.3113207 0.5000000 0.0000000), wk = 0.0024570 k( 89) = ( 0.3207547 0.5000000 0.0000000), wk = 0.0024570 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0024570 k( 91) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0024570 k( 92) = ( 0.3490566 0.5000000 0.0000000), wk = 0.0024570 k( 93) = ( 0.3584906 0.5000000 0.0000000), wk = 0.0024570 k( 94) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0024570 k( 95) = ( 0.3773585 0.5000000 0.0000000), wk = 0.0024570 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0024570 k( 97) = ( 0.3962264 0.5000000 0.0000000), wk = 0.0024570 k( 98) = ( 0.4056604 0.5000000 0.0000000), wk = 0.0024570 k( 99) = ( 0.4150943 0.5000000 0.0000000), wk = 0.0024570 k( 100) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0024570 k( 101) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0024570 k( 102) = ( 0.4433962 0.5000000 0.0000000), wk = 0.0024570 k( 103) = ( 0.4528302 0.5000000 0.0000000), wk = 0.0024570 k( 104) = ( 0.4622641 0.5000000 0.0000000), wk = 0.0024570 k( 105) = ( 0.4716981 0.5000000 0.0000000), wk = 0.0024570 k( 106) = ( 0.4811321 0.5000000 0.0000000), wk = 0.0024570 k( 107) = ( 0.4905660 0.5000000 0.0000000), wk = 0.0024570 k( 108) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024570 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024570 k( 110) = ( 0.4933333 0.4933333 0.0000000), wk = 0.0024570 k( 111) = ( 0.4866667 0.4866667 0.0000000), wk = 0.0024570 k( 112) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0024570 k( 113) = ( 0.4733333 0.4733333 0.0000000), wk = 0.0024570 k( 114) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0024570 k( 115) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0024570 k( 116) = ( 0.4533333 0.4533333 0.0000000), wk = 0.0024570 k( 117) = ( 0.4466667 0.4466667 0.0000000), wk = 0.0024570 k( 118) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0024570 k( 119) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0024570 k( 120) = ( 0.4266667 0.4266667 0.0000000), wk = 0.0024570 k( 121) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0024570 k( 122) = ( 0.4133333 0.4133333 0.0000000), wk = 0.0024570 k( 123) = ( 0.4066667 0.4066667 0.0000000), wk = 0.0024570 k( 124) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0024570 k( 125) = ( 0.3933333 0.3933333 0.0000000), wk = 0.0024570 k( 126) = ( 0.3866667 0.3866667 0.0000000), wk = 0.0024570 k( 127) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0024570 k( 128) = ( 0.3733333 0.3733333 0.0000000), wk = 0.0024570 k( 129) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0024570 k( 130) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0024570 k( 131) = ( 0.3533333 0.3533333 0.0000000), wk = 0.0024570 k( 132) = ( 0.3466667 0.3466667 0.0000000), wk = 0.0024570 k( 133) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0024570 k( 134) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024570 k( 135) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0024570 k( 136) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0024570 k( 137) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0024570 k( 138) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0024570 k( 139) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0024570 k( 140) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0024570 k( 141) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0024570 k( 142) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0024570 k( 143) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0024570 k( 144) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024570 k( 145) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0024570 k( 146) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0024570 k( 147) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0024570 k( 148) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0024570 k( 149) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0024570 k( 150) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0024570 k( 151) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0024570 k( 152) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0024570 k( 153) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0024570 k( 154) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0024570 k( 155) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0024570 k( 156) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0024570 k( 157) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0024570 k( 158) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0024570 k( 159) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024570 k( 160) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0024570 k( 161) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0024570 k( 162) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0024570 k( 163) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0024570 k( 164) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0024570 k( 165) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0024570 k( 166) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0024570 k( 167) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0024570 k( 168) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0024570 k( 169) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0024570 k( 170) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0024570 k( 171) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0024570 k( 172) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0024570 k( 173) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0024570 k( 174) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0024570 k( 175) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0024570 k( 176) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0024570 k( 177) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0024570 k( 178) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0024570 k( 179) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0024570 k( 180) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0024570 k( 181) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0024570 k( 182) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0024570 k( 183) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 186) = ( 0.0054348 0.0054348 0.0054348), wk = 0.0024570 k( 187) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0024570 k( 188) = ( 0.0163043 0.0163043 0.0163043), wk = 0.0024570 k( 189) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0024570 k( 190) = ( 0.0271739 0.0271739 0.0271739), wk = 0.0024570 k( 191) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0024570 k( 192) = ( 0.0380435 0.0380435 0.0380435), wk = 0.0024570 k( 193) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0024570 k( 194) = ( 0.0489130 0.0489130 0.0489130), wk = 0.0024570 k( 195) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0024570 k( 196) = ( 0.0597826 0.0597826 0.0597826), wk = 0.0024570 k( 197) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0024570 k( 198) = ( 0.0706522 0.0706522 0.0706522), wk = 0.0024570 k( 199) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0024570 k( 200) = ( 0.0815217 0.0815217 0.0815217), wk = 0.0024570 k( 201) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0024570 k( 202) = ( 0.0923913 0.0923913 0.0923913), wk = 0.0024570 k( 203) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0024570 k( 204) = ( 0.1032609 0.1032609 0.1032609), wk = 0.0024570 k( 205) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0024570 k( 206) = ( 0.1141304 0.1141304 0.1141304), wk = 0.0024570 k( 207) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0024570 k( 208) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024570 k( 209) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0024570 k( 210) = ( 0.1358696 0.1358696 0.1358696), wk = 0.0024570 k( 211) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0024570 k( 212) = ( 0.1467391 0.1467391 0.1467391), wk = 0.0024570 k( 213) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0024570 k( 214) = ( 0.1576087 0.1576087 0.1576087), wk = 0.0024570 k( 215) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0024570 k( 216) = ( 0.1684783 0.1684783 0.1684783), wk = 0.0024570 k( 217) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0024570 k( 218) = ( 0.1793478 0.1793478 0.1793478), wk = 0.0024570 k( 219) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0024570 k( 220) = ( 0.1902174 0.1902174 0.1902174), wk = 0.0024570 k( 221) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0024570 k( 222) = ( 0.2010870 0.2010870 0.2010870), wk = 0.0024570 k( 223) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0024570 k( 224) = ( 0.2119565 0.2119565 0.2119565), wk = 0.0024570 k( 225) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0024570 k( 226) = ( 0.2228261 0.2228261 0.2228261), wk = 0.0024570 k( 227) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0024570 k( 228) = ( 0.2336957 0.2336957 0.2336957), wk = 0.0024570 k( 229) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0024570 k( 230) = ( 0.2445652 0.2445652 0.2445652), wk = 0.0024570 k( 231) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024570 k( 232) = ( 0.2554348 0.2554348 0.2554348), wk = 0.0024570 k( 233) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0024570 k( 234) = ( 0.2663044 0.2663044 0.2663044), wk = 0.0024570 k( 235) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0024570 k( 236) = ( 0.2771739 0.2771739 0.2771739), wk = 0.0024570 k( 237) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0024570 k( 238) = ( 0.2880435 0.2880435 0.2880435), wk = 0.0024570 k( 239) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0024570 k( 240) = ( 0.2989130 0.2989130 0.2989130), wk = 0.0024570 k( 241) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0024570 k( 242) = ( 0.3097826 0.3097826 0.3097826), wk = 0.0024570 k( 243) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0024570 k( 244) = ( 0.3206522 0.3206522 0.3206522), wk = 0.0024570 k( 245) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0024570 k( 246) = ( 0.3315217 0.3315217 0.3315217), wk = 0.0024570 k( 247) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0024570 k( 248) = ( 0.3423913 0.3423913 0.3423913), wk = 0.0024570 k( 249) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0024570 k( 250) = ( 0.3532609 0.3532609 0.3532609), wk = 0.0024570 k( 251) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0024570 k( 252) = ( 0.3641304 0.3641304 0.3641304), wk = 0.0024570 k( 253) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0024570 k( 254) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024570 k( 255) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0024570 k( 256) = ( 0.3858696 0.3858696 0.3858696), wk = 0.0024570 k( 257) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0024570 k( 258) = ( 0.3967391 0.3967391 0.3967391), wk = 0.0024570 k( 259) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0024570 k( 260) = ( 0.4076087 0.4076087 0.4076087), wk = 0.0024570 k( 261) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0024570 k( 262) = ( 0.4184783 0.4184783 0.4184783), wk = 0.0024570 k( 263) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0024570 k( 264) = ( 0.4293478 0.4293478 0.4293478), wk = 0.0024570 k( 265) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0024570 k( 266) = ( 0.4402174 0.4402174 0.4402174), wk = 0.0024570 k( 267) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0024570 k( 268) = ( 0.4510870 0.4510870 0.4510870), wk = 0.0024570 k( 269) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0024570 k( 270) = ( 0.4619565 0.4619565 0.4619565), wk = 0.0024570 k( 271) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0024570 k( 272) = ( 0.4728261 0.4728261 0.4728261), wk = 0.0024570 k( 273) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0024570 k( 274) = ( 0.4836956 0.4836956 0.4836956), wk = 0.0024570 k( 275) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0024570 k( 276) = ( 0.4945652 0.4945652 0.4945652), wk = 0.0024570 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 279) = ( 0.4933333 0.5000000 0.4933333), wk = 0.0024570 k( 280) = ( 0.4866667 0.5000000 0.4866667), wk = 0.0024570 k( 281) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0024570 k( 282) = ( 0.4733333 0.5000000 0.4733333), wk = 0.0024570 k( 283) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0024570 k( 284) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0024570 k( 285) = ( 0.4533333 0.5000000 0.4533333), wk = 0.0024570 k( 286) = ( 0.4466667 0.5000000 0.4466667), wk = 0.0024570 k( 287) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0024570 k( 288) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0024570 k( 289) = ( 0.4266667 0.5000000 0.4266667), wk = 0.0024570 k( 290) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0024570 k( 291) = ( 0.4133333 0.5000000 0.4133333), wk = 0.0024570 k( 292) = ( 0.4066667 0.5000000 0.4066667), wk = 0.0024570 k( 293) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0024570 k( 294) = ( 0.3933333 0.5000000 0.3933333), wk = 0.0024570 k( 295) = ( 0.3866667 0.5000000 0.3866667), wk = 0.0024570 k( 296) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0024570 k( 297) = ( 0.3733333 0.5000000 0.3733333), wk = 0.0024570 k( 298) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0024570 k( 299) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0024570 k( 300) = ( 0.3533333 0.5000000 0.3533333), wk = 0.0024570 k( 301) = ( 0.3466667 0.5000000 0.3466667), wk = 0.0024570 k( 302) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0024570 k( 303) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0024570 k( 304) = ( 0.3266667 0.5000000 0.3266667), wk = 0.0024570 k( 305) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0024570 k( 306) = ( 0.3133333 0.5000000 0.3133333), wk = 0.0024570 k( 307) = ( 0.3066667 0.5000000 0.3066667), wk = 0.0024570 k( 308) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0024570 k( 309) = ( 0.2933333 0.5000000 0.2933333), wk = 0.0024570 k( 310) = ( 0.2866667 0.5000000 0.2866667), wk = 0.0024570 k( 311) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0024570 k( 312) = ( 0.2733333 0.5000000 0.2733333), wk = 0.0024570 k( 313) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0024570 k( 314) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0024570 k( 315) = ( 0.2533333 0.5000000 0.2533333), wk = 0.0024570 k( 316) = ( 0.2466667 0.5000000 0.2466667), wk = 0.0024570 k( 317) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0024570 k( 318) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0024570 k( 319) = ( 0.2266667 0.5000000 0.2266667), wk = 0.0024570 k( 320) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0024570 k( 321) = ( 0.2133333 0.5000000 0.2133333), wk = 0.0024570 k( 322) = ( 0.2066667 0.5000000 0.2066667), wk = 0.0024570 k( 323) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0024570 k( 324) = ( 0.1933333 0.5000000 0.1933333), wk = 0.0024570 k( 325) = ( 0.1866667 0.5000000 0.1866667), wk = 0.0024570 k( 326) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0024570 k( 327) = ( 0.1733333 0.5000000 0.1733333), wk = 0.0024570 k( 328) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0024570 k( 329) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0024570 k( 330) = ( 0.1533333 0.5000000 0.1533333), wk = 0.0024570 k( 331) = ( 0.1466667 0.5000000 0.1466667), wk = 0.0024570 k( 332) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0024570 k( 333) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0024570 k( 334) = ( 0.1266667 0.5000000 0.1266667), wk = 0.0024570 k( 335) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0024570 k( 336) = ( 0.1133333 0.5000000 0.1133333), wk = 0.0024570 k( 337) = ( 0.1066667 0.5000000 0.1066667), wk = 0.0024570 k( 338) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0024570 k( 339) = ( 0.0933333 0.5000000 0.0933333), wk = 0.0024570 k( 340) = ( 0.0866667 0.5000000 0.0866667), wk = 0.0024570 k( 341) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0024570 k( 342) = ( 0.0733333 0.5000000 0.0733333), wk = 0.0024570 k( 343) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0024570 k( 344) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0024570 k( 345) = ( 0.0533333 0.5000000 0.0533333), wk = 0.0024570 k( 346) = ( 0.0466667 0.5000000 0.0466667), wk = 0.0024570 k( 347) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0024570 k( 348) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0024570 k( 349) = ( 0.0266667 0.5000000 0.0266667), wk = 0.0024570 k( 350) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0024570 k( 351) = ( 0.0133333 0.5000000 0.0133333), wk = 0.0024570 k( 352) = ( 0.0066667 0.5000000 0.0066667), wk = 0.0024570 k( 353) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024570 k( 354) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024570 k( 355) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024570 k( 356) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024570 k( 357) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024570 k( 358) = ( 0.5000000 0.5000000 0.0377359), wk = 0.0024570 k( 359) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024570 k( 360) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024570 k( 361) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024570 k( 362) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024570 k( 363) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024570 k( 364) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024570 k( 365) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024570 k( 366) = ( 0.5000000 0.5000000 0.1132076), wk = 0.0024570 k( 367) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024570 k( 368) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024570 k( 369) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024570 k( 370) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024570 k( 371) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024570 k( 372) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024570 k( 373) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024570 k( 374) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024570 k( 375) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024570 k( 376) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024570 k( 377) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024570 k( 378) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024570 k( 379) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024570 k( 380) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024570 k( 381) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024570 k( 382) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024570 k( 383) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024570 k( 384) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024570 k( 385) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024570 k( 386) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024570 k( 387) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024570 k( 388) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024570 k( 389) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024570 k( 390) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024570 k( 391) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024570 k( 392) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024570 k( 393) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024570 k( 394) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024570 k( 395) = ( 0.5000000 0.5000000 0.3867925), wk = 0.0024570 k( 396) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024570 k( 397) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024570 k( 398) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024570 k( 399) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024570 k( 400) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024570 k( 401) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024570 k( 402) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024570 k( 403) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024570 k( 404) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024570 k( 405) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024570 k( 406) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024570 k( 407) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 Dense grid: 17077 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 128, 26) NL pseudopotentials 0.07 Mb ( 64, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 476) G-vector shells 0.00 Mb ( 141) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 128, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 68, 2, 26) The potential is recalculated from file : ./MnAl.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.8 secs Computing kpt #: 5 total cpu time spent up to now is 1.9 secs Computing kpt #: 6 total cpu time spent up to now is 1.9 secs Computing kpt #: 7 total cpu time spent up to now is 2.0 secs Computing kpt #: 8 total cpu time spent up to now is 2.1 secs Computing kpt #: 9 total cpu time spent up to now is 2.2 secs Computing kpt #: 10 total cpu time spent up to now is 2.3 secs Computing kpt #: 11 total cpu time spent up to now is 2.4 secs Computing kpt #: 12 total cpu time spent up to now is 2.4 secs Computing kpt #: 13 total cpu time spent up to now is 2.5 secs Computing kpt #: 14 total cpu time spent up to now is 2.6 secs Computing kpt #: 15 total cpu time spent up to now is 2.7 secs Computing kpt #: 16 total cpu time spent up to now is 2.8 secs Computing kpt #: 17 total cpu time spent up to now is 2.8 secs Computing kpt #: 18 total cpu time spent up to now is 2.9 secs Computing kpt #: 19 total cpu time spent up to now is 3.0 secs Computing kpt #: 20 total cpu time spent up to now is 3.1 secs Computing kpt #: 21 total cpu time spent up to now is 3.2 secs Computing kpt #: 22 total cpu time spent up to now is 3.2 secs Computing kpt #: 23 total cpu time spent up to now is 3.3 secs Computing kpt #: 24 total cpu time spent up to now is 3.4 secs Computing kpt #: 25 total cpu time spent up to now is 3.5 secs Computing kpt #: 26 total cpu time spent up to now is 3.6 secs Computing kpt #: 27 total cpu time spent up to now is 3.6 secs Computing kpt #: 28 total cpu time spent up to now is 3.7 secs Computing kpt #: 29 total cpu time spent up to now is 3.8 secs Computing kpt #: 30 total cpu time spent up to now is 3.9 secs Computing kpt #: 31 total cpu time spent up to now is 4.0 secs Computing kpt #: 32 total cpu time spent up to now is 4.1 secs Computing kpt #: 33 total cpu time spent up to now is 4.2 secs Computing kpt #: 34 total cpu time spent up to now is 4.3 secs Computing kpt #: 35 total cpu time spent up to now is 4.4 secs Computing kpt #: 36 total cpu time spent up to now is 4.5 secs Computing kpt #: 37 total cpu time spent up to now is 4.6 secs Computing kpt #: 38 total cpu time spent up to now is 4.7 secs Computing kpt #: 39 total cpu time spent up to now is 4.8 secs Computing kpt #: 40 total cpu time spent up to now is 4.9 secs Computing kpt #: 41 total cpu time spent up to now is 5.0 secs Computing kpt #: 42 total cpu time spent up to now is 5.1 secs Computing kpt #: 43 total cpu time spent up to now is 5.2 secs Computing kpt #: 44 total cpu time spent up to now is 5.3 secs Computing kpt #: 45 total cpu time spent up to now is 5.4 secs Computing kpt #: 46 total cpu time spent up to now is 5.5 secs Computing kpt #: 47 total cpu time spent up to now is 5.6 secs Computing kpt #: 48 total cpu time spent up to now is 5.7 secs Computing kpt #: 49 total cpu time spent up to now is 5.8 secs Computing kpt #: 50 total cpu time spent up to now is 5.9 secs Computing kpt #: 51 total cpu time spent up to now is 6.1 secs Computing kpt #: 52 total cpu time spent up to now is 6.2 secs Computing kpt #: 53 total cpu time spent up to now is 6.5 secs Computing kpt #: 54 total cpu time spent up to now is 6.6 secs Computing kpt #: 55 total cpu time spent up to now is 6.8 secs Computing kpt #: 56 total cpu time spent up to now is 7.0 secs Computing kpt #: 57 total cpu time spent up to now is 7.2 secs Computing kpt #: 58 total cpu time spent up to now is 7.4 secs Computing kpt #: 59 total cpu time spent up to now is 7.5 secs Computing kpt #: 60 total cpu time spent up to now is 7.7 secs Computing kpt #: 61 total cpu time spent up to now is 7.8 secs Computing kpt #: 62 total cpu time spent up to now is 7.9 secs Computing kpt #: 63 total cpu time spent up to now is 8.0 secs Computing kpt #: 64 total cpu time spent up to now is 8.2 secs Computing kpt #: 65 total cpu time spent up to now is 8.3 secs Computing kpt #: 66 total cpu time spent up to now is 8.4 secs Computing kpt #: 67 total cpu time spent up to now is 8.5 secs Computing kpt #: 68 total cpu time spent up to now is 8.6 secs Computing kpt #: 69 total cpu time spent up to now is 8.7 secs Computing kpt #: 70 total cpu time spent up to now is 8.8 secs Computing kpt #: 71 total cpu time spent up to now is 8.9 secs Computing kpt #: 72 total cpu time spent up to now is 9.0 secs Computing kpt #: 73 total cpu time spent up to now is 9.1 secs Computing kpt #: 74 total cpu time spent up to now is 9.2 secs Computing kpt #: 75 total cpu time spent up to now is 9.3 secs Computing kpt #: 76 total cpu time spent up to now is 9.4 secs Computing kpt #: 77 total cpu time spent up to now is 9.5 secs Computing kpt #: 78 total cpu time spent up to now is 9.6 secs Computing kpt #: 79 total cpu time spent up to now is 9.7 secs Computing kpt #: 80 total cpu time spent up to now is 9.7 secs Computing kpt #: 81 total cpu time spent up to now is 9.8 secs Computing kpt #: 82 total cpu time spent up to now is 9.9 secs Computing kpt #: 83 total cpu time spent up to now is 10.0 secs Computing kpt #: 84 total cpu time spent up to now is 10.1 secs Computing kpt #: 85 total cpu time spent up to now is 10.1 secs Computing kpt #: 86 total cpu time spent up to now is 10.2 secs Computing kpt #: 87 total cpu time spent up to now is 10.3 secs Computing kpt #: 88 total cpu time spent up to now is 10.4 secs Computing kpt #: 89 total cpu time spent up to now is 10.4 secs Computing kpt #: 90 total cpu time spent up to now is 10.5 secs Computing kpt #: 91 total cpu time spent up to now is 10.6 secs Computing kpt #: 92 total cpu time spent up to now is 10.7 secs Computing kpt #: 93 total cpu time spent up to now is 10.7 secs Computing kpt #: 94 total cpu time spent up to now is 10.8 secs Computing kpt #: 95 total cpu time spent up to now is 10.9 secs Computing kpt #: 96 total cpu time spent up to now is 10.9 secs Computing kpt #: 97 total cpu time spent up to now is 11.0 secs Computing kpt #: 98 total cpu time spent up to now is 11.1 secs Computing kpt #: 99 total cpu time spent up to now is 11.2 secs Computing kpt #: 100 total cpu time spent up to now is 11.2 secs Computing kpt #: 101 total cpu time spent up to now is 11.3 secs Computing kpt #: 102 total cpu time spent up to now is 11.4 secs Computing kpt #: 103 total cpu time spent up to now is 11.4 secs Computing kpt #: 104 total cpu time spent up to now is 11.5 secs Computing kpt #: 105 total cpu time spent up to now is 11.6 secs Computing kpt #: 106 total cpu time spent up to now is 11.7 secs Computing kpt #: 107 total cpu time spent up to now is 11.7 secs Computing kpt #: 108 total cpu time spent up to now is 11.8 secs Computing kpt #: 109 total cpu time spent up to now is 11.9 secs Computing kpt #: 110 total cpu time spent up to now is 11.9 secs Computing kpt #: 111 total cpu time spent up to now is 12.0 secs Computing kpt #: 112 total cpu time spent up to now is 12.1 secs Computing kpt #: 113 total cpu time spent up to now is 12.2 secs Computing kpt #: 114 total cpu time spent up to now is 12.2 secs Computing kpt #: 115 total cpu time spent up to now is 12.3 secs Computing kpt #: 116 total cpu time spent up to now is 12.4 secs Computing kpt #: 117 total cpu time spent up to now is 12.4 secs Computing kpt #: 118 total cpu time spent up to now is 12.5 secs Computing kpt #: 119 total cpu time spent up to now is 12.6 secs Computing kpt #: 120 total cpu time spent up to now is 12.7 secs Computing kpt #: 121 total cpu time spent up to now is 12.7 secs Computing kpt #: 122 total cpu time spent up to now is 12.8 secs Computing kpt #: 123 total cpu time spent up to now is 12.9 secs Computing kpt #: 124 total cpu time spent up to now is 12.9 secs Computing kpt #: 125 total cpu time spent up to now is 13.0 secs Computing kpt #: 126 total cpu time spent up to now is 13.1 secs Computing kpt #: 127 total cpu time spent up to now is 13.2 secs Computing kpt #: 128 total cpu time spent up to now is 13.2 secs Computing kpt #: 129 total cpu time spent up to now is 13.3 secs Computing kpt #: 130 total cpu time spent up to now is 13.4 secs Computing kpt #: 131 total cpu time spent up to now is 13.5 secs Computing kpt #: 132 total cpu time spent up to now is 13.5 secs Computing kpt #: 133 total cpu time spent up to now is 13.6 secs Computing kpt #: 134 total cpu time spent up to now is 13.7 secs Computing kpt #: 135 total cpu time spent up to now is 13.8 secs Computing kpt #: 136 total cpu time spent up to now is 13.9 secs Computing kpt #: 137 total cpu time spent up to now is 14.0 secs Computing kpt #: 138 total cpu time spent up to now is 14.1 secs Computing kpt #: 139 total cpu time spent up to now is 14.2 secs Computing kpt #: 140 total cpu time spent up to now is 14.3 secs Computing kpt #: 141 total cpu time spent up to now is 14.4 secs Computing kpt #: 142 total cpu time spent up to now is 14.5 secs Computing kpt #: 143 total cpu time spent up to now is 14.6 secs Computing kpt #: 144 total cpu time spent up to now is 14.7 secs Computing kpt #: 145 total cpu time spent up to now is 14.8 secs Computing kpt #: 146 total cpu time spent up to now is 14.9 secs Computing kpt #: 147 total cpu time spent up to now is 15.0 secs Computing kpt #: 148 total cpu time spent up to now is 15.1 secs Computing kpt #: 149 total cpu time spent up to now is 15.2 secs Computing kpt #: 150 total cpu time spent up to now is 15.3 secs Computing kpt #: 151 total cpu time spent up to now is 15.3 secs Computing kpt #: 152 total cpu time spent up to now is 15.4 secs Computing kpt #: 153 total cpu time spent up to now is 15.5 secs Computing kpt #: 154 total cpu time spent up to now is 15.6 secs Computing kpt #: 155 total cpu time spent up to now is 15.7 secs Computing kpt #: 156 total cpu time spent up to now is 15.7 secs Computing kpt #: 157 total cpu time spent up to now is 15.8 secs Computing kpt #: 158 total cpu time spent up to now is 15.9 secs Computing kpt #: 159 total cpu time spent up to now is 16.0 secs Computing kpt #: 160 total cpu time spent up to now is 16.1 secs Computing kpt #: 161 total cpu time spent up to now is 16.2 secs Computing kpt #: 162 total cpu time spent up to now is 16.2 secs Computing kpt #: 163 total cpu time spent up to now is 16.3 secs Computing kpt #: 164 total cpu time spent up to now is 16.4 secs Computing kpt #: 165 total cpu time spent up to now is 16.5 secs Computing kpt #: 166 total cpu time spent up to now is 16.6 secs Computing kpt #: 167 total cpu time spent up to now is 16.7 secs Computing kpt #: 168 total cpu time spent up to now is 16.7 secs Computing kpt #: 169 total cpu time spent up to now is 16.8 secs Computing kpt #: 170 total cpu time spent up to now is 16.9 secs Computing kpt #: 171 total cpu time spent up to now is 17.0 secs Computing kpt #: 172 total cpu time spent up to now is 17.1 secs Computing kpt #: 173 total cpu time spent up to now is 17.1 secs Computing kpt #: 174 total cpu time spent up to now is 17.2 secs Computing kpt #: 175 total cpu time spent up to now is 17.3 secs Computing kpt #: 176 total cpu time spent up to now is 17.4 secs Computing kpt #: 177 total cpu time spent up to now is 17.5 secs Computing kpt #: 178 total cpu time spent up to now is 17.6 secs Computing kpt #: 179 total cpu time spent up to now is 17.6 secs Computing kpt #: 180 total cpu time spent up to now is 17.7 secs Computing kpt #: 181 total cpu time spent up to now is 17.8 secs Computing kpt #: 182 total cpu time spent up to now is 17.9 secs Computing kpt #: 183 total cpu time spent up to now is 18.0 secs Computing kpt #: 184 total cpu time spent up to now is 18.0 secs Computing kpt #: 185 total cpu time spent up to now is 18.1 secs Computing kpt #: 186 total cpu time spent up to now is 18.2 secs Computing kpt #: 187 total cpu time spent up to now is 18.3 secs Computing kpt #: 188 total cpu time spent up to now is 18.4 secs Computing kpt #: 189 total cpu time spent up to now is 18.4 secs Computing kpt #: 190 total cpu time spent up to now is 18.5 secs Computing kpt #: 191 total cpu time spent up to now is 18.6 secs Computing kpt #: 192 total cpu time spent up to now is 18.7 secs Computing kpt #: 193 total cpu time spent up to now is 18.8 secs Computing kpt #: 194 total cpu time spent up to now is 18.8 secs Computing kpt #: 195 total cpu time spent up to now is 18.9 secs Computing kpt #: 196 total cpu time spent up to now is 19.0 secs Computing kpt #: 197 total cpu time spent up to now is 19.1 secs Computing kpt #: 198 total cpu time spent up to now is 19.2 secs Computing kpt #: 199 total cpu time spent up to now is 19.2 secs Computing kpt #: 200 total cpu time spent up to now is 19.3 secs Computing kpt #: 201 total cpu time spent up to now is 19.4 secs Computing kpt #: 202 total cpu time spent up to now is 19.5 secs Computing kpt #: 203 total cpu time spent up to now is 19.6 secs Computing kpt #: 204 total cpu time spent up to now is 19.6 secs Computing kpt #: 205 total cpu time spent up to now is 19.7 secs Computing kpt #: 206 total cpu time spent up to now is 19.8 secs Computing kpt #: 207 total cpu time spent up to now is 19.9 secs Computing kpt #: 208 total cpu time spent up to now is 19.9 secs Computing kpt #: 209 total cpu time spent up to now is 20.0 secs Computing kpt #: 210 total cpu time spent up to now is 20.1 secs Computing kpt #: 211 total cpu time spent up to now is 20.2 secs Computing kpt #: 212 total cpu time spent up to now is 20.2 secs Computing kpt #: 213 total cpu time spent up to now is 20.3 secs Computing kpt #: 214 total cpu time spent up to now is 20.4 secs Computing kpt #: 215 total cpu time spent up to now is 20.5 secs Computing kpt #: 216 total cpu time spent up to now is 20.5 secs Computing kpt #: 217 total cpu time spent up to now is 20.6 secs Computing kpt #: 218 total cpu time spent up to now is 20.7 secs Computing kpt #: 219 total cpu time spent up to now is 20.8 secs Computing kpt #: 220 total cpu time spent up to now is 20.9 secs Computing kpt #: 221 total cpu time spent up to now is 20.9 secs Computing kpt #: 222 total cpu time spent up to now is 21.0 secs Computing kpt #: 223 total cpu time spent up to now is 21.1 secs Computing kpt #: 224 total cpu time spent up to now is 21.2 secs Computing kpt #: 225 total cpu time spent up to now is 21.3 secs Computing kpt #: 226 total cpu time spent up to now is 21.3 secs Computing kpt #: 227 total cpu time spent up to now is 21.4 secs Computing kpt #: 228 total cpu time spent up to now is 21.5 secs Computing kpt #: 229 total cpu time spent up to now is 21.6 secs Computing kpt #: 230 total cpu time spent up to now is 21.7 secs Computing kpt #: 231 total cpu time spent up to now is 21.8 secs Computing kpt #: 232 total cpu time spent up to now is 21.8 secs Computing kpt #: 233 total cpu time spent up to now is 21.9 secs Computing kpt #: 234 total cpu time spent up to now is 22.0 secs Computing kpt #: 235 total cpu time spent up to now is 22.1 secs Computing kpt #: 236 total cpu time spent up to now is 22.2 secs Computing kpt #: 237 total cpu time spent up to now is 22.3 secs Computing kpt #: 238 total cpu time spent up to now is 22.4 secs Computing kpt #: 239 total cpu time spent up to now is 22.4 secs Computing kpt #: 240 total cpu time spent up to now is 22.5 secs Computing kpt #: 241 total cpu time spent up to now is 22.6 secs Computing kpt #: 242 total cpu time spent up to now is 22.7 secs Computing kpt #: 243 total cpu time spent up to now is 22.8 secs Computing kpt #: 244 total cpu time spent up to now is 22.9 secs Computing kpt #: 245 total cpu time spent up to now is 23.0 secs Computing kpt #: 246 total cpu time spent up to now is 23.0 secs Computing kpt #: 247 total cpu time spent up to now is 23.1 secs Computing kpt #: 248 total cpu time spent up to now is 23.2 secs Computing kpt #: 249 total cpu time spent up to now is 23.3 secs Computing kpt #: 250 total cpu time spent up to now is 23.4 secs Computing kpt #: 251 total cpu time spent up to now is 23.5 secs Computing kpt #: 252 total cpu time spent up to now is 23.5 secs Computing kpt #: 253 total cpu time spent up to now is 23.6 secs Computing kpt #: 254 total cpu time spent up to now is 23.7 secs Computing kpt #: 255 total cpu time spent up to now is 23.8 secs Computing kpt #: 256 total cpu time spent up to now is 23.9 secs Computing kpt #: 257 total cpu time spent up to now is 23.9 secs Computing kpt #: 258 total cpu time spent up to now is 24.0 secs Computing kpt #: 259 total cpu time spent up to now is 24.1 secs Computing kpt #: 260 total cpu time spent up to now is 24.2 secs Computing kpt #: 261 total cpu time spent up to now is 24.3 secs Computing kpt #: 262 total cpu time spent up to now is 24.4 secs Computing kpt #: 263 total cpu time spent up to now is 24.5 secs Computing kpt #: 264 total cpu time spent up to now is 24.6 secs Computing kpt #: 265 total cpu time spent up to now is 24.7 secs Computing kpt #: 266 total cpu time spent up to now is 24.7 secs Computing kpt #: 267 total cpu time spent up to now is 24.8 secs Computing kpt #: 268 total cpu time spent up to now is 24.9 secs Computing kpt #: 269 total cpu time spent up to now is 25.0 secs Computing kpt #: 270 total cpu time spent up to now is 25.1 secs Computing kpt #: 271 total cpu time spent up to now is 25.2 secs Computing kpt #: 272 total cpu time spent up to now is 25.3 secs Computing kpt #: 273 total cpu time spent up to now is 25.4 secs Computing kpt #: 274 total cpu time spent up to now is 25.5 secs Computing kpt #: 275 total cpu time spent up to now is 25.6 secs Computing kpt #: 276 total cpu time spent up to now is 25.7 secs Computing kpt #: 277 total cpu time spent up to now is 25.8 secs Computing kpt #: 278 total cpu time spent up to now is 25.9 secs Computing kpt #: 279 total cpu time spent up to now is 26.0 secs Computing kpt #: 280 total cpu time spent up to now is 26.1 secs Computing kpt #: 281 total cpu time spent up to now is 26.2 secs Computing kpt #: 282 total cpu time spent up to now is 26.3 secs Computing kpt #: 283 total cpu time spent up to now is 26.4 secs Computing kpt #: 284 total cpu time spent up to now is 26.5 secs Computing kpt #: 285 total cpu time spent up to now is 26.6 secs Computing kpt #: 286 total cpu time spent up to now is 26.7 secs Computing kpt #: 287 total cpu time spent up to now is 26.8 secs Computing kpt #: 288 total cpu time spent up to now is 26.9 secs Computing kpt #: 289 total cpu time spent up to now is 27.0 secs Computing kpt #: 290 total cpu time spent up to now is 27.1 secs Computing kpt #: 291 total cpu time spent up to now is 27.2 secs Computing kpt #: 292 total cpu time spent up to now is 27.3 secs Computing kpt #: 293 total cpu time spent up to now is 27.4 secs Computing kpt #: 294 total cpu time spent up to now is 27.5 secs Computing kpt #: 295 total cpu time spent up to now is 27.6 secs Computing kpt #: 296 total cpu time spent up to now is 27.6 secs Computing kpt #: 297 total cpu time spent up to now is 27.7 secs Computing kpt #: 298 total cpu time spent up to now is 27.8 secs Computing kpt #: 299 total cpu time spent up to now is 27.9 secs Computing kpt #: 300 total cpu time spent up to now is 28.0 secs Computing kpt #: 301 total cpu time spent up to now is 28.1 secs Computing kpt #: 302 total cpu time spent up to now is 28.2 secs Computing kpt #: 303 total cpu time spent up to now is 28.3 secs Computing kpt #: 304 total cpu time spent up to now is 28.4 secs Computing kpt #: 305 total cpu time spent up to now is 28.5 secs Computing kpt #: 306 total cpu time spent up to now is 28.6 secs Computing kpt #: 307 total cpu time spent up to now is 28.7 secs Computing kpt #: 308 total cpu time spent up to now is 28.8 secs Computing kpt #: 309 total cpu time spent up to now is 28.9 secs Computing kpt #: 310 total cpu time spent up to now is 29.0 secs Computing kpt #: 311 total cpu time spent up to now is 29.1 secs Computing kpt #: 312 total cpu time spent up to now is 29.3 secs Computing kpt #: 313 total cpu time spent up to now is 29.4 secs Computing kpt #: 314 total cpu time spent up to now is 29.5 secs Computing kpt #: 315 total cpu time spent up to now is 29.6 secs Computing kpt #: 316 total cpu time spent up to now is 29.7 secs Computing kpt #: 317 total cpu time spent up to now is 29.7 secs Computing kpt #: 318 total cpu time spent up to now is 29.8 secs Computing kpt #: 319 total cpu time spent up to now is 29.9 secs Computing kpt #: 320 total cpu time spent up to now is 30.0 secs Computing kpt #: 321 total cpu time spent up to now is 30.1 secs Computing kpt #: 322 total cpu time spent up to now is 30.2 secs Computing kpt #: 323 total cpu time spent up to now is 30.3 secs Computing kpt #: 324 total cpu time spent up to now is 30.4 secs Computing kpt #: 325 total cpu time spent up to now is 30.5 secs Computing kpt #: 326 total cpu time spent up to now is 30.5 secs Computing kpt #: 327 total cpu time spent up to now is 30.6 secs Computing kpt #: 328 total cpu time spent up to now is 30.7 secs Computing kpt #: 329 total cpu time spent up to now is 30.8 secs Computing kpt #: 330 total cpu time spent up to now is 30.9 secs Computing kpt #: 331 total cpu time spent up to now is 31.0 secs Computing kpt #: 332 total cpu time spent up to now is 31.1 secs Computing kpt #: 333 total cpu time spent up to now is 31.2 secs Computing kpt #: 334 total cpu time spent up to now is 31.3 secs Computing kpt #: 335 total cpu time spent up to now is 31.4 secs Computing kpt #: 336 total cpu time spent up to now is 31.5 secs Computing kpt #: 337 total cpu time spent up to now is 31.6 secs Computing kpt #: 338 total cpu time spent up to now is 31.8 secs Computing kpt #: 339 total cpu time spent up to now is 32.0 secs Computing kpt #: 340 total cpu time spent up to now is 32.2 secs Computing kpt #: 341 total cpu time spent up to now is 32.3 secs Computing kpt #: 342 total cpu time spent up to now is 32.5 secs Computing kpt #: 343 total cpu time spent up to now is 32.7 secs Computing kpt #: 344 total cpu time spent up to now is 32.8 secs Computing kpt #: 345 total cpu time spent up to now is 33.0 secs Computing kpt #: 346 total cpu time spent up to now is 33.2 secs Computing kpt #: 347 total cpu time spent up to now is 33.4 secs Computing kpt #: 348 total cpu time spent up to now is 33.6 secs Computing kpt #: 349 total cpu time spent up to now is 33.8 secs Computing kpt #: 350 total cpu time spent up to now is 34.0 secs Computing kpt #: 351 total cpu time spent up to now is 34.1 secs Computing kpt #: 352 total cpu time spent up to now is 34.3 secs Computing kpt #: 353 total cpu time spent up to now is 34.5 secs Computing kpt #: 354 total cpu time spent up to now is 34.6 secs Computing kpt #: 355 total cpu time spent up to now is 34.6 secs Computing kpt #: 356 total cpu time spent up to now is 34.7 secs Computing kpt #: 357 total cpu time spent up to now is 34.8 secs Computing kpt #: 358 total cpu time spent up to now is 34.9 secs Computing kpt #: 359 total cpu time spent up to now is 35.3 secs Computing kpt #: 360 total cpu time spent up to now is 35.4 secs Computing kpt #: 361 total cpu time spent up to now is 35.5 secs Computing kpt #: 362 total cpu time spent up to now is 35.5 secs Computing kpt #: 363 total cpu time spent up to now is 35.6 secs Computing kpt #: 364 total cpu time spent up to now is 35.7 secs Computing kpt #: 365 total cpu time spent up to now is 35.8 secs Computing kpt #: 366 total cpu time spent up to now is 35.8 secs Computing kpt #: 367 total cpu time spent up to now is 35.9 secs Computing kpt #: 368 total cpu time spent up to now is 36.0 secs Computing kpt #: 369 total cpu time spent up to now is 36.0 secs Computing kpt #: 370 total cpu time spent up to now is 36.1 secs Computing kpt #: 371 total cpu time spent up to now is 36.2 secs Computing kpt #: 372 total cpu time spent up to now is 36.3 secs Computing kpt #: 373 total cpu time spent up to now is 36.3 secs Computing kpt #: 374 total cpu time spent up to now is 36.4 secs Computing kpt #: 375 total cpu time spent up to now is 36.5 secs Computing kpt #: 376 total cpu time spent up to now is 36.5 secs Computing kpt #: 377 total cpu time spent up to now is 36.6 secs Computing kpt #: 378 total cpu time spent up to now is 36.7 secs Computing kpt #: 379 total cpu time spent up to now is 36.8 secs Computing kpt #: 380 total cpu time spent up to now is 36.9 secs Computing kpt #: 381 total cpu time spent up to now is 36.9 secs Computing kpt #: 382 total cpu time spent up to now is 37.0 secs Computing kpt #: 383 total cpu time spent up to now is 37.1 secs Computing kpt #: 384 total cpu time spent up to now is 37.2 secs Computing kpt #: 385 total cpu time spent up to now is 37.3 secs Computing kpt #: 386 total cpu time spent up to now is 37.3 secs Computing kpt #: 387 total cpu time spent up to now is 37.4 secs Computing kpt #: 388 total cpu time spent up to now is 37.5 secs Computing kpt #: 389 total cpu time spent up to now is 37.6 secs Computing kpt #: 390 total cpu time spent up to now is 37.7 secs Computing kpt #: 391 total cpu time spent up to now is 37.8 secs Computing kpt #: 392 total cpu time spent up to now is 37.9 secs Computing kpt #: 393 total cpu time spent up to now is 38.0 secs Computing kpt #: 394 total cpu time spent up to now is 38.1 secs Computing kpt #: 395 total cpu time spent up to now is 38.2 secs Computing kpt #: 396 total cpu time spent up to now is 38.3 secs Computing kpt #: 397 total cpu time spent up to now is 38.4 secs Computing kpt #: 398 total cpu time spent up to now is 38.5 secs Computing kpt #: 399 total cpu time spent up to now is 38.5 secs Computing kpt #: 400 total cpu time spent up to now is 38.6 secs Computing kpt #: 401 total cpu time spent up to now is 38.7 secs Computing kpt #: 402 total cpu time spent up to now is 38.8 secs Computing kpt #: 403 total cpu time spent up to now is 38.9 secs Computing kpt #: 404 total cpu time spent up to now is 39.0 secs Computing kpt #: 405 total cpu time spent up to now is 39.1 secs Computing kpt #: 406 total cpu time spent up to now is 39.2 secs Computing kpt #: 407 total cpu time spent up to now is 39.3 secs ethr = 5.56E-08, avg # of iterations = 11.9 total cpu time spent up to now is 39.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -65.3126 -65.3126 -35.0734 -35.0734 -33.8683 -33.8683 -33.8683 -33.8683 2.9873 2.9873 10.8229 10.8229 10.8229 10.8229 13.2360 13.2360 13.2360 13.2360 13.3023 13.3023 18.5478 18.5478 18.6498 18.6498 18.6498 18.6498 k = 0.0000 0.0094-0.0000 ( 2108 PWs) bands (ev): -65.3123 -65.3123 -35.0734 -35.0734 -33.8683 -33.8683 -33.8683 -33.8683 2.9889 2.9889 10.8234 10.8234 10.8249 10.8249 13.2347 13.2347 13.2356 13.2356 13.3015 13.3015 18.5445 18.5445 18.6418 18.6418 18.6524 18.6524 k = 0.0000 0.0189-0.0000 ( 2108 PWs) bands (ev): -65.3123 -65.3123 -35.0735 -35.0735 -33.8684 -33.8684 -33.8682 -33.8682 2.9936 2.9936 10.8242 10.8242 10.8250 10.8250 13.2310 13.2310 13.2346 13.2346 13.2993 13.2993 18.5265 18.5265 18.6264 18.6264 18.6602 18.6602 k = 0.0000 0.0283-0.0000 ( 2108 PWs) bands (ev): -65.3122 -65.3122 -35.0736 -35.0736 -33.8686 -33.8686 -33.8682 -33.8682 3.0015 3.0015 10.8231 10.8231 10.8277 10.8277 13.2248 13.2248 13.2325 13.2325 13.2958 13.2958 18.4774 18.4774 18.6222 18.6222 18.6731 18.6731 k = 0.0000 0.0377-0.0000 ( 2108 PWs) bands (ev): -65.3122 -65.3122 -35.0737 -35.0737 -33.8689 -33.8689 -33.8682 -33.8682 3.0125 3.0125 10.8215 10.8215 10.8314 10.8314 13.2162 13.2162 13.2291 13.2291 13.2915 13.2915 18.3966 18.3966 18.6324 18.6324 18.6912 18.6912 k = 0.0000 0.0472-0.0000 ( 2108 PWs) bands (ev): -65.3121 -65.3121 -35.0738 -35.0738 -33.8693 -33.8693 -33.8681 -33.8681 3.0266 3.0266 10.8194 10.8194 10.8362 10.8362 13.2053 13.2053 13.2237 13.2237 13.2871 13.2871 18.2927 18.2927 18.6519 18.6519 18.7142 18.7142 k = 0.0000 0.0566-0.0000 ( 2108 PWs) bands (ev): -65.3119 -65.3119 -35.0740 -35.0740 -33.8697 -33.8697 -33.8681 -33.8681 3.0439 3.0439 10.8166 10.8166 10.8420 10.8420 13.1922 13.1922 13.2157 13.2157 13.2833 13.2833 18.1715 18.1715 18.6780 18.6780 18.7423 18.7423 k = 0.0000 0.0660-0.0000 ( 2116 PWs) bands (ev): -65.3136 -65.3136 -35.0742 -35.0742 -33.8704 -33.8704 -33.8680 -33.8680 3.0641 3.0641 10.8005 10.8005 10.8484 10.8484 13.1722 13.1722 13.2010 13.2010 13.2797 13.2797 18.0355 18.0355 18.7098 18.7098 18.7752 18.7752 k = 0.0000 0.0755-0.0000 ( 2116 PWs) bands (ev): -65.3135 -65.3135 -35.0745 -35.0745 -33.8710 -33.8710 -33.8679 -33.8679 3.0876 3.0876 10.7958 10.7958 10.8562 10.8562 13.1547 13.1547 13.1867 13.1867 13.2785 13.2785 17.8906 17.8906 18.7468 18.7468 18.8129 18.8129 k = 0.0000 0.0849-0.0000 ( 2124 PWs) bands (ev): -65.3152 -65.3152 -35.0748 -35.0748 -33.8717 -33.8717 -33.8679 -33.8679 3.1141 3.1141 10.7881 10.7881 10.8635 10.8635 13.1239 13.1239 13.1590 13.1590 13.2752 13.2752 17.7380 17.7380 18.7883 18.7883 18.8549 18.8549 k = 0.0000 0.0943-0.0000 ( 2132 PWs) bands (ev): -65.3168 -65.3168 -35.0751 -35.0751 -33.8725 -33.8725 -33.8678 -33.8678 3.1436 3.1436 10.7810 10.7810 10.8696 10.8696 13.0918 13.0918 13.1288 13.1288 13.2723 13.2723 17.5803 17.5803 18.8344 18.8344 18.9013 18.9013 k = 0.0000 0.1038-0.0000 ( 2132 PWs) bands (ev): -65.3167 -65.3167 -35.0755 -35.0755 -33.8734 -33.8734 -33.8677 -33.8677 3.1764 3.1764 10.7726 10.7726 10.8802 10.8802 13.0688 13.0688 13.1068 13.1068 13.2737 13.2737 17.4190 17.4190 18.8853 18.8853 18.9524 18.9524 k = 0.0000 0.1132-0.0000 ( 2132 PWs) bands (ev): -65.3165 -65.3165 -35.0758 -35.0758 -33.8742 -33.8742 -33.8676 -33.8676 3.2123 3.2123 10.7625 10.7625 10.8918 10.8918 13.0443 13.0443 13.0830 13.0830 13.2756 13.2756 17.2557 17.2557 18.9405 18.9405 19.0078 19.0078 k = 0.0000 0.1226-0.0000 ( 2140 PWs) bands (ev): -65.3182 -65.3182 -35.0762 -35.0762 -33.8753 -33.8753 -33.8675 -33.8675 3.2510 3.2510 10.7423 10.7423 10.8999 10.8999 13.0136 13.0136 13.0530 13.0530 13.2778 13.2778 17.0889 17.0889 18.9996 18.9996 19.0670 19.0670 k = 0.0000 0.1321-0.0000 ( 2140 PWs) bands (ev): -65.3180 -65.3180 -35.0766 -35.0766 -33.8763 -33.8763 -33.8674 -33.8674 3.2930 3.2930 10.7281 10.7281 10.9131 10.9131 12.9864 12.9864 13.0264 13.0264 13.2804 13.2804 16.9249 16.9249 19.0630 19.0630 19.1305 19.1305 k = 0.0000 0.1415-0.0000 ( 2148 PWs) bands (ev): -65.3197 -65.3197 -35.0771 -35.0771 -33.8774 -33.8774 -33.8673 -33.8673 3.3379 3.3379 10.7050 10.7050 10.9262 10.9262 12.9493 12.9493 12.9897 12.9897 13.2828 13.2828 16.7600 16.7600 19.1296 19.1296 19.1972 19.1972 k = 0.0000 0.1509-0.0000 ( 2140 PWs) bands (ev): -65.3177 -65.3177 -35.0775 -35.0775 -33.8784 -33.8784 -33.8671 -33.8671 3.3861 3.3861 10.6936 10.6936 10.9411 10.9411 12.9273 12.9273 12.9679 12.9679 13.2869 13.2869 16.6033 16.6033 19.2010 19.2010 19.2685 19.2685 k = 0.0000 0.1604-0.0000 ( 2140 PWs) bands (ev): -65.3175 -65.3175 -35.0780 -35.0780 -33.8796 -33.8796 -33.8670 -33.8670 3.4371 3.4371 10.6708 10.6708 10.9565 10.9565 12.8971 12.8971 12.9379 12.9379 13.2902 13.2902 16.4459 16.4459 19.2755 19.2755 19.3431 19.3431 k = 0.0000 0.1698-0.0000 ( 2140 PWs) bands (ev): -65.3173 -65.3173 -35.0785 -35.0785 -33.8808 -33.8808 -33.8668 -33.8668 3.4911 3.4911 10.6446 10.6446 10.9727 10.9727 12.8663 12.8663 12.9072 12.9072 13.2938 13.2938 16.2922 16.2922 19.3534 19.3534 19.4210 19.4210 k = 0.0000 0.1792-0.0000 ( 2132 PWs) bands (ev): -65.3153 -65.3153 -35.0789 -35.0789 -33.8820 -33.8820 -33.8666 -33.8666 3.5483 3.5483 10.6171 10.6171 10.9916 10.9916 12.8454 12.8454 12.8863 12.8863 13.2981 13.2981 16.1442 16.1442 19.4355 19.4355 19.5031 19.5031 k = 0.0000 0.1887-0.0000 ( 2132 PWs) bands (ev): -65.3152 -65.3152 -35.0795 -35.0795 -33.8832 -33.8832 -33.8665 -33.8665 3.6082 3.6082 10.5830 10.5830 11.0090 11.0090 12.8134 12.8134 12.8545 12.8545 13.3020 13.3020 15.9999 15.9999 19.5200 19.5200 19.5876 19.5876 k = 0.0000 0.1981-0.0000 ( 2140 PWs) bands (ev): -65.3168 -65.3168 -35.0800 -35.0800 -33.8846 -33.8846 -33.8663 -33.8663 3.6709 3.6709 10.5444 10.5444 11.0266 11.0266 12.7716 12.7716 12.8127 12.8127 13.2970 13.2970 15.8611 15.8611 19.6066 19.6066 19.6741 19.6741 k = 0.0000 0.2075-0.0000 ( 2132 PWs) bands (ev): -65.3148 -65.3148 -35.0806 -35.0806 -33.8858 -33.8858 -33.8661 -33.8661 3.7368 3.7368 10.5014 10.5014 11.0494 11.0494 12.7496 12.7496 12.7907 12.7907 13.3018 13.3018 15.7283 15.7283 19.6981 19.6981 19.7656 19.7656 k = 0.0000 0.2170-0.0000 ( 2136 PWs) bands (ev): -65.3155 -65.3155 -35.0811 -35.0811 -33.8872 -33.8872 -33.8659 -33.8659 3.8053 3.8053 10.4506 10.4506 11.0682 11.0682 12.7128 12.7128 12.7539 12.7539 13.3050 13.3050 15.6000 15.6000 19.7909 19.7909 19.8584 19.8584 k = 0.0000 0.2264-0.0000 ( 2136 PWs) bands (ev): -65.3153 -65.3153 -35.0817 -35.0817 -33.8886 -33.8886 -33.8658 -33.8658 3.8767 3.8767 10.3970 10.3970 11.0873 11.0873 12.6803 12.6803 12.7215 12.7215 13.3091 13.3091 15.4801 15.4801 19.8870 19.8870 19.9544 19.9544 k = 0.0000 0.2358-0.0000 ( 2136 PWs) bands (ev): -65.3152 -65.3152 -35.0823 -35.0823 -33.8900 -33.8900 -33.8656 -33.8656 3.9509 3.9509 10.3380 10.3380 11.1068 11.1068 12.6481 12.6481 12.6893 12.6893 13.3134 13.3134 15.3673 15.3673 19.9858 19.9858 20.0531 20.0531 k = 0.0000 0.2453-0.0000 ( 2144 PWs) bands (ev): -65.3168 -65.3168 -35.0829 -35.0829 -33.8914 -33.8914 -33.8655 -33.8655 4.0279 4.0279 10.2715 10.2715 11.1261 11.1261 12.6144 12.6144 12.6556 12.6556 13.2968 13.2968 15.2576 15.2576 20.0868 20.0868 20.1541 20.1541 k = 0.0000 0.2547-0.0000 ( 2148 PWs) bands (ev): -65.3175 -65.3175 -35.0835 -35.0835 -33.8927 -33.8927 -33.8653 -33.8653 4.1077 4.1077 10.1990 10.1990 11.1385 11.1385 12.5857 12.5857 12.6269 12.6269 13.2958 13.2958 15.1548 15.1548 20.1907 20.1907 20.2578 20.2578 k = 0.0000 0.2642-0.0000 ( 2148 PWs) bands (ev): -65.3174 -65.3174 -35.0841 -35.0841 -33.8941 -33.8941 -33.8652 -33.8652 4.1903 4.1903 10.1227 10.1227 11.1583 11.1583 12.5545 12.5545 12.5956 12.5956 13.2998 13.2998 15.0635 15.0635 20.2969 20.2969 20.3639 20.3639 k = 0.0000 0.2736-0.0000 ( 2148 PWs) bands (ev): -65.3173 -65.3173 -35.0847 -35.0847 -33.8955 -33.8955 -33.8650 -33.8650 4.2755 4.2755 10.0406 10.0406 11.1782 11.1782 12.5239 12.5239 12.5650 12.5650 13.3039 13.3039 14.9795 14.9795 20.4054 20.4054 20.4723 20.4723 k = 0.0000 0.2830-0.0000 ( 2148 PWs) bands (ev): -65.3171 -65.3171 -35.0852 -35.0852 -33.8968 -33.8968 -33.8648 -33.8648 4.3633 4.3633 9.9529 9.9529 11.1981 11.1981 12.4941 12.4941 12.5352 12.5352 13.3079 13.3079 14.9030 14.9030 20.5161 20.5161 20.5829 20.5829 k = 0.0000 0.2925-0.0000 ( 2148 PWs) bands (ev): -65.3170 -65.3170 -35.0858 -35.0858 -33.8981 -33.8981 -33.8646 -33.8646 4.4538 4.4538 9.8595 9.8595 11.2178 11.2178 12.4650 12.4650 12.5061 12.5061 13.3120 13.3120 14.8335 14.8335 20.6291 20.6291 20.6958 20.6958 k = 0.0000 0.3019-0.0000 ( 2140 PWs) bands (ev): -65.3151 -65.3151 -35.0863 -35.0863 -33.8994 -33.8994 -33.8644 -33.8644 4.5470 4.5470 9.7617 9.7617 11.2476 11.2476 12.4417 12.4417 12.4827 12.4827 13.3160 13.3160 14.7745 14.7745 20.7449 20.7449 20.8115 20.8115 k = 0.0000 0.3113-0.0000 ( 2140 PWs) bands (ev): -65.3149 -65.3149 -35.0869 -35.0869 -33.9007 -33.9007 -33.8642 -33.8642 4.6426 4.6426 9.6579 9.6579 11.2669 11.2669 12.4144 12.4144 12.4553 12.4553 13.3200 13.3200 14.7187 14.7187 20.8621 20.8621 20.9285 20.9285 k = 0.0000 0.3208-0.0000 ( 2148 PWs) bands (ev): -65.3166 -65.3166 -35.0875 -35.0875 -33.9020 -33.9020 -33.8641 -33.8641 4.7404 4.7404 9.5433 9.5433 11.2859 11.2859 12.3851 12.3851 12.4260 12.4260 13.3238 13.3238 14.6514 14.6514 20.9807 20.9807 21.0470 21.0470 k = 0.0000 0.3302-0.0000 ( 2148 PWs) bands (ev): -65.3165 -65.3165 -35.0880 -35.0880 -33.9032 -33.9032 -33.8639 -33.8639 4.8409 4.8409 9.4307 9.4307 11.3046 11.3046 12.3598 12.3598 12.4006 12.4006 13.3276 13.3276 14.6068 14.6068 21.1018 21.1018 21.1679 21.1679 k = 0.0000 0.3396-0.0000 ( 2144 PWs) bands (ev): -65.3154 -65.3154 -35.0885 -35.0885 -33.9044 -33.9044 -33.8637 -33.8637 4.9438 4.9438 9.3139 9.3139 11.3306 11.3306 12.3363 12.3363 12.3771 12.3771 13.3329 13.3329 14.5692 14.5692 21.2247 21.2247 21.2731 21.2731 k = 0.0000 0.3491-0.0000 ( 2144 PWs) bands (ev): -65.3153 -65.3153 -35.0890 -35.0890 -33.9055 -33.9055 -33.8636 -33.8636 5.0490 5.0490 9.1936 9.1936 11.3482 11.3482 12.3132 12.3132 12.3539 12.3539 13.3365 13.3365 14.5350 14.5350 21.2437 21.2437 21.3496 21.3496 k = 0.0000 0.3585-0.0000 ( 2136 PWs) bands (ev): -65.3134 -65.3134 -35.0895 -35.0895 -33.9065 -33.9065 -33.8634 -33.8634 5.1569 5.1569 9.0732 9.0732 11.3655 11.3655 12.2963 12.2963 12.3370 12.3370 13.3401 13.3401 14.5203 14.5203 21.2146 21.2146 21.4771 21.4771 k = 0.0000 0.3679-0.0000 ( 2144 PWs) bands (ev): -65.3151 -65.3151 -35.0900 -35.0900 -33.9076 -33.9076 -33.8633 -33.8633 5.2664 5.2664 8.9447 8.9447 11.3811 11.3811 12.2670 12.2670 12.3077 12.3077 13.3418 13.3418 14.4881 14.4881 21.1865 21.1865 21.6037 21.6037 k = 0.0000 0.3774-0.0000 ( 2136 PWs) bands (ev): -65.3133 -65.3133 -35.0904 -35.0904 -33.9085 -33.9085 -33.8631 -33.8631 5.3783 5.3783 8.8158 8.8158 11.3995 11.3995 12.2554 12.2554 12.2960 12.2960 13.3526 13.3526 14.4665 14.4665 21.1600 21.1600 21.7351 21.7351 k = 0.0000 0.3868-0.0000 ( 2136 PWs) bands (ev): -65.3132 -65.3132 -35.0908 -35.0908 -33.9094 -33.9094 -33.8630 -33.8630 5.4922 5.4922 8.6848 8.6848 11.4142 11.4142 12.2370 12.2370 12.2775 12.2775 13.3554 13.3554 14.4480 14.4480 21.1346 21.1346 21.8666 21.8666 k = 0.0000 0.3962-0.0000 ( 2136 PWs) bands (ev): -65.3132 -65.3132 -35.0911 -35.0911 -33.9102 -33.9102 -33.8629 -33.8629 5.6080 5.6080 8.5522 8.5522 11.4279 11.4279 12.2200 12.2200 12.2604 12.2604 13.3581 13.3581 14.4324 14.4324 21.1108 21.1108 21.9996 21.9996 k = 0.0000 0.4057-0.0000 ( 2136 PWs) bands (ev): -65.3131 -65.3131 -35.0915 -35.0915 -33.9110 -33.9110 -33.8628 -33.8628 5.7257 5.7257 8.4184 8.4184 11.4407 11.4407 12.2043 12.2043 12.2448 12.2448 13.3606 13.3606 14.4195 14.4195 21.0885 21.0885 22.1340 22.1340 k = 0.0000 0.4151-0.0000 ( 2136 PWs) bands (ev): -65.3130 -65.3130 -35.0918 -35.0918 -33.9117 -33.9117 -33.8627 -33.8627 5.8450 5.8450 8.2836 8.2836 11.4525 11.4525 12.1901 12.1901 12.2305 12.2305 13.3630 13.3630 14.4088 14.4088 21.0681 21.0681 22.2696 22.2696 k = 0.0000 0.4245-0.0000 ( 2132 PWs) bands (ev): -65.3121 -65.3121 -35.0921 -35.0921 -33.9123 -33.9123 -33.8626 -33.8626 5.9661 5.9661 8.1494 8.1494 11.4634 11.4634 12.1797 12.1797 12.2200 12.2200 13.3651 13.3651 14.4090 14.4090 21.0495 21.0495 22.4066 22.4066 k = 0.0000 0.4340-0.0000 ( 2132 PWs) bands (ev): -65.3120 -65.3120 -35.0924 -35.0924 -33.9129 -33.9129 -33.8625 -33.8625 6.0882 6.0882 8.0142 8.0142 11.4730 11.4730 12.1684 12.1684 12.2087 12.2087 13.3671 13.3671 14.4019 14.4019 21.0329 21.0329 22.5438 22.5438 k = 0.0000 0.4434-0.0000 ( 2132 PWs) bands (ev): -65.3120 -65.3120 -35.0926 -35.0926 -33.9134 -33.9134 -33.8624 -33.8624 6.2111 6.2111 7.8794 7.8794 11.4814 11.4814 12.1585 12.1585 12.1988 12.1988 13.3688 13.3688 14.3963 14.3963 21.0182 21.0183 22.6812 22.6812 k = 0.0000 0.4528-0.0000 ( 2132 PWs) bands (ev): -65.3119 -65.3119 -35.0928 -35.0928 -33.9138 -33.9138 -33.8624 -33.8624 6.3344 6.3344 7.7459 7.7459 11.4886 11.4886 12.1502 12.1502 12.1905 12.1905 13.3704 13.3704 14.3920 14.3920 21.0058 21.0058 22.8178 22.8178 k = 0.0000 0.4623-0.0000 ( 2132 PWs) bands (ev): -65.3118 -65.3118 -35.0930 -35.0930 -33.9142 -33.9142 -33.8623 -33.8623 6.4570 6.4570 7.6149 7.6149 11.4945 11.4945 12.1435 12.1435 12.1837 12.1837 13.3717 13.3717 14.3888 14.3888 20.9955 20.9955 22.9521 22.9521 k = 0.0000 0.4717-0.0000 ( 2124 PWs) bands (ev): -65.3100 -65.3100 -35.0930 -35.0930 -33.9144 -33.9144 -33.8622 -33.8622 6.5768 6.5768 7.4883 7.4883 11.5057 11.5057 12.1415 12.1415 12.1817 12.1817 13.3832 13.3832 14.3914 14.3914 20.9874 20.9874 23.0812 23.0812 k = 0.0000 0.4811-0.0000 ( 2116 PWs) bands (ev): -65.3081 -65.3081 -35.0931 -35.0931 -33.9146 -33.9146 -33.8621 -33.8621 6.6891 6.6891 7.3711 7.3711 11.5107 11.5107 12.1435 12.1435 12.1837 12.1837 13.3975 13.3975 14.3918 14.3918 20.9816 20.9816 23.1982 23.1982 k = 0.0000 0.4906-0.0000 ( 2104 PWs) bands (ev): -65.3054 -65.3054 -35.0931 -35.0931 -33.9146 -33.9146 -33.8620 -33.8620 6.7814 6.7814 7.2777 7.2777 11.5137 11.5137 12.1525 12.1525 12.1926 12.1926 13.4033 13.4033 14.4015 14.4015 20.9781 20.9781 23.2877 23.2877 k = 0.0000 0.5000-0.0000 ( 2104 PWs) bands (ev): -65.3054 -65.3054 -35.0931 -35.0931 -33.9146 -33.9146 -33.8620 -33.8620 6.8211 6.8211 7.2369 7.2369 11.5144 11.5144 12.1517 12.1517 12.1918 12.1918 13.4034 13.4034 14.4012 14.4012 20.9769 20.9769 23.3232 23.3232 k = 0.0000 0.5000-0.0000 ( 2104 PWs) bands (ev): -65.3054 -65.3054 -35.0931 -35.0931 -33.9146 -33.9146 -33.8620 -33.8620 6.8211 6.8211 7.2369 7.2369 11.5144 11.5144 12.1517 12.1517 12.1918 12.1918 13.4034 13.4034 14.4012 14.4012 20.9769 20.9769 23.3232 23.3232 k = 0.0094 0.5000-0.0000 ( 2104 PWs) bands (ev): -65.3054 -65.3054 -35.0931 -35.0931 -33.9146 -33.9146 -33.8621 -33.8621 6.8220 6.8220 7.2385 7.2385 11.5149 11.5149 12.1514 12.1514 12.1915 12.1915 13.4025 13.4025 14.4011 14.4011 20.9721 20.9721 23.3168 23.3168 k = 0.0189 0.5000-0.0000 ( 2118 PWs) bands (ev): -65.3085 -65.3085 -35.0932 -35.0932 -33.9147 -33.9147 -33.8623 -33.8623 6.8245 6.8245 7.2430 7.2430 11.5076 11.5076 12.1401 12.1401 12.1824 12.1824 13.3850 13.3850 14.3949 14.3949 20.9575 20.9575 23.2888 23.2888 k = 0.0283 0.5000-0.0000 ( 2130 PWs) bands (ev): -65.3112 -65.3112 -35.0934 -35.0934 -33.9148 -33.9148 -33.8625 -33.8625 6.8286 6.8286 7.2508 7.2508 11.5052 11.5052 12.1295 12.1295 12.1710 12.1710 13.3657 13.3657 14.3906 14.3906 20.9331 20.9331 23.2295 23.2295 k = 0.0377 0.5000-0.0000 ( 2130 PWs) bands (ev): -65.3112 -65.3112 -35.0935 -35.0935 -33.9149 -33.9149 -33.8627 -33.8627 6.8344 6.8344 7.2620 7.2620 11.5083 11.5083 12.1255 12.1255 12.1699 12.1699 13.3589 13.3589 14.3901 14.3901 20.8993 20.8993 23.1425 23.1425 k = 0.0472 0.5000-0.0000 ( 2134 PWs) bands (ev): -65.3121 -65.3121 -35.0936 -35.0936 -33.9150 -33.9150 -33.8629 -33.8629 6.8419 6.8419 7.2752 7.2752 11.5124 11.5124 12.1177 12.1177 12.1673 12.1673 13.3501 13.3501 14.3797 14.3797 20.8560 20.8560 23.0327 23.0327 k = 0.0566 0.5000-0.0000 ( 2134 PWs) bands (ev): -65.3121 -65.3121 -35.0938 -35.0938 -33.9150 -33.9150 -33.8633 -33.8633 6.8510 6.8510 7.2927 7.2927 11.5174 11.5174 12.1096 12.1096 12.1677 12.1677 13.3397 13.3397 14.3789 14.3789 20.8036 20.8036 22.9038 22.9038 k = 0.0660 0.5000-0.0000 ( 2134 PWs) bands (ev): -65.3120 -65.3120 -35.0939 -35.0939 -33.9151 -33.9151 -33.8636 -33.8636 6.8617 6.8617 7.3135 7.3135 11.5233 11.5233 12.0994 12.0994 12.1690 12.1690 13.3277 13.3277 14.3780 14.3780 20.7425 20.7425 22.7590 22.7590 k = 0.0755 0.5000-0.0000 ( 2134 PWs) bands (ev): -65.3119 -65.3119 -35.0941 -35.0941 -33.9152 -33.9152 -33.8640 -33.8640 6.8740 6.8740 7.3373 7.3373 11.5225 11.5225 12.0875 12.0875 12.1717 12.1717 13.3240 13.3240 14.3762 14.3762 20.6733 20.6733 22.6007 22.6007 k = 0.0849 0.5000-0.0000 ( 2138 PWs) bands (ev): -65.3128 -65.3128 -35.0944 -35.0944 -33.9153 -33.9153 -33.8645 -33.8645 6.8878 6.8878 7.3643 7.3643 11.5238 11.5238 12.0685 12.0685 12.1747 12.1747 13.3081 13.3081 14.3728 14.3728 20.5954 20.5954 22.4318 22.4318 k = 0.0943 0.5000-0.0000 ( 2138 PWs) bands (ev): -65.3127 -65.3127 -35.0946 -35.0946 -33.9155 -33.9155 -33.8650 -33.8650 6.9033 6.9033 7.3944 7.3944 11.5319 11.5319 12.0521 12.0521 12.1785 12.1785 13.2908 13.2908 14.3711 14.3711 20.5112 20.5112 22.2542 22.2542 k = 0.1038 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3136 -65.3136 -35.0949 -35.0949 -33.9156 -33.9156 -33.8655 -33.8655 6.9202 6.9202 7.4276 7.4276 11.5392 11.5392 12.0279 12.0279 12.1810 12.1810 13.2685 13.2685 14.3691 14.3691 20.4188 20.4188 22.0697 22.0697 k = 0.1132 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3135 -65.3135 -35.0952 -35.0952 -33.9158 -33.9158 -33.8661 -33.8661 6.9387 6.9387 7.4638 7.4638 11.5486 11.5486 12.0080 12.0080 12.1858 12.1858 13.2485 13.2485 14.3670 14.3670 20.3223 20.3223 21.8799 21.8799 k = 0.1226 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3134 -65.3134 -35.0956 -35.0956 -33.9160 -33.9160 -33.8667 -33.8667 6.9587 6.9587 7.5032 7.5032 11.5586 11.5586 11.9865 11.9865 12.1911 12.1911 13.2274 13.2274 14.3646 14.3646 20.2210 20.2210 21.6860 21.6860 k = 0.1321 0.5000-0.0000 ( 2138 PWs) bands (ev): -65.3124 -65.3124 -35.0959 -35.0959 -33.9162 -33.9162 -33.8673 -33.8673 6.9803 6.9803 7.5455 7.5455 11.5742 11.5742 11.9685 11.9685 12.1970 12.1970 13.2057 13.2057 14.3632 14.3632 20.1178 20.1178 21.4897 21.4897 k = 0.1415 0.5000-0.0000 ( 2140 PWs) bands (ev): -65.3127 -65.3127 -35.0963 -35.0963 -33.9164 -33.9164 -33.8679 -33.8679 7.0032 7.0032 7.5908 7.5908 11.5810 11.5810 11.9434 11.9434 12.2032 12.2032 13.1824 13.1824 14.3583 14.3583 20.0088 20.0088 21.2907 21.2907 k = 0.1509 0.5000-0.0000 ( 2144 PWs) bands (ev): -65.3135 -65.3135 -35.0967 -35.0967 -33.9167 -33.9167 -33.8686 -33.8686 7.0275 7.0275 7.6391 7.6391 11.5897 11.5897 11.9174 11.9174 12.2096 12.2096 13.1500 13.1500 14.3508 14.3508 19.8973 19.8973 21.0900 21.0900 k = 0.1604 0.5000-0.0000 ( 2144 PWs) bands (ev): -65.3134 -65.3134 -35.0971 -35.0971 -33.9169 -33.9169 -33.8693 -33.8693 7.0531 7.0531 7.6902 7.6902 11.6011 11.6011 11.8902 11.8902 12.2166 12.2166 13.1251 13.1251 14.3473 14.3473 19.7838 19.7838 20.8897 20.8897 k = 0.1698 0.5000-0.0000 ( 2144 PWs) bands (ev): -65.3132 -65.3132 -35.0975 -35.0975 -33.9172 -33.9172 -33.8700 -33.8700 7.0801 7.0801 7.7443 7.7443 11.6126 11.6126 11.8618 11.8618 12.2238 12.2238 13.0995 13.0995 14.3435 14.3435 19.6689 19.6689 20.6896 20.6896 k = 0.1792 0.5000-0.0000 ( 2144 PWs) bands (ev): -65.3131 -65.3131 -35.0979 -35.0979 -33.9176 -33.9176 -33.8706 -33.8706 7.1083 7.1083 7.8012 7.8012 11.6241 11.6241 11.8323 11.8323 12.2313 12.2313 13.0733 13.0733 14.3392 14.3392 19.5530 19.5530 20.4902 20.4902 k = 0.1887 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3125 -65.3125 -35.0984 -35.0984 -33.9180 -33.9180 -33.8713 -33.8713 7.1377 7.1377 7.8607 7.8607 11.6343 11.6343 11.8004 11.8004 12.2420 12.2420 13.0540 13.0540 14.3354 14.3354 19.4359 19.4359 20.2921 20.2921 k = 0.1981 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3123 -65.3123 -35.0988 -35.0988 -33.9183 -33.9183 -33.8719 -33.8719 7.1682 7.1682 7.9231 7.9231 11.6453 11.6453 11.7690 11.7690 12.2500 12.2500 13.0269 13.0269 14.3303 14.3303 19.3196 19.3196 20.0957 20.0957 k = 0.2075 0.5000-0.0000 ( 2150 PWs) bands (ev): -65.3139 -65.3139 -35.0993 -35.0993 -33.9188 -33.9188 -33.8726 -33.8726 7.1998 7.1998 7.9876 7.9876 11.6492 11.6492 11.7357 11.7357 12.2513 12.2513 12.9958 12.9958 14.3159 14.3159 19.2027 19.2027 19.9001 19.9001 k = 0.2170 0.5000-0.0000 ( 2150 PWs) bands (ev): -65.3138 -65.3138 -35.0998 -35.0998 -33.9193 -33.9193 -33.8733 -33.8733 7.2325 7.2325 8.0553 8.0553 11.6568 11.6568 11.7051 11.7051 12.2596 12.2596 12.9683 12.9683 14.3096 14.3096 19.0878 19.0878 19.7083 19.7083 k = 0.2264 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3118 -65.3118 -35.1003 -35.1003 -33.9197 -33.9197 -33.8739 -33.8739 7.2670 7.2670 8.1265 8.1265 11.6565 11.6565 11.6891 11.6891 12.2742 12.2742 12.9447 12.9447 14.3064 14.3064 18.9825 18.9825 19.5195 19.5195 k = 0.2358 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3116 -65.3116 -35.1008 -35.1008 -33.9202 -33.9202 -33.8745 -33.8745 7.3015 7.3015 8.1993 8.1993 11.6304 11.6304 11.6869 11.6869 12.2825 12.2825 12.9196 12.9196 14.2994 14.2994 18.8701 18.8701 19.3337 19.3337 k = 0.2453 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3115 -65.3115 -35.1013 -35.1013 -33.9208 -33.9208 -33.8750 -33.8750 7.3369 7.3369 8.2745 8.2745 11.5965 11.5965 11.6931 11.6931 12.2911 12.2911 12.8919 12.8919 14.2911 14.2911 18.7600 18.7600 19.1516 19.1516 k = 0.2547 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3113 -65.3113 -35.1018 -35.1018 -33.9214 -33.9214 -33.8756 -33.8756 7.3730 7.3730 8.3521 8.3521 11.5605 11.5605 11.6997 11.6997 12.2998 12.2998 12.8645 12.8645 14.2822 14.2822 18.6521 18.6521 18.9734 18.9734 k = 0.2642 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3111 -65.3111 -35.1023 -35.1023 -33.9220 -33.9220 -33.8761 -33.8761 7.4098 7.4098 8.4319 8.4319 11.5237 11.5237 11.7054 11.7054 12.3085 12.3085 12.8374 12.8374 14.2726 14.2726 18.5466 18.5466 18.7994 18.7994 k = 0.2736 0.5000-0.0000 ( 2150 PWs) bands (ev): -65.3128 -65.3128 -35.1028 -35.1028 -33.9226 -33.9226 -33.8766 -33.8766 7.4462 7.4462 8.5137 8.5137 11.4809 11.4809 11.7050 11.7050 12.3155 12.3155 12.8041 12.8041 14.2582 14.2582 18.4355 18.4355 18.6291 18.6291 k = 0.2830 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3109 -65.3109 -35.1033 -35.1033 -33.9232 -33.9232 -33.8770 -33.8770 7.4844 7.4844 8.5981 8.5981 11.4458 11.4458 11.7081 11.7081 12.3273 12.3273 12.7925 12.7925 14.2509 14.2509 18.3394 18.3394 18.4650 18.4650 k = 0.2925 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3107 -65.3107 -35.1038 -35.1038 -33.9239 -33.9239 -33.8774 -33.8774 7.5224 7.5224 8.6843 8.6843 11.4079 11.4079 11.7089 11.7089 12.3358 12.3358 12.7664 12.7664 14.2387 14.2387 18.2417 18.2417 18.3058 18.3058 k = 0.3019 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3106 -65.3106 -35.1043 -35.1043 -33.9246 -33.9246 -33.8778 -33.8778 7.5606 7.5606 8.7725 8.7725 11.3699 11.3699 11.7076 11.7076 12.3442 12.3442 12.7410 12.7410 14.2258 14.2258 18.1423 18.1423 18.1569 18.1569 k = 0.3113 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3105 -65.3105 -35.1048 -35.1048 -33.9252 -33.9252 -33.8782 -33.8782 7.5989 7.5989 8.8625 8.8625 11.3320 11.3320 11.7039 11.7039 12.3525 12.3525 12.7164 12.7164 14.2122 14.2122 18.0015 18.0015 18.0586 18.0586 k = 0.3208 0.5000-0.0000 ( 2142 PWs) bands (ev): -65.3103 -65.3103 -35.1052 -35.1052 -33.9259 -33.9259 -33.8786 -33.8786 7.6380 7.6380 8.9545 8.9545 11.2968 11.2968 11.6959 11.6959 12.3554 12.3554 12.6927 12.6927 14.1981 14.1981 17.8566 17.8566 17.9777 17.9777 k = 0.3302 0.5000-0.0000 ( 2148 PWs) bands (ev): -65.3115 -65.3115 -35.1057 -35.1057 -33.9266 -33.9266 -33.8789 -33.8789 7.6753 7.6753 9.0474 9.0474 11.2571 11.2571 11.6855 11.6855 12.3610 12.3610 12.6616 12.6616 14.1804 14.1804 17.7191 17.7191 17.8888 17.8888 k = 0.3396 0.5000-0.0000 ( 2144 PWs) bands (ev): -65.3105 -65.3105 -35.1061 -35.1061 -33.9272 -33.9272 -33.8792 -33.8792 7.7133 7.7133 9.1422 9.1422 11.2210 11.2210 11.6764 11.6764 12.3688 12.3688 12.6417 12.6417 14.1697 14.1697 17.5903 17.5903 17.8120 17.8120 k = 0.3491 0.5000-0.0000 ( 2140 PWs) bands (ev): -65.3095 -65.3095 -35.1066 -35.1066 -33.9279 -33.9279 -33.8794 -33.8794 7.7510 7.7510 9.2384 9.2384 11.1854 11.1854 11.6602 11.6602 12.3809 12.3809 12.6253 12.6253 14.1539 14.1539 17.4677 17.4677 17.7396 17.7396 k = 0.3585 0.5000-0.0000 ( 2140 PWs) bands (ev): -65.3094 -65.3094 -35.1070 -35.1070 -33.9285 -33.9285 -33.8796 -33.8796 7.7873 7.7873 9.3357 9.3357 11.1496 11.1496 11.6402 11.6402 12.3878 12.3878 12.6052 12.6052 14.1377 14.1377 17.3518 17.3518 17.6678 17.6678 k = 0.3679 0.5000-0.0000 ( 2140 PWs) bands (ev): -65.3093 -65.3093 -35.1074 -35.1074 -33.9291 -33.9291 -33.8798 -33.8798 7.8228 7.8228 9.4341 9.4341 11.1148 11.1148 11.6162 11.6162 12.3944 12.3944 12.5862 12.5862 14.1213 14.1213 17.2432 17.2432 17.6003 17.6003 k = 0.3774 0.5000-0.0000 ( 2140 PWs) bands (ev): -65.3092 -65.3092 -35.1077 -35.1077 -33.9297 -33.9297 -33.8800 -33.8800 7.8571 7.8571 9.5333 9.5333 11.0811 11.0811 11.5880 11.5880 12.4005 12.4005 12.5684 12.5684 14.1048 14.1048 17.1420 17.1420 17.5370 17.5370 k = 0.3868 0.5000-0.0000 ( 2146 PWs) bands (ev): -65.3104 -65.3104 -35.1081 -35.1081 -33.9304 -33.9304 -33.8802 -33.8802 7.8887 7.8887 9.6317 9.6317 11.0473 11.0473 11.5533 11.5533 12.4058 12.4058 12.5518 12.5518 14.0791 14.0791 17.0472 17.0472 17.4700 17.4700 k = 0.3962 0.5000-0.0000 ( 2152 PWs) bands (ev): -65.3116 -65.3116 -35.1085 -35.1085 -33.9310 -33.9310 -33.8804 -33.8804 7.9195 7.9195 9.7318 9.7318 11.0162 11.0162 11.5112 11.5112 12.4109 12.4109 12.5343 12.5343 14.0514 14.0514 16.9595 16.9595 17.4123 17.4123 k = 0.4057 0.5000-0.0000 ( 2148 PWs) bands (ev): -65.3106 -65.3106 -35.1088 -35.1088 -33.9314 -33.9314 -33.8805 -33.8805 7.9492 7.9492 9.8324 9.8324 10.9874 10.9874 11.4712 11.4712 12.4158 12.4158 12.5253 12.5253 14.0440 14.0440 16.8814 16.8814 17.3622 17.3622 k = 0.4151 0.5000-0.0000 ( 2148 PWs) bands (ev): -65.3105 -65.3105 -35.1090 -35.1090 -33.9319 -33.9319 -33.8806 -33.8806 7.9769 7.9769 9.9329 9.9329 10.9605 10.9605 11.4245 11.4245 12.4200 12.4200 12.5127 12.5127 14.0286 14.0286 16.8107 16.8107 17.3167 17.3167 k = 0.4245 0.5000-0.0000 ( 2152 PWs) bands (ev): -65.3114 -65.3114 -35.1093 -35.1093 -33.9324 -33.9324 -33.8807 -33.8807 8.0018 8.0018 10.0324 10.0324 10.9353 10.9353 11.3709 11.3709 12.4248 12.4248 12.4957 12.4957 14.0148 14.0148 16.7424 16.7424 17.2726 17.2726 k = 0.4340 0.5000-0.0000 ( 2152 PWs) bands (ev): -65.3113 -65.3113 -35.1095 -35.1095 -33.9327 -33.9327 -33.8808 -33.8808 8.0249 8.0249 10.1322 10.1322 10.9129 10.9129 11.3147 11.3147 12.4273 12.4273 12.4865 12.4865 14.0017 14.0017 16.6868 16.6868 17.2364 17.2364 k = 0.4434 0.5000-0.0000 ( 2156 PWs) bands (ev): -65.3121 -65.3121 -35.1098 -35.1098 -33.9331 -33.9331 -33.8809 -33.8809 8.0433 8.0433 10.2301 10.2301 10.8926 10.8926 11.2527 11.2527 12.4285 12.4285 12.4789 12.4789 13.9882 13.9882 16.6378 16.6378 17.1957 17.1957 k = 0.4528 0.5000-0.0000 ( 2156 PWs) bands (ev): -65.3121 -65.3121 -35.1099 -35.1099 -33.9334 -33.9334 -33.8809 -33.8809 8.0610 8.0610 10.3279 10.3279 10.8755 10.8755 11.1874 11.1874 12.4292 12.4292 12.4733 12.4733 13.9780 13.9780 16.5974 16.5974 17.1690 17.1690 k = 0.4623 0.5000-0.0000 ( 2168 PWs) bands (ev): -65.3148 -65.3148 -35.1101 -35.1101 -33.9338 -33.9338 -33.8810 -33.8810 8.0712 8.0712 10.4222 10.4222 10.8607 10.8607 11.1139 11.1139 12.4265 12.4265 12.4659 12.4659 13.9569 13.9569 16.5618 16.5618 17.1281 17.1281 k = 0.4717 0.5000-0.0000 ( 2160 PWs) bands (ev): -65.3129 -65.3129 -35.1102 -35.1102 -33.9339 -33.9339 -33.8810 -33.8810 8.0858 8.0858 10.5172 10.5172 10.8496 10.8496 11.0421 11.0421 12.4300 12.4300 12.4691 12.4691 13.9538 13.9538 16.5369 16.5369 17.1235 17.1235 k = 0.4811 0.5000-0.0000 ( 2160 PWs) bands (ev): -65.3130 -65.3130 -35.1103 -35.1103 -33.9340 -33.9340 -33.8810 -33.8810 8.0941 8.0941 10.6084 10.6084 10.8410 10.8410 10.9664 10.9664 12.4293 12.4293 12.4676 12.4676 13.9486 13.9486 16.5187 16.5187 17.1110 17.1110 k = 0.4906 0.5000-0.0000 ( 2160 PWs) bands (ev): -65.3130 -65.3130 -35.1103 -35.1103 -33.9341 -33.9341 -33.8810 -33.8810 8.0991 8.0991 10.6941 10.6941 10.8335 10.8335 10.8923 10.8923 12.4287 12.4287 12.4668 12.4668 13.9455 13.9455 16.5078 16.5078 17.1035 17.1035 k = 0.5000 0.5000-0.0000 ( 2160 PWs) bands (ev): -65.3130 -65.3130 -35.1103 -35.1103 -33.9341 -33.9341 -33.8810 -33.8810 8.1008 8.1008 10.7500 10.7500 10.8173 10.8173 10.8541 10.8541 12.4284 12.4284 12.4665 12.4665 13.9444 13.9444 16.5041 16.5041 17.1010 17.1010 k = 0.5000 0.5000-0.0000 ( 2160 PWs) bands (ev): -65.3130 -65.3130 -35.1103 -35.1103 -33.9341 -33.9341 -33.8810 -33.8810 8.1008 8.1008 10.7500 10.7500 10.8173 10.8173 10.8541 10.8541 12.4284 12.4284 12.4665 12.4665 13.9444 13.9444 16.5041 16.5041 17.1010 17.1010 k = 0.4933 0.4933-0.0000 ( 2160 PWs) bands (ev): -65.3130 -65.3130 -35.1103 -35.1103 -33.9341 -33.9341 -33.8810 -33.8810 8.0991 8.0991 10.6947 10.6947 10.8320 10.8320 10.8933 10.8933 12.4287 12.4287 12.4668 12.4668 13.9455 13.9455 16.5077 16.5077 17.1035 17.1035 k = 0.4867 0.4867-0.0000 ( 2160 PWs) bands (ev): -65.3130 -65.3130 -35.1103 -35.1103 -33.9340 -33.9340 -33.8810 -33.8810 8.0940 8.0940 10.6116 10.6116 10.8344 10.8344 10.9700 10.9700 12.4294 12.4294 12.4675 12.4675 13.9486 13.9486 16.5184 16.5184 17.1112 17.1112 k = 0.4800 0.4800-0.0000 ( 2162 PWs) bands (ev): -65.3134 -65.3134 -35.1102 -35.1102 -33.9339 -33.9339 -33.8810 -33.8810 8.0841 8.0841 10.5253 10.5253 10.8345 10.8345 11.0488 11.0488 12.4299 12.4299 12.4681 12.4681 13.9539 13.9539 16.5351 16.5351 17.1196 17.1196 k = 0.4733 0.4733-0.0000 ( 2166 PWs) bands (ev): -65.3143 -65.3143 -35.1101 -35.1101 -33.9337 -33.9337 -33.8810 -33.8810 8.0707 8.0707 10.4396 10.4396 10.8342 10.8342 11.1260 11.1260 12.4271 12.4271 12.4665 12.4665 13.9571 13.9571 16.5576 16.5576 17.1367 17.1367 k = 0.4667 0.4667-0.0000 ( 2154 PWs) bands (ev): -65.3116 -65.3116 -35.1099 -35.1099 -33.9334 -33.9334 -33.8809 -33.8809 8.0583 8.0583 10.3567 10.3567 10.8337 10.8337 11.2060 11.2060 12.4325 12.4325 12.4712 12.4712 13.9790 13.9790 16.5849 16.5849 17.1843 17.1843 k = 0.4600 0.4600-0.0000 ( 2154 PWs) bands (ev): -65.3117 -65.3117 -35.1097 -35.1097 -33.9331 -33.9331 -33.8809 -33.8809 8.0365 8.0365 10.2755 10.2755 10.8330 10.8330 11.2776 11.2776 12.4347 12.4347 12.4739 12.4739 13.9902 13.9902 16.6129 16.6129 17.2213 17.2213 k = 0.4533 0.4533-0.0000 ( 2154 PWs) bands (ev): -65.3118 -65.3118 -35.1095 -35.1095 -33.9327 -33.9327 -33.8808 -33.8808 8.0094 8.0094 10.1982 10.1982 10.8321 10.8321 11.3454 11.3454 12.4371 12.4371 12.4773 12.4773 14.0035 14.0035 16.6413 16.6413 17.2691 17.2691 k = 0.4467 0.4467-0.0000 ( 2158 PWs) bands (ev): -65.3127 -65.3127 -35.1093 -35.1093 -33.9324 -33.9324 -33.8808 -33.8808 7.9760 7.9760 10.1255 10.1255 10.8311 10.8311 11.4093 11.4093 12.4370 12.4370 12.4766 12.4766 14.0150 14.0150 16.6681 16.6681 17.3266 17.3266 k = 0.4400 0.4400-0.0000 ( 2150 PWs) bands (ev): -65.3110 -65.3110 -35.1090 -35.1090 -33.9319 -33.9319 -33.8806 -33.8806 7.9373 7.9373 10.0621 10.0621 10.8302 10.8302 11.4715 11.4715 12.4450 12.4450 12.4842 12.4842 14.0410 14.0410 16.7009 16.7009 17.4018 17.4018 k = 0.4333 0.4333-0.0000 ( 2150 PWs) bands (ev): -65.3111 -65.3111 -35.1087 -35.1087 -33.9314 -33.9314 -33.8805 -33.8805 7.8911 7.8911 10.0030 10.0030 10.8290 10.8290 11.5272 11.5272 12.4487 12.4487 12.4891 12.4891 14.0605 14.0605 16.7223 16.7223 17.4880 17.4880 k = 0.4267 0.4267-0.0000 ( 2148 PWs) bands (ev): -65.3107 -65.3107 -35.1084 -35.1084 -33.9308 -33.9308 -33.8804 -33.8804 7.8387 7.8387 9.9516 9.9516 10.8278 10.8278 11.5810 11.5810 12.4525 12.4525 12.4948 12.4948 14.0828 14.0828 16.7405 16.7405 17.5918 17.5918 k = 0.4200 0.4200-0.0000 ( 2148 PWs) bands (ev): -65.3108 -65.3108 -35.1081 -35.1081 -33.9302 -33.9302 -33.8803 -33.8803 7.7779 7.7779 9.9082 9.9082 10.8266 10.8266 11.6303 11.6303 12.4528 12.4528 12.5003 12.5003 14.1104 14.1104 16.7544 16.7544 17.7043 17.7043 k = 0.4133 0.4133-0.0000 ( 2148 PWs) bands (ev): -65.3109 -65.3109 -35.1077 -35.1077 -33.9295 -33.9295 -33.8802 -33.8802 7.7097 7.7097 9.8733 9.8733 10.8252 10.8252 11.6741 11.6741 12.4568 12.4568 12.5076 12.5076 14.1360 14.1360 16.7667 16.7667 17.8270 17.8270 k = 0.4067 0.4067-0.0000 ( 2148 PWs) bands (ev): -65.3110 -65.3110 -35.1073 -35.1073 -33.9288 -33.9288 -33.8801 -33.8801 7.6346 7.6346 9.8467 9.8467 10.8237 10.8237 11.7155 11.7155 12.4599 12.4599 12.5143 12.5143 14.1635 14.1635 16.7768 16.7768 17.9616 17.9616 k = 0.4000 0.4000-0.0000 ( 2144 PWs) bands (ev): -65.3102 -65.3102 -35.1068 -35.1068 -33.9280 -33.9280 -33.8800 -33.8800 7.5529 7.5529 9.8309 9.8309 10.8224 10.8224 11.7519 11.7519 12.4652 12.4652 12.5270 12.5270 14.1959 14.1959 16.7882 16.7882 18.1067 18.1067 k = 0.3933 0.3933-0.0000 ( 2148 PWs) bands (ev): -65.3112 -65.3112 -35.1064 -35.1064 -33.9272 -33.9272 -33.8798 -33.8798 7.4644 7.4644 9.8203 9.8203 10.8200 10.8200 11.7845 11.7845 12.4677 12.4677 12.5336 12.5336 14.2188 14.2188 16.7949 16.7949 18.2580 18.2580 k = 0.3867 0.3867-0.0000 ( 2148 PWs) bands (ev): -65.3113 -65.3113 -35.1059 -35.1059 -33.9264 -33.9264 -33.8797 -33.8797 7.3693 7.3693 9.8183 9.8183 10.8181 10.8181 11.8101 11.8101 12.4790 12.4790 12.5448 12.5448 14.2517 14.2517 16.8027 16.8027 18.4118 18.4118 k = 0.3800 0.3800-0.0000 ( 2146 PWs) bands (ev): -65.3111 -65.3111 -35.1054 -35.1054 -33.9255 -33.9255 -33.8795 -33.8795 7.2710 7.2710 9.8231 9.8231 10.8163 10.8163 11.8397 11.8397 12.4845 12.4845 12.5554 12.5554 14.2875 14.2875 16.8086 16.8086 18.5817 18.5817 k = 0.3733 0.3733-0.0000 ( 2154 PWs) bands (ev): -65.3130 -65.3130 -35.1049 -35.1049 -33.9246 -33.9246 -33.8794 -33.8794 7.1664 7.1664 9.8337 9.8337 10.8134 10.8134 11.8588 11.8588 12.4810 12.4810 12.5654 12.5654 14.3184 14.3184 16.8102 16.8102 18.7499 18.7499 k = 0.3667 0.3667-0.0000 ( 2150 PWs) bands (ev): -65.3123 -65.3123 -35.1043 -35.1043 -33.9236 -33.9236 -33.8792 -33.8792 7.0596 7.0596 9.8522 9.8522 10.8129 10.8129 11.8804 11.8804 12.4875 12.4875 12.5788 12.5788 14.3668 14.3668 16.8157 16.8157 18.9291 18.9291 k = 0.3600 0.3600-0.0000 ( 2142 PWs) bands (ev): -65.3107 -65.3107 -35.1037 -35.1037 -33.9226 -33.9226 -33.8790 -33.8790 6.9501 6.9501 9.8795 9.8795 10.8113 10.8113 11.9030 11.9030 12.4950 12.4950 12.5977 12.5977 14.4106 14.4106 16.8283 16.8283 19.1172 19.1172 k = 0.3533 0.3533-0.0000 ( 2142 PWs) bands (ev): -65.3109 -65.3109 -35.1031 -35.1031 -33.9215 -33.9215 -33.8788 -33.8788 6.8379 6.8379 9.9067 9.9067 10.8094 10.8094 11.9197 11.9197 12.5015 12.5015 12.6105 12.6105 14.4545 14.4545 16.8319 16.8319 19.3058 19.3058 k = 0.3467 0.3467-0.0000 ( 2142 PWs) bands (ev): -65.3111 -65.3111 -35.1025 -35.1025 -33.9205 -33.9205 -33.8786 -33.8786 6.7240 6.7240 9.9382 9.9382 10.8075 10.8075 11.9345 11.9345 12.5085 12.5085 12.6238 12.6238 14.5006 14.5006 16.8356 16.8356 19.4983 19.4983 k = 0.3400 0.3400-0.0000 ( 2136 PWs) bands (ev): -65.3099 -65.3099 -35.1019 -35.1019 -33.9193 -33.9193 -33.8784 -33.8784 6.6088 6.6088 9.9754 9.9754 10.8068 10.8068 11.9480 11.9480 12.5241 12.5241 12.6388 12.6388 14.5537 14.5537 16.8436 16.8436 19.6946 19.6946 k = 0.3333 0.3333-0.0000 ( 2135 PWs) bands (ev): -65.3098 -65.3098 -35.1012 -35.1012 -33.9182 -33.9182 -33.8781 -33.8781 6.4928 6.4928 10.0141 10.0141 10.8050 10.8050 11.9619 11.9619 12.5320 12.5320 12.6529 12.6529 14.6037 14.6037 16.8483 16.8483 19.8940 19.8940 k = 0.3267 0.3267-0.0000 ( 2135 PWs) bands (ev): -65.3100 -65.3100 -35.1005 -35.1005 -33.9170 -33.9170 -33.8779 -33.8779 6.3760 6.3760 10.0555 10.0555 10.8032 10.8032 11.9725 11.9725 12.5404 12.5404 12.6674 12.6674 14.6559 14.6559 16.8529 16.8529 20.0941 20.0941 k = 0.3200 0.3200-0.0000 ( 2135 PWs) bands (ev): -65.3102 -65.3102 -35.0999 -35.0999 -33.9158 -33.9158 -33.8777 -33.8777 6.2590 6.2590 10.0994 10.0994 10.8014 10.8014 11.9822 11.9822 12.5493 12.5493 12.6822 12.6822 14.7101 14.7101 16.8580 16.8580 20.2952 20.2952 k = 0.3133 0.3133-0.0000 ( 2135 PWs) bands (ev): -65.3104 -65.3104 -35.0992 -35.0992 -33.9145 -33.9145 -33.8775 -33.8775 6.1422 6.1422 10.1454 10.1454 10.7997 10.7997 11.9913 11.9913 12.5587 12.5587 12.6974 12.6974 14.7664 14.7664 16.8637 16.8637 20.4965 20.4965 k = 0.3067 0.3067-0.0000 ( 2135 PWs) bands (ev): -65.3105 -65.3105 -35.0985 -35.0985 -33.9133 -33.9133 -33.8773 -33.8773 6.0257 6.0257 10.1930 10.1930 10.7981 10.7981 11.9999 11.9999 12.5688 12.5688 12.7129 12.7129 14.8248 14.8248 16.8701 16.8701 20.6969 20.6969 k = 0.3000 0.3000-0.0000 ( 2143 PWs) bands (ev): -65.3125 -65.3125 -35.0978 -35.0978 -33.9121 -33.9121 -33.8771 -33.8771 5.9095 5.9095 10.2410 10.2410 10.7942 10.7942 12.0063 12.0063 12.5669 12.5669 12.7263 12.7263 14.8784 14.8784 16.8747 16.8747 20.8945 20.8945 k = 0.2933 0.2933-0.0000 ( 2145 PWs) bands (ev): -65.3132 -65.3132 -35.0970 -35.0970 -33.9108 -33.9108 -33.8768 -33.8768 5.7943 5.7943 10.2907 10.2907 10.7918 10.7918 12.0113 12.0113 12.5779 12.5779 12.7423 12.7423 14.9390 14.9390 16.8824 16.8824 21.0886 21.0886 k = 0.2867 0.2867-0.0000 ( 2149 PWs) bands (ev): -65.3142 -65.3142 -35.0963 -35.0963 -33.9095 -33.9095 -33.8766 -33.8766 5.6804 5.6804 10.3405 10.3405 10.7896 10.7896 12.0194 12.0194 12.5840 12.5840 12.7539 12.7539 15.0019 15.0019 16.8907 16.8907 21.2785 21.2785 k = 0.2800 0.2800-0.0000 ( 2141 PWs) bands (ev): -65.3126 -65.3126 -35.0955 -35.0955 -33.9081 -33.9081 -33.8763 -33.8763 5.5679 5.5679 10.3909 10.3909 10.7930 10.7930 12.0319 12.0319 12.6032 12.6032 12.7734 12.7734 15.0793 15.0793 16.9017 16.9017 21.4620 21.4620 k = 0.2733 0.2733-0.0000 ( 2137 PWs) bands (ev): -65.3119 -65.3119 -35.0948 -35.0948 -33.9067 -33.9067 -33.8761 -33.8761 5.4568 5.4568 10.4409 10.4409 10.7918 10.7918 12.0482 12.0482 12.6206 12.6206 12.7900 12.7900 15.1478 15.1478 16.9156 16.9156 21.6375 21.6375 k = 0.2667 0.2667-0.0000 ( 2137 PWs) bands (ev): -65.3121 -65.3121 -35.0940 -35.0940 -33.9054 -33.9054 -33.8758 -33.8758 5.3469 5.3469 10.4896 10.4896 10.7906 10.7906 12.0602 12.0602 12.6338 12.6338 12.8067 12.8067 15.2180 15.2180 16.9284 16.9284 21.8008 21.8008 k = 0.2600 0.2600-0.0000 ( 2137 PWs) bands (ev): -65.3123 -65.3123 -35.0932 -35.0932 -33.9040 -33.9040 -33.8756 -33.8756 5.2387 5.2387 10.5370 10.5370 10.7895 10.7895 12.0739 12.0739 12.6476 12.6476 12.8234 12.8234 15.2903 15.2903 16.9426 16.9426 21.7323 21.7323 k = 0.2533 0.2533-0.0000 ( 2137 PWs) bands (ev): -65.3124 -65.3124 -35.0925 -35.0925 -33.9027 -33.9027 -33.8753 -33.8753 5.1322 5.1322 10.5827 10.5827 10.7885 10.7885 12.0896 12.0896 12.6621 12.6621 12.8402 12.8402 15.3646 15.3646 16.9583 16.9583 21.6032 21.6032 k = 0.2467 0.2467-0.0000 ( 2135 PWs) bands (ev): -65.3122 -65.3122 -35.0917 -35.0917 -33.9013 -33.9013 -33.8750 -33.8750 5.0274 5.0274 10.6295 10.6295 10.7916 10.7916 12.1021 12.1021 12.6788 12.6788 12.8539 12.8539 15.4467 15.4467 16.9772 16.9772 21.4757 21.4757 k = 0.2400 0.2400-0.0000 ( 2143 PWs) bands (ev): -65.3142 -65.3142 -35.0910 -35.0910 -33.9000 -33.9000 -33.8748 -33.8748 4.9248 4.9248 10.6669 10.6669 10.7879 10.7879 12.1204 12.1204 12.6901 12.6901 12.8616 12.8616 15.5195 15.5195 16.9930 16.9930 21.3474 21.3474 k = 0.2333 0.2333-0.0000 ( 2143 PWs) bands (ev): -65.3145 -65.3145 -35.0902 -35.0902 -33.8986 -33.8986 -33.8745 -33.8745 4.8242 4.8242 10.7050 10.7050 10.7871 10.7871 12.1429 12.1429 12.7061 12.7061 12.8783 12.8783 15.5993 15.5993 17.0140 17.0140 21.2213 21.2213 k = 0.2267 0.2267-0.0000 ( 2139 PWs) bands (ev): -65.3138 -65.3138 -35.0894 -35.0894 -33.8972 -33.8972 -33.8743 -33.8743 4.7259 4.7259 10.7398 10.7398 10.7878 10.7878 12.1759 12.1759 12.7249 12.7249 12.8951 12.8951 15.6827 15.6827 17.0382 17.0382 21.0970 21.0970 k = 0.2200 0.2200-0.0000 ( 2139 PWs) bands (ev): -65.3140 -65.3140 -35.0887 -35.0887 -33.8958 -33.8958 -33.8740 -33.8740 4.6296 4.6296 10.7704 10.7704 10.7883 10.7883 12.2043 12.2043 12.7420 12.7420 12.9117 12.9117 15.7664 15.7664 17.0632 17.0632 20.9737 20.9737 k = 0.2133 0.2133-0.0000 ( 2143 PWs) bands (ev): -65.3151 -65.3151 -35.0879 -35.0879 -33.8945 -33.8945 -33.8738 -33.8738 4.5356 4.5356 10.7841 10.7841 10.8006 10.8006 12.2355 12.2355 12.7496 12.7496 12.9279 12.9279 15.8518 15.8518 17.0880 17.0880 20.8502 20.8502 k = 0.2067 0.2067-0.0000 ( 2145 PWs) bands (ev): -65.3158 -65.3158 -35.0872 -35.0872 -33.8932 -33.8932 -33.8735 -33.8735 4.4440 4.4440 10.7848 10.7848 10.8210 10.8210 12.2682 12.2682 12.7675 12.7675 12.9443 12.9443 15.9392 15.9392 17.1159 17.1159 20.7306 20.7306 k = 0.2000 0.2000-0.0000 ( 2157 PWs) bands (ev): -65.3187 -65.3187 -35.0865 -35.0865 -33.8919 -33.8919 -33.8734 -33.8734 4.3546 4.3546 10.7799 10.7799 10.8365 10.8365 12.3042 12.3042 12.7734 12.7734 12.9494 12.9494 16.0224 16.0224 17.1442 17.1442 20.6107 20.6107 k = 0.1933 0.1933-0.0000 ( 2147 PWs) bands (ev): -65.3167 -65.3167 -35.0857 -35.0857 -33.8905 -33.8905 -33.8730 -33.8730 4.2680 4.2680 10.7827 10.7827 10.8574 10.8574 12.3503 12.3503 12.8047 12.8047 12.9683 12.9683 16.1165 16.1165 17.1823 17.1823 20.4977 20.4977 k = 0.1867 0.1867-0.0000 ( 2147 PWs) bands (ev): -65.3169 -65.3169 -35.0850 -35.0850 -33.8892 -33.8892 -33.8728 -33.8728 4.1838 4.1838 10.7825 10.7825 10.8716 10.8716 12.3920 12.3920 12.8238 12.8238 12.9840 12.9840 16.2092 16.2092 17.2193 17.2193 20.3843 20.3843 k = 0.1800 0.1800-0.0000 ( 2147 PWs) bands (ev): -65.3171 -65.3171 -35.0843 -35.0843 -33.8879 -33.8879 -33.8725 -33.8725 4.1022 4.1022 10.7824 10.7824 10.8827 10.8827 12.4355 12.4355 12.8431 12.8431 12.9994 12.9994 16.3035 16.3035 17.2588 17.2588 20.2733 20.2733 k = 0.1733 0.1733-0.0000 ( 2147 PWs) bands (ev): -65.3173 -65.3173 -35.0836 -35.0836 -33.8867 -33.8867 -33.8723 -33.8723 4.0231 4.0231 10.7824 10.7824 10.8910 10.8910 12.4805 12.4805 12.8629 12.8629 13.0146 13.0146 16.3994 16.3994 17.3010 17.3010 20.1648 20.1648 k = 0.1667 0.1667-0.0000 ( 2155 PWs) bands (ev): -65.3193 -65.3193 -35.0829 -35.0829 -33.8855 -33.8855 -33.8721 -33.8721 3.9466 3.9466 10.7805 10.7805 10.8957 10.8957 12.5228 12.5228 12.8681 12.8681 13.0254 13.0254 16.4950 16.4950 17.3441 17.3441 20.0569 20.0569 k = 0.1600 0.1600-0.0000 ( 2145 PWs) bands (ev): -65.3172 -65.3172 -35.0822 -35.0822 -33.8842 -33.8842 -33.8718 -33.8718 3.8730 3.8730 10.7850 10.7850 10.9022 10.9022 12.5742 12.5742 12.8923 12.8923 13.0554 13.0554 16.5971 16.5971 17.3936 17.3936 19.9545 19.9545 k = 0.1533 0.1533-0.0000 ( 2145 PWs) bands (ev): -65.3174 -65.3174 -35.0816 -35.0816 -33.8831 -33.8831 -33.8715 -33.8715 3.8021 3.8021 10.7852 10.7852 10.9037 10.9037 12.6211 12.6211 12.9125 12.9125 13.0695 13.0695 16.6972 16.6972 17.4438 17.4438 19.8544 19.8544 k = 0.1467 0.1467-0.0000 ( 2145 PWs) bands (ev): -65.3176 -65.3176 -35.0810 -35.0810 -33.8819 -33.8819 -33.8713 -33.8713 3.7339 3.7339 10.7872 10.7872 10.9036 10.9036 12.6650 12.6650 12.9319 12.9319 13.0839 13.0839 16.7997 16.7997 17.4962 17.4962 19.7572 19.7572 k = 0.1400 0.1400-0.0000 ( 2149 PWs) bands (ev): -65.3187 -65.3187 -35.0804 -35.0804 -33.8809 -33.8809 -33.8711 -33.8711 3.6685 3.6685 10.7856 10.7856 10.9018 10.9018 12.7106 12.7106 12.9448 12.9448 13.0936 13.0936 16.9006 16.9006 17.5512 17.5512 19.6623 19.6623 k = 0.1333 0.1333-0.0000 ( 2147 PWs) bands (ev): -65.3184 -65.3184 -35.0798 -35.0798 -33.8798 -33.8798 -33.8709 -33.8709 3.6060 3.6060 10.7916 10.7916 10.9007 10.9007 12.7505 12.7505 12.9648 12.9648 13.1070 13.1070 17.0073 17.0073 17.6092 17.6092 19.5716 19.5716 k = 0.1267 0.1267-0.0000 ( 2147 PWs) bands (ev): -65.3186 -65.3186 -35.0792 -35.0792 -33.8787 -33.8787 -33.8707 -33.8707 3.5464 3.5464 10.7921 10.7921 10.8967 10.8967 12.7945 12.7945 12.9846 12.9846 13.1196 13.1196 17.1113 17.1113 17.6690 17.6690 19.4842 19.4842 k = 0.1200 0.1200-0.0000 ( 2143 PWs) bands (ev): -65.3179 -65.3179 -35.0786 -35.0786 -33.8777 -33.8777 -33.8704 -33.8704 3.4898 3.4898 10.7961 10.7961 10.8920 10.8920 12.8378 12.8378 13.0092 13.0092 13.1351 13.1351 17.2177 17.2177 17.7309 17.7309 19.4008 19.4008 k = 0.1133 0.1133-0.0000 ( 2139 PWs) bands (ev): -65.3172 -65.3172 -35.0781 -35.0781 -33.8768 -33.8768 -33.8702 -33.8702 3.4360 3.4360 10.7951 10.7951 10.8898 10.8898 12.8782 12.8782 13.0302 13.0302 13.1584 13.1584 17.3215 17.3215 17.7953 17.7953 19.3207 19.3207 k = 0.1067 0.1067-0.0000 ( 2131 PWs) bands (ev): -65.3155 -65.3155 -35.0776 -35.0776 -33.8758 -33.8758 -33.8699 -33.8699 3.3853 3.3853 10.8018 10.8018 10.8861 10.8861 12.9219 12.9219 13.0593 13.0593 13.1704 13.1704 17.4292 17.4292 17.8609 17.8609 19.2450 19.2450 k = 0.1000 0.1000-0.0000 ( 2135 PWs) bands (ev): -65.3166 -65.3166 -35.0771 -35.0771 -33.8750 -33.8750 -33.8698 -33.8698 3.3374 3.3374 10.7996 10.7996 10.8787 10.8787 12.9535 12.9535 13.0750 13.0750 13.1807 13.1807 17.5324 17.5324 17.9266 17.9266 19.1721 19.1721 k = 0.0933 0.0933-0.0000 ( 2137 PWs) bands (ev): -65.3173 -65.3173 -35.0767 -35.0767 -33.8742 -33.8742 -33.8696 -33.8696 3.2924 3.2924 10.7999 10.7999 10.8706 10.8706 12.9808 12.9808 13.0952 13.0952 13.1912 13.1912 17.6362 17.6362 17.9930 17.9930 19.1035 19.1035 k = 0.0867 0.0867-0.0000 ( 2133 PWs) bands (ev): -65.3165 -65.3165 -35.0762 -35.0762 -33.8734 -33.8734 -33.8694 -33.8694 3.2507 3.2507 10.8021 10.8021 10.8660 10.8660 13.0216 13.0216 13.1127 13.1127 13.2014 13.2014 17.7397 17.7397 18.0596 18.0596 19.0389 19.0389 k = 0.0800 0.0800-0.0000 ( 2133 PWs) bands (ev): -65.3167 -65.3167 -35.0758 -35.0758 -33.8727 -33.8727 -33.8693 -33.8693 3.2118 3.2118 10.8026 10.8026 10.8596 10.8596 13.0516 13.0516 13.1284 13.1284 13.2110 13.2110 17.8409 17.8409 18.1256 18.1256 18.9785 18.9785 k = 0.0733 0.0733-0.0000 ( 2133 PWs) bands (ev): -65.3169 -65.3169 -35.0755 -35.0755 -33.8720 -33.8720 -33.8691 -33.8691 3.1761 3.1761 10.8031 10.8031 10.8534 10.8534 13.0791 13.0791 13.1432 13.1432 13.2204 13.2204 17.9398 17.9398 18.1906 18.1906 18.9226 18.9226 k = 0.0667 0.0667-0.0000 ( 2133 PWs) bands (ev): -65.3170 -65.3170 -35.0751 -35.0751 -33.8714 -33.8714 -33.8690 -33.8690 3.1433 3.1433 10.8036 10.8036 10.8475 10.8475 13.1040 13.1040 13.1570 13.1570 13.2294 13.2294 18.0356 18.0356 18.2539 18.2539 18.8712 18.8712 k = 0.0600 0.0600-0.0000 ( 2123 PWs) bands (ev): -65.3149 -65.3149 -35.0748 -35.0748 -33.8708 -33.8708 -33.8688 -33.8688 3.1139 3.1139 10.8119 10.8119 10.8444 10.8444 13.1294 13.1294 13.1807 13.1807 13.2452 13.2452 18.1290 18.1290 18.3154 18.3154 18.8249 18.8249 k = 0.0533 0.0533-0.0000 ( 2115 PWs) bands (ev): -65.3133 -65.3133 -35.0745 -35.0745 -33.8702 -33.8702 -33.8687 -33.8687 3.0875 3.0875 10.8206 10.8206 10.8414 10.8414 13.1519 13.1519 13.1980 13.1980 13.2575 13.2575 18.2167 18.2167 18.3737 18.3737 18.7833 18.7833 k = 0.0467 0.0467-0.0000 ( 2113 PWs) bands (ev): -65.3130 -65.3130 -35.0742 -35.0742 -33.8698 -33.8698 -33.8686 -33.8686 3.0640 3.0640 10.8240 10.8240 10.8377 10.8377 13.1699 13.1699 13.2070 13.2070 13.2657 13.2657 18.2967 18.2967 18.4281 18.4281 18.7465 18.7465 k = 0.0400 0.0400-0.0000 ( 2107 PWs) bands (ev): -65.3117 -65.3117 -35.0740 -35.0740 -33.8693 -33.8693 -33.8685 -33.8685 3.0438 3.0438 10.8254 10.8254 10.8362 10.8362 13.1969 13.1969 13.2166 13.2166 13.2765 13.2765 18.3682 18.3682 18.4785 18.4785 18.7151 18.7151 k = 0.0333 0.0333-0.0000 ( 2107 PWs) bands (ev): -65.3119 -65.3119 -35.0738 -35.0738 -33.8690 -33.8690 -33.8684 -33.8684 3.0266 3.0266 10.8256 10.8256 10.8325 10.8325 13.2090 13.2090 13.2227 13.2227 13.2838 13.2838 18.4293 18.4293 18.5243 18.5243 18.6894 18.6894 k = 0.0267 0.0267-0.0000 ( 2107 PWs) bands (ev): -65.3119 -65.3119 -35.0737 -35.0737 -33.8687 -33.8687 -33.8684 -33.8684 3.0125 3.0125 10.8258 10.8258 10.8295 10.8295 13.2189 13.2189 13.2276 13.2276 13.2902 13.2902 18.4781 18.4781 18.5650 18.5650 18.6701 18.6701 k = 0.0200 0.0200-0.0000 ( 2107 PWs) bands (ev): -65.3120 -65.3120 -35.0736 -35.0736 -33.8685 -33.8685 -33.8683 -33.8683 3.0015 3.0015 10.8260 10.8260 10.8271 10.8271 13.2264 13.2264 13.2313 13.2313 13.2954 13.2954 18.5131 18.5131 18.5998 18.5998 18.6574 18.6574 k = 0.0133 0.0133-0.0000 ( 2107 PWs) bands (ev): -65.3121 -65.3121 -35.0735 -35.0735 -33.8684 -33.8684 -33.8683 -33.8683 2.9936 2.9936 10.8254 10.8254 10.8261 10.8261 13.2317 13.2317 13.2339 13.2339 13.2992 13.2992 18.5345 18.5345 18.6268 18.6268 18.6514 18.6514 k = 0.0067 0.0067-0.0000 ( 2107 PWs) bands (ev): -65.3121 -65.3121 -35.0734 -35.0734 -33.8683 -33.8683 -33.8683 -33.8683 2.9889 2.9889 10.8243 10.8243 10.8262 10.8262 13.2349 13.2349 13.2354 13.2354 13.3015 13.3015 18.5449 18.5449 18.6439 18.6439 18.6498 18.6498 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -65.3126 -65.3126 -35.0734 -35.0734 -33.8683 -33.8683 -33.8683 -33.8683 2.9873 2.9873 10.8229 10.8229 10.8229 10.8229 13.2360 13.2360 13.2360 13.2360 13.3023 13.3023 18.5478 18.5478 18.6498 18.6498 18.6498 18.6498 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -65.3126 -65.3126 -35.0734 -35.0734 -33.8683 -33.8683 -33.8683 -33.8683 2.9873 2.9873 10.8229 10.8229 10.8229 10.8229 13.2360 13.2360 13.2360 13.2360 13.3023 13.3023 18.5478 18.5478 18.6498 18.6498 18.6498 18.6498 k = 0.0054 0.0054 0.0054 ( 2109 PWs) bands (ev): -65.3125 -65.3125 -35.0734 -35.0734 -33.8683 -33.8683 -33.8683 -33.8683 2.9889 2.9889 10.8230 10.8230 10.8230 10.8230 13.2350 13.2350 13.2353 13.2353 13.3015 13.3015 18.5450 18.5450 18.6458 18.6458 18.6477 18.6477 k = 0.0109 0.0109 0.0109 ( 2106 PWs) bands (ev): -65.3119 -65.3119 -35.0735 -35.0735 -33.8683 -33.8683 -33.8683 -33.8683 2.9936 2.9936 10.8269 10.8269 10.8269 10.8269 13.2322 13.2322 13.2335 13.2335 13.2992 13.2992 18.5366 18.5366 18.6342 18.6342 18.6419 18.6419 k = 0.0163 0.0163 0.0163 ( 2106 PWs) bands (ev): -65.3118 -65.3118 -35.0736 -35.0736 -33.8684 -33.8684 -33.8684 -33.8684 3.0015 3.0015 10.8276 10.8276 10.8277 10.8277 13.2274 13.2274 13.2304 13.2304 13.2953 13.2953 18.5220 18.5220 18.6150 18.6150 18.6328 18.6328 k = 0.0217 0.0217 0.0217 ( 2106 PWs) bands (ev): -65.3117 -65.3117 -35.0737 -35.0737 -33.8686 -33.8686 -33.8685 -33.8685 3.0124 3.0124 10.8287 10.8287 10.8288 10.8288 13.2207 13.2207 13.2261 13.2261 13.2898 13.2898 18.5012 18.5012 18.5887 18.5887 18.6212 18.6212 k = 0.0272 0.0272 0.0272 ( 2106 PWs) bands (ev): -65.3116 -65.3116 -35.0738 -35.0738 -33.8687 -33.8687 -33.8687 -33.8687 3.0265 3.0265 10.8302 10.8302 10.8303 10.8303 13.2121 13.2121 13.2205 13.2205 13.2829 13.2829 18.4738 18.4738 18.5559 18.5559 18.6080 18.6080 k = 0.0326 0.0326 0.0326 ( 2106 PWs) bands (ev): -65.3115 -65.3115 -35.0740 -35.0740 -33.8689 -33.8689 -33.8689 -33.8689 3.0437 3.0437 10.8319 10.8319 10.8321 10.8321 13.2015 13.2015 13.2137 13.2137 13.2745 13.2745 18.4402 18.4402 18.5173 18.5173 18.5936 18.5936 k = 0.0380 0.0380 0.0380 ( 2112 PWs) bands (ev): -65.3127 -65.3127 -35.0742 -35.0742 -33.8692 -33.8692 -33.8691 -33.8691 3.0638 3.0638 10.8327 10.8327 10.8329 10.8329 13.1768 13.1768 13.2036 13.2036 13.2602 13.2602 18.4008 18.4008 18.4733 18.4733 18.5778 18.5778 k = 0.0435 0.0435 0.0435 ( 2118 PWs) bands (ev): -65.3140 -65.3140 -35.0745 -35.0745 -33.8696 -33.8696 -33.8694 -33.8694 3.0871 3.0871 10.8321 10.8321 10.8322 10.8322 13.1577 13.1577 13.1897 13.1897 13.2448 13.2448 18.3563 18.3563 18.4247 18.4247 18.5613 18.5613 k = 0.0489 0.0489 0.0489 ( 2118 PWs) bands (ev): -65.3138 -65.3138 -35.0748 -35.0748 -33.8699 -33.8699 -33.8697 -33.8697 3.1136 3.1136 10.8347 10.8347 10.8350 10.8350 13.1407 13.1407 13.1789 13.1789 13.2324 13.2324 18.3078 18.3078 18.3725 18.3725 18.5441 18.5441 k = 0.0543 0.0543 0.0543 ( 2130 PWs) bands (ev): -65.3164 -65.3164 -35.0751 -35.0751 -33.8703 -33.8703 -33.8701 -33.8701 3.1429 3.1429 10.8300 10.8300 10.8302 10.8302 13.1200 13.1200 13.1568 13.1568 13.2100 13.2100 18.2548 18.2548 18.3161 18.3161 18.5261 18.5261 k = 0.0598 0.0598 0.0598 ( 2130 PWs) bands (ev): -65.3162 -65.3162 -35.0755 -35.0755 -33.8707 -33.8707 -33.8704 -33.8704 3.1755 3.1755 10.8333 10.8333 10.8336 10.8336 13.0994 13.0994 13.1434 13.1434 13.1947 13.1947 18.1999 18.1999 18.2580 18.2580 18.5076 18.5076 k = 0.0652 0.0652 0.0652 ( 2130 PWs) bands (ev): -65.3161 -65.3161 -35.0758 -35.0758 -33.8711 -33.8711 -33.8708 -33.8708 3.2111 3.2111 10.8368 10.8368 10.8373 10.8373 13.0770 13.0770 13.1287 13.1287 13.1780 13.1780 18.1429 18.1429 18.1980 18.1980 18.4887 18.4887 k = 0.0707 0.0707 0.0707 ( 2139 PWs) bands (ev): -65.3179 -65.3179 -35.0763 -35.0763 -33.8717 -33.8717 -33.8713 -33.8713 3.2497 3.2497 10.8339 10.8339 10.8346 10.8346 13.0427 13.0427 13.1125 13.1125 13.1587 13.1587 18.0826 18.0826 18.1349 18.1349 18.4682 18.4682 k = 0.0761 0.0761 0.0761 ( 2139 PWs) bands (ev): -65.3177 -65.3177 -35.0767 -35.0767 -33.8722 -33.8722 -33.8717 -33.8717 3.2914 3.2914 10.8380 10.8380 10.8389 10.8389 13.0166 13.0166 13.0953 13.0953 13.1397 13.1397 18.0229 18.0229 18.0723 18.0723 18.4486 18.4486 k = 0.0815 0.0815 0.0815 ( 2145 PWs) bands (ev): -65.3189 -65.3189 -35.0772 -35.0772 -33.8727 -33.8727 -33.8722 -33.8722 3.3360 3.3360 10.8397 10.8397 10.8406 10.8406 12.9820 12.9820 13.0736 13.0736 13.1158 13.1158 17.9619 17.9619 18.0087 18.0087 18.4276 18.4276 k = 0.0870 0.0870 0.0870 ( 2133 PWs) bands (ev): -65.3160 -65.3160 -35.0776 -35.0776 -33.8732 -33.8732 -33.8727 -33.8727 3.3839 3.3839 10.8487 10.8487 10.8501 10.8501 12.9712 12.9712 13.0593 13.0593 13.1003 13.1003 17.9024 17.9024 17.9465 17.9465 18.4107 18.4107 k = 0.0924 0.0924 0.0924 ( 2133 PWs) bands (ev): -65.3158 -65.3158 -35.0781 -35.0781 -33.8737 -33.8737 -33.8732 -33.8732 3.4346 3.4346 10.8534 10.8534 10.8550 10.8550 12.9402 12.9402 13.0383 13.0383 13.0773 13.0773 17.8419 17.8419 17.8835 17.8835 18.3913 18.3913 k = 0.0978 0.0978 0.0978 ( 2142 PWs) bands (ev): -65.3177 -65.3177 -35.0787 -35.0787 -33.8744 -33.8744 -33.8739 -33.8739 3.4880 3.4880 10.8528 10.8528 10.8546 10.8546 12.9060 12.9060 13.0090 13.0090 13.0462 13.0462 17.7802 17.7802 17.8193 17.8193 18.3715 18.3715 k = 0.1033 0.1033 0.1033 ( 2136 PWs) bands (ev): -65.3162 -65.3162 -35.0792 -35.0792 -33.8750 -33.8750 -33.8744 -33.8744 3.5446 3.5446 10.8592 10.8592 10.8615 10.8615 12.8751 12.8751 12.9937 12.9937 13.0283 13.0283 17.7210 17.7210 17.7575 17.7575 18.3535 18.3535 k = 0.1087 0.1087 0.1087 ( 2136 PWs) bands (ev): -65.3160 -65.3160 -35.0798 -35.0798 -33.8757 -33.8757 -33.8750 -33.8750 3.6040 3.6040 10.8645 10.8645 10.8671 10.8671 12.8407 12.8407 12.9691 12.9691 13.0015 13.0015 17.6625 17.6625 17.6966 17.6966 18.3354 18.3354 k = 0.1141 0.1141 0.1141 ( 2139 PWs) bands (ev): -65.3165 -65.3165 -35.0804 -35.0804 -33.8764 -33.8764 -33.8757 -33.8757 3.6662 3.6662 10.8688 10.8688 10.8718 10.8718 12.8001 12.8001 12.9428 12.9428 12.9727 12.9727 17.6047 17.6047 17.6364 17.6364 18.3164 18.3164 k = 0.1196 0.1196 0.1196 ( 2133 PWs) bands (ev): -65.3149 -65.3149 -35.0810 -35.0810 -33.8771 -33.8771 -33.8764 -33.8764 3.7314 3.7314 10.8752 10.8752 10.8787 10.8787 12.7787 12.7787 12.9171 12.9171 12.9453 12.9453 17.5489 17.5489 17.5782 17.5782 18.3035 18.3035 k = 0.1250 0.1250 0.1250 ( 2139 PWs) bands (ev): -65.3161 -65.3161 -35.0817 -35.0817 -33.8778 -33.8778 -33.8771 -33.8771 3.7992 3.7992 10.8749 10.8749 10.8788 10.8788 12.7414 12.7414 12.8882 12.8882 12.9141 12.9141 17.4913 17.4913 17.5182 17.5182 18.2874 18.2874 k = 0.1304 0.1304 0.1304 ( 2133 PWs) bands (ev): -65.3146 -65.3146 -35.0823 -35.0823 -33.8786 -33.8786 -33.8778 -33.8778 3.8699 3.8699 10.8832 10.8832 10.8877 10.8877 12.7041 12.7041 12.8663 12.8663 12.8894 12.8894 17.4395 17.4395 17.4640 17.4640 18.2723 18.2723 k = 0.1359 0.1359 0.1359 ( 2133 PWs) bands (ev): -65.3144 -65.3144 -35.0830 -35.0830 -33.8793 -33.8793 -33.8785 -33.8785 3.9432 3.9432 10.8888 10.8888 10.8938 10.8938 12.6662 12.6662 12.8371 12.8371 12.8577 12.8577 17.3879 17.3879 17.4101 17.4101 18.2579 18.2579 k = 0.1413 0.1413 0.1413 ( 2127 PWs) bands (ev): -65.3128 -65.3128 -35.0837 -35.0837 -33.8801 -33.8801 -33.8793 -33.8793 4.0194 4.0194 10.8952 10.8952 10.9009 10.9009 12.6328 12.6328 12.8136 12.8136 12.8316 12.8316 17.3382 17.3382 17.3582 17.3582 18.2462 18.2462 k = 0.1467 0.1467 0.1467 ( 2130 PWs) bands (ev): -65.3133 -65.3133 -35.0844 -35.0844 -33.8810 -33.8810 -33.8801 -33.8801 4.0979 4.0979 10.9002 10.9002 10.9066 10.9066 12.5870 12.5870 12.7830 12.7830 12.7982 12.7982 17.2901 17.2901 17.3078 17.3078 18.2301 18.2301 k = 0.1522 0.1522 0.1522 ( 2130 PWs) bands (ev): -65.3131 -65.3131 -35.0852 -35.0852 -33.8818 -33.8818 -33.8809 -33.8809 4.1792 4.1792 10.9052 10.9052 10.9123 10.9123 12.5490 12.5490 12.7523 12.7523 12.7649 12.7649 17.2439 17.2439 17.2593 17.2593 18.2178 18.2178 k = 0.1576 0.1576 0.1576 ( 2130 PWs) bands (ev): -65.3129 -65.3129 -35.0860 -35.0860 -33.8827 -33.8827 -33.8817 -33.8817 4.2629 4.2629 10.9099 10.9099 10.9178 10.9178 12.5113 12.5113 12.7214 12.7214 12.7314 12.7314 17.1995 17.1995 17.2128 17.2128 18.2062 18.2062 k = 0.1630 0.1630 0.1630 ( 2130 PWs) bands (ev): -65.3127 -65.3127 -35.0867 -35.0867 -33.8835 -33.8835 -33.8826 -33.8826 4.3492 4.3492 10.9141 10.9141 10.9228 10.9228 12.4742 12.4742 12.6906 12.6906 12.6979 12.6979 17.1570 17.1570 17.1681 17.1681 18.1952 18.1952 k = 0.1685 0.1685 0.1685 ( 2142 PWs) bands (ev): -65.3151 -65.3151 -35.0876 -35.0876 -33.8845 -33.8845 -33.8835 -33.8835 4.4379 4.4379 10.9117 10.9117 10.9217 10.9217 12.4286 12.4286 12.6546 12.6546 12.6591 12.6591 17.1093 17.1093 17.1185 17.1185 18.1834 18.1834 k = 0.1739 0.1739 0.1739 ( 2142 PWs) bands (ev): -65.3148 -65.3148 -35.0884 -35.0884 -33.8854 -33.8854 -33.8844 -33.8844 4.5290 4.5290 10.9145 10.9145 10.9255 10.9255 12.3929 12.3929 12.6247 12.6247 12.6265 12.6265 17.0702 17.0702 17.0774 17.0774 18.1736 18.1736 k = 0.1793 0.1793 0.1793 ( 2142 PWs) bands (ev): -65.3146 -65.3146 -35.0892 -35.0892 -33.8863 -33.8863 -33.8853 -33.8853 4.6224 4.6224 10.9165 10.9165 10.9285 10.9285 12.3583 12.3583 12.5944 12.5944 12.5954 12.5954 17.0329 17.0329 17.0381 17.0381 18.1642 18.1642 k = 0.1848 0.1848 0.1848 ( 2142 PWs) bands (ev): -65.3143 -65.3143 -35.0900 -35.0900 -33.8872 -33.8872 -33.8862 -33.8862 4.7182 4.7182 10.9175 10.9175 10.9305 10.9305 12.3248 12.3248 12.5633 12.5633 12.5669 12.5669 16.9974 16.9974 17.0007 17.0007 18.1552 18.1552 k = 0.1902 0.1902 0.1902 ( 2142 PWs) bands (ev): -65.3140 -65.3140 -35.0909 -35.0909 -33.8882 -33.8882 -33.8872 -33.8872 4.8161 4.8161 10.9174 10.9174 10.9315 10.9315 12.2926 12.2926 12.5333 12.5333 12.5397 12.5397 16.9636 16.9636 16.9652 16.9652 18.1465 18.1465 k = 0.1957 0.1957 0.1957 ( 2145 PWs) bands (ev): -65.3144 -65.3144 -35.0917 -35.0917 -33.8892 -33.8892 -33.8881 -33.8881 4.9161 4.9161 10.9150 10.9150 10.9302 10.9302 12.2610 12.2610 12.5017 12.5017 12.5107 12.5107 16.9308 16.9308 16.9310 16.9310 18.1368 18.1368 k = 0.2011 0.2011 0.2011 ( 2145 PWs) bands (ev): -65.3141 -65.3141 -35.0926 -35.0926 -33.8901 -33.8901 -33.8890 -33.8890 5.0182 5.0182 10.9122 10.9122 10.9285 10.9285 12.2317 12.2317 12.4746 12.4746 12.4863 12.4863 16.8988 16.8988 16.9007 16.9007 18.1282 18.1282 k = 0.2065 0.2065 0.2065 ( 2151 PWs) bands (ev): -65.3152 -65.3152 -35.0935 -35.0935 -33.8911 -33.8911 -33.8900 -33.8900 5.1221 5.1221 10.9045 10.9045 10.9219 10.9219 12.2039 12.2039 12.4451 12.4451 12.4594 12.4594 16.8655 16.8655 16.8689 16.8689 18.1187 18.1187 k = 0.2120 0.2120 0.2120 ( 2145 PWs) bands (ev): -65.3136 -65.3136 -35.0944 -35.0944 -33.8921 -33.8921 -33.8909 -33.8909 5.2281 5.2281 10.8991 10.8991 10.9176 10.9176 12.1788 12.1788 12.4303 12.4303 12.4474 12.4474 16.8378 16.8378 16.8427 16.8427 18.1099 18.1099 k = 0.2174 0.2174 0.2174 ( 2151 PWs) bands (ev): -65.3146 -65.3146 -35.0953 -35.0953 -33.8931 -33.8931 -33.8919 -33.8919 5.3354 5.3354 10.8911 10.8911 10.9106 10.9106 12.1440 12.1440 12.4073 12.4073 12.4271 12.4271 16.8106 16.8106 16.8169 16.8169 18.0914 18.0914 k = 0.2228 0.2228 0.2228 ( 2157 PWs) bands (ev): -65.3157 -65.3157 -35.0962 -35.0962 -33.8941 -33.8941 -33.8929 -33.8929 5.4447 5.4447 10.8790 10.8790 10.8996 10.8996 12.1220 12.1220 12.3833 12.3833 12.4054 12.4054 16.7823 16.7823 16.7899 16.7899 18.0815 18.0815 k = 0.2283 0.2283 0.2283 ( 2151 PWs) bands (ev): -65.3141 -65.3141 -35.0970 -35.0970 -33.8950 -33.8950 -33.8939 -33.8939 5.5560 5.5560 10.8676 10.8676 10.8892 10.8892 12.1078 12.1078 12.3732 12.3732 12.3976 12.3976 16.7593 16.7593 16.7681 16.7681 18.0752 18.0752 k = 0.2337 0.2337 0.2337 ( 2157 PWs) bands (ev): -65.3152 -65.3152 -35.0979 -35.0979 -33.8961 -33.8961 -33.8949 -33.8949 5.6683 5.6683 10.8511 10.8511 10.8735 10.8735 12.0904 12.0904 12.3558 12.3558 12.3822 12.3822 16.7337 16.7337 16.7436 16.7436 18.0622 18.0622 k = 0.2391 0.2391 0.2391 ( 2157 PWs) bands (ev): -65.3149 -65.3149 -35.0988 -35.0988 -33.8971 -33.8971 -33.8959 -33.8959 5.7820 5.7820 10.8344 10.8344 10.8574 10.8574 12.0773 12.0773 12.3469 12.3469 12.3752 12.3752 16.7120 16.7120 16.7229 16.7229 18.0502 18.0502 k = 0.2446 0.2446 0.2446 ( 2157 PWs) bands (ev): -65.3147 -65.3147 -35.0997 -35.0997 -33.8980 -33.8980 -33.8969 -33.8969 5.8970 5.8970 10.8153 10.8153 10.8389 10.8389 12.0671 12.0671 12.3415 12.3415 12.3716 12.3716 16.6915 16.6915 16.7033 16.7033 18.0371 18.0371 k = 0.2500 0.2500 0.2500 ( 2157 PWs) bands (ev): -65.3144 -65.3144 -35.1006 -35.1006 -33.8990 -33.8990 -33.8979 -33.8979 6.0131 6.0131 10.7940 10.7940 10.8179 10.8179 12.0602 12.0602 12.3396 12.3396 12.3713 12.3713 16.6721 16.6721 16.6847 16.6847 18.0229 18.0229 k = 0.2554 0.2554 0.2554 ( 2157 PWs) bands (ev): -65.3141 -65.3141 -35.1015 -35.1015 -33.9000 -33.9000 -33.8989 -33.8989 6.1301 6.1301 10.7704 10.7704 10.7946 10.7946 12.0565 12.0565 12.3413 12.3413 12.3743 12.3743 16.6537 16.6537 16.6670 16.6670 18.0073 18.0073 k = 0.2609 0.2609 0.2609 ( 2157 PWs) bands (ev): -65.3138 -65.3138 -35.1024 -35.1024 -33.9010 -33.9010 -33.8998 -33.8998 6.2478 6.2478 10.7448 10.7448 10.7691 10.7691 12.0564 12.0564 12.3465 12.3465 12.3808 12.3808 16.6364 16.6364 16.6502 16.6502 17.9902 17.9902 k = 0.2663 0.2663 0.2663 ( 2166 PWs) bands (ev): -65.3155 -65.3155 -35.1033 -35.1033 -33.9019 -33.9019 -33.9009 -33.9009 6.3668 6.3668 10.7102 10.7102 10.7348 10.7348 12.0593 12.0593 12.3521 12.3521 12.3873 12.3873 16.6108 16.6108 16.6252 16.6252 17.9751 17.9751 k = 0.2717 0.2717 0.2717 ( 2160 PWs) bands (ev): -65.3139 -65.3139 -35.1042 -35.1042 -33.9028 -33.9028 -33.9019 -33.9019 6.4859 6.4859 10.6816 10.6816 10.7060 10.7060 12.0671 12.0671 12.3715 12.3715 12.4076 12.4076 16.5967 16.5967 16.6115 16.6115 17.9555 17.9555 k = 0.2772 0.2772 0.2772 ( 2160 PWs) bands (ev): -65.3136 -65.3136 -35.1050 -35.1050 -33.9038 -33.9038 -33.9028 -33.9028 6.6051 6.6051 10.6504 10.6504 10.6745 10.6745 12.0782 12.0782 12.3870 12.3870 12.4237 12.4237 16.5816 16.5816 16.5965 16.5965 17.9325 17.9325 k = 0.2826 0.2826 0.2826 ( 2160 PWs) bands (ev): -65.3133 -65.3133 -35.1059 -35.1059 -33.9047 -33.9047 -33.9038 -33.9038 6.7243 6.7243 10.6177 10.6177 10.6415 10.6415 12.0936 12.0936 12.4057 12.4057 12.4429 12.4429 16.5671 16.5671 16.5822 16.5822 17.9073 17.9073 k = 0.2880 0.2880 0.2880 ( 2166 PWs) bands (ev): -65.3143 -65.3143 -35.1068 -35.1068 -33.9057 -33.9057 -33.9048 -33.9048 6.8433 6.8433 10.5834 10.5834 10.6069 10.6069 12.1142 12.1142 12.4184 12.4184 12.4556 12.4556 16.5506 16.5506 16.5657 16.5657 17.8797 17.8797 k = 0.2935 0.2935 0.2935 ( 2160 PWs) bands (ev): -65.3127 -65.3127 -35.1076 -35.1076 -33.9066 -33.9066 -33.9057 -33.9057 6.9626 6.9626 10.5489 10.5489 10.5719 10.5719 12.1402 12.1402 12.4495 12.4495 12.4868 12.4868 16.5385 16.5385 16.5534 16.5534 17.8523 17.8523 k = 0.2989 0.2989 0.2989 ( 2160 PWs) bands (ev): -65.3125 -65.3125 -35.1084 -35.1084 -33.9075 -33.9075 -33.9067 -33.9067 7.0809 7.0809 10.5130 10.5130 10.5354 10.5354 12.1690 12.1690 12.4765 12.4765 12.5138 12.5138 16.5253 16.5253 16.5399 16.5399 17.8194 17.8194 k = 0.3043 0.3043 0.3043 ( 2160 PWs) bands (ev): -65.3122 -65.3122 -35.1093 -35.1093 -33.9084 -33.9084 -33.9076 -33.9076 7.1985 7.1985 10.4764 10.4764 10.4983 10.4983 12.2027 12.2027 12.5062 12.5062 12.5433 12.5433 16.5124 16.5124 16.5266 16.5266 17.7837 17.7837 k = 0.3098 0.3098 0.3098 ( 2157 PWs) bands (ev): -65.3113 -65.3113 -35.1101 -35.1101 -33.9092 -33.9092 -33.9085 -33.9085 7.3155 7.3155 10.4392 10.4392 10.4605 10.4605 12.2434 12.2434 12.5412 12.5412 12.5780 12.5780 16.5003 16.5003 16.5140 16.5140 17.7473 17.7473 k = 0.3152 0.3152 0.3152 ( 2157 PWs) bands (ev): -65.3110 -65.3110 -35.1109 -35.1109 -33.9101 -33.9101 -33.9094 -33.9094 7.4309 7.4309 10.4017 10.4017 10.4224 10.4224 12.2873 12.2873 12.5757 12.5757 12.6121 12.6121 16.4877 16.4877 16.5007 16.5007 17.7055 17.7055 k = 0.3207 0.3207 0.3207 ( 2157 PWs) bands (ev): -65.3107 -65.3107 -35.1117 -35.1117 -33.9110 -33.9110 -33.9103 -33.9103 7.5449 7.5449 10.3639 10.3639 10.3841 10.3841 12.3365 12.3365 12.6126 12.6126 12.6483 12.6483 16.4752 16.4752 16.4874 16.4874 17.6606 17.6606 k = 0.3261 0.3261 0.3261 ( 2151 PWs) bands (ev): -65.3091 -65.3091 -35.1124 -35.1124 -33.9117 -33.9117 -33.9112 -33.9112 7.6591 7.6591 10.3264 10.3264 10.3460 10.3460 12.3974 12.3974 12.6545 12.6545 12.6893 12.6893 16.4629 16.4629 16.4741 16.4741 17.6200 17.6200 k = 0.3315 0.3315 0.3315 ( 2151 PWs) bands (ev): -65.3088 -65.3088 -35.1132 -35.1132 -33.9125 -33.9125 -33.9120 -33.9120 7.7697 7.7697 10.2887 10.2887 10.3078 10.3078 12.4573 12.4573 12.6955 12.6955 12.7292 12.7292 16.4502 16.4502 16.4602 16.4602 17.5685 17.5685 k = 0.3370 0.3370 0.3370 ( 2151 PWs) bands (ev): -65.3085 -65.3085 -35.1139 -35.1139 -33.9134 -33.9134 -33.9129 -33.9129 7.8782 7.8782 10.2513 10.2513 10.2698 10.2698 12.5227 12.5227 12.7386 12.7386 12.7709 12.7709 16.4374 16.4374 16.4460 16.4460 17.5140 17.5140 k = 0.3424 0.3424 0.3424 ( 2148 PWs) bands (ev): -65.3076 -65.3076 -35.1146 -35.1146 -33.9141 -33.9141 -33.9137 -33.9137 7.9844 7.9844 10.2159 10.2159 10.2340 10.2340 12.5936 12.5936 12.7855 12.7855 12.8161 12.8161 16.4247 16.4247 16.4319 16.4319 17.4565 17.4565 k = 0.3478 0.3478 0.3478 ( 2154 PWs) bands (ev): -65.3086 -65.3086 -35.1154 -35.1154 -33.9149 -33.9149 -33.9145 -33.9145 8.0875 8.0875 10.1783 10.1783 10.1959 10.1959 12.6679 12.6679 12.8270 12.8270 12.8546 12.8546 16.4102 16.4102 16.4157 16.4157 17.3941 17.3941 k = 0.3533 0.3533 0.3533 ( 2154 PWs) bands (ev): -65.3083 -65.3083 -35.1161 -35.1161 -33.9157 -33.9157 -33.9153 -33.9153 8.1886 8.1886 10.1422 10.1422 10.1592 10.1592 12.7483 12.7483 12.8774 12.8774 12.9007 12.9007 16.3962 16.3962 16.3998 16.3998 17.3313 17.3313 k = 0.3587 0.3587 0.3587 ( 2169 PWs) bands (ev): -65.3115 -65.3115 -35.1168 -35.1168 -33.9165 -33.9165 -33.9161 -33.9161 8.2857 8.2857 10.1009 10.1009 10.1176 10.1176 12.8257 12.8257 12.9245 12.9245 12.9390 12.9390 16.3739 16.3739 16.3754 16.3754 17.2636 17.2636 k = 0.3641 0.3641 0.3641 ( 2169 PWs) bands (ev): -65.3112 -65.3112 -35.1175 -35.1175 -33.9172 -33.9172 -33.9169 -33.9169 8.3809 8.3809 10.0661 10.0661 10.0824 10.0824 12.9055 12.9055 12.9875 12.9875 12.9899 12.9899 16.3582 16.3582 16.3589 16.3589 17.1963 17.1963 k = 0.3696 0.3696 0.3696 ( 2175 PWs) bands (ev): -65.3123 -65.3123 -35.1181 -35.1181 -33.9180 -33.9180 -33.9176 -33.9176 8.4702 8.4702 10.0320 10.0320 10.0479 10.0479 12.9719 12.9719 13.0337 13.0337 13.0671 13.0671 16.3397 16.3397 16.3429 16.3429 17.1224 17.1224 k = 0.3750 0.3750 0.3750 ( 2175 PWs) bands (ev): -65.3120 -65.3120 -35.1188 -35.1188 -33.9186 -33.9186 -33.9183 -33.9183 8.5589 8.5589 9.9989 9.9989 10.0145 10.0145 13.0334 13.0334 13.0841 13.0841 13.1644 13.1644 16.3207 16.3207 16.3265 16.3265 17.0521 17.0521 k = 0.3804 0.3804 0.3804 ( 2176 PWs) bands (ev): -65.3120 -65.3120 -35.1194 -35.1194 -33.9193 -33.9193 -33.9190 -33.9190 8.6435 8.6435 9.9669 9.9669 9.9820 9.9820 13.0906 13.0906 13.1353 13.1353 13.2712 13.2712 16.3008 16.3008 16.3094 16.3094 16.9797 16.9797 k = 0.3859 0.3859 0.3859 ( 2182 PWs) bands (ev): -65.3131 -65.3131 -35.1200 -35.1200 -33.9199 -33.9199 -33.9197 -33.9197 8.7253 8.7253 9.9347 9.9347 9.9496 9.9496 13.1398 13.1398 13.1802 13.1802 13.3856 13.3856 16.2759 16.2759 16.2877 16.2877 16.9074 16.9074 k = 0.3913 0.3913 0.3913 ( 2182 PWs) bands (ev): -65.3129 -65.3129 -35.1205 -35.1205 -33.9205 -33.9205 -33.9203 -33.9203 8.8039 8.8039 9.9048 9.9048 9.9193 9.9193 13.1949 13.1949 13.2324 13.2324 13.5073 13.5073 16.2540 16.2540 16.2690 16.2690 16.8350 16.8350 k = 0.3967 0.3967 0.3967 ( 2182 PWs) bands (ev): -65.3127 -65.3127 -35.1210 -35.1210 -33.9211 -33.9211 -33.9209 -33.9209 8.8791 8.8791 9.8760 9.8760 9.8903 9.8903 13.2498 13.2498 13.2850 13.2850 13.6343 13.6343 16.2311 16.2311 16.2495 16.2495 16.7627 16.7627 k = 0.4022 0.4022 0.4022 ( 2170 PWs) bands (ev): -65.3097 -65.3097 -35.1215 -35.1215 -33.9215 -33.9215 -33.9214 -33.9214 8.9572 8.9572 9.8488 9.8488 9.8627 9.8627 13.3120 13.3120 13.3451 13.3451 13.7739 13.7739 16.2137 16.2137 16.2356 16.2356 16.6953 16.6953 k = 0.4076 0.4076 0.4076 ( 2170 PWs) bands (ev): -65.3095 -65.3095 -35.1220 -35.1220 -33.9221 -33.9221 -33.9219 -33.9219 9.0255 9.0255 9.8224 9.8224 9.8360 9.8360 13.3671 13.3671 13.3981 13.3981 13.9091 13.9091 16.1883 16.1883 16.2139 16.2139 16.6239 16.6239 k = 0.4130 0.4130 0.4130 ( 2170 PWs) bands (ev): -65.3093 -65.3093 -35.1224 -35.1224 -33.9225 -33.9225 -33.9225 -33.9225 9.0903 9.0903 9.7973 9.7973 9.8107 9.8107 13.4219 13.4219 13.4509 13.4509 14.0480 14.0480 16.1619 16.1619 16.1915 16.1915 16.5538 16.5538 k = 0.4185 0.4185 0.4185 ( 2170 PWs) bands (ev): -65.3091 -65.3091 -35.1229 -35.1229 -33.9230 -33.9230 -33.9229 -33.9229 9.1516 9.1516 9.7736 9.7736 9.7868 9.7868 13.4763 13.4763 13.5032 13.5032 14.1898 14.1898 16.1347 16.1347 16.1683 16.1683 16.4855 16.4855 k = 0.4239 0.4239 0.4239 ( 2170 PWs) bands (ev): -65.3089 -65.3089 -35.1233 -35.1233 -33.9234 -33.9234 -33.9234 -33.9234 9.2092 9.2092 9.7512 9.7512 9.7642 9.7642 13.5301 13.5301 13.5549 13.5549 14.3339 14.3339 16.1067 16.1067 16.1444 16.1444 16.4194 16.4194 k = 0.4293 0.4293 0.4293 ( 2170 PWs) bands (ev): -65.3087 -65.3087 -35.1236 -35.1236 -33.9238 -33.9238 -33.9238 -33.9238 9.2632 9.2632 9.7303 9.7303 9.7432 9.7432 13.5829 13.5829 13.6056 13.6056 14.4796 14.4796 16.0782 16.0782 16.1201 16.1201 16.3559 16.3559 k = 0.4348 0.4348 0.4348 ( 2179 PWs) bands (ev): -65.3105 -65.3105 -35.1240 -35.1240 -33.9243 -33.9243 -33.9243 -33.9243 9.3129 9.3129 9.7081 9.7081 9.7208 9.7208 13.6243 13.6243 13.6448 13.6448 14.6258 14.6258 16.0482 16.0482 16.0945 16.0945 16.2951 16.2951 k = 0.4402 0.4402 0.4402 ( 2191 PWs) bands (ev): -65.3131 -65.3131 -35.1244 -35.1244 -33.9247 -33.9247 -33.9247 -33.9247 9.3571 9.3571 9.6872 9.6872 9.6997 9.6997 13.6607 13.6607 13.6789 13.6789 14.7708 14.7708 16.0184 16.0184 16.0689 16.0689 16.2373 16.2373 k = 0.4457 0.4457 0.4457 ( 2197 PWs) bands (ev): -65.3143 -65.3143 -35.1247 -35.1247 -33.9251 -33.9251 -33.9250 -33.9250 9.3973 9.3973 9.6689 9.6689 9.6813 9.6813 13.7038 13.7038 13.7198 13.7198 14.9144 14.9144 15.9899 15.9899 16.0445 16.0445 16.1833 16.1833 k = 0.4511 0.4511 0.4511 ( 2200 PWs) bands (ev): -65.3149 -65.3149 -35.1250 -35.1250 -33.9255 -33.9255 -33.9253 -33.9253 9.4264 9.4264 9.6547 9.6547 9.6669 9.6669 13.7544 13.7544 13.7683 13.7683 15.0524 15.0524 15.9636 15.9636 16.0220 16.0220 16.1325 16.1325 k = 0.4565 0.4565 0.4565 ( 2200 PWs) bands (ev): -65.3148 -65.3148 -35.1253 -35.1253 -33.9258 -33.9258 -33.9256 -33.9256 9.4610 9.4610 9.6411 9.6411 9.6533 9.6533 13.7969 13.7969 13.8085 13.8085 15.1903 15.1903 15.9370 15.9370 15.9990 15.9990 16.0877 16.0877 k = 0.4620 0.4620 0.4620 ( 2194 PWs) bands (ev): -65.3134 -65.3134 -35.1255 -35.1255 -33.9259 -33.9259 -33.9258 -33.9258 9.4916 9.4916 9.6307 9.6307 9.6429 9.6429 13.8444 13.8444 13.8537 13.8537 15.3216 15.3216 15.9130 15.9130 15.9778 15.9778 16.0474 16.0474 k = 0.4674 0.4674 0.4674 ( 2188 PWs) bands (ev): -65.3119 -65.3119 -35.1256 -35.1256 -33.9261 -33.9261 -33.9260 -33.9260 9.5187 9.5187 9.6234 9.6234 9.6357 9.6357 13.8837 13.8837 13.8909 13.8909 15.4438 15.4438 15.8910 15.8910 15.9577 15.9577 16.0121 16.0121 k = 0.4728 0.4728 0.4728 ( 2182 PWs) bands (ev): -65.3105 -65.3105 -35.1258 -35.1258 -33.9262 -33.9262 -33.9261 -33.9261 9.5437 9.5437 9.6149 9.6149 9.6274 9.6274 13.9234 13.9234 13.9286 13.9286 15.5538 15.5538 15.8730 15.8730 15.9399 15.9399 15.9818 15.9818 k = 0.4783 0.4783 0.4783 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1259 -35.1259 -33.9263 -33.9263 -33.9263 -33.9263 9.5666 9.5666 9.6085 9.6085 9.6214 9.6214 13.9535 13.9535 13.9569 13.9569 15.6470 15.6470 15.8606 15.8606 15.9243 15.9243 15.9567 15.9567 k = 0.4837 0.4837 0.4837 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1260 -35.1260 -33.9264 -33.9264 -33.9264 -33.9264 9.5805 9.5805 9.6028 9.6028 9.6164 9.6164 13.9745 13.9745 13.9765 13.9765 15.7159 15.7159 15.8580 15.8580 15.9117 15.9117 15.9369 15.9369 k = 0.4891 0.4891 0.4891 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1260 -35.1260 -33.9265 -33.9265 -33.9265 -33.9265 9.5897 9.5897 9.5988 9.5988 9.6136 9.6136 13.9898 13.9898 13.9907 13.9907 15.7542 15.7542 15.8697 15.8697 15.9024 15.9024 15.9228 15.9228 k = 0.4946 0.4946 0.4946 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1261 -35.1261 -33.9265 -33.9265 -33.9265 -33.9265 9.5943 9.5943 9.5963 9.5963 9.6128 9.6128 13.9992 13.9992 13.9994 13.9994 15.7677 15.7677 15.8873 15.8873 15.8967 15.8967 15.9144 15.9144 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1261 -35.1261 -33.9265 -33.9265 -33.9265 -33.9265 9.5955 9.5955 9.5955 9.5955 9.6128 9.6128 14.0023 14.0023 14.0023 14.0023 15.7704 15.7704 15.8948 15.8948 15.8948 15.8948 15.9118 15.9118 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1261 -35.1261 -33.9265 -33.9265 -33.9265 -33.9265 9.5955 9.5955 9.5955 9.5955 9.6128 9.6128 14.0023 14.0023 14.0023 14.0023 15.7704 15.7704 15.8948 15.8948 15.8948 15.8948 15.9118 15.9118 k = 0.4933 0.5000 0.4933 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1261 -35.1261 -33.9265 -33.9265 -33.9265 -33.9265 9.5943 9.5943 9.5963 9.5963 9.6128 9.6128 13.9978 13.9978 14.0008 14.0008 15.7678 15.7678 15.8874 15.8874 15.8965 15.8965 15.9144 15.9144 k = 0.4867 0.5000 0.4867 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1260 -35.1260 -33.9265 -33.9265 -33.9264 -33.9264 9.5899 9.5899 9.5986 9.5986 9.6135 9.6135 13.9844 13.9844 13.9961 13.9961 15.7566 15.7566 15.8652 15.8652 15.9041 15.9041 15.9231 15.9231 k = 0.4800 0.5000 0.4800 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1260 -35.1260 -33.9265 -33.9265 -33.9263 -33.9263 9.5810 9.5810 9.6025 9.6025 9.6162 9.6162 13.9626 13.9626 13.9883 13.9883 15.7310 15.7310 15.8297 15.8297 15.9223 15.9223 15.9389 15.9389 k = 0.4733 0.5000 0.4733 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1259 -35.1259 -33.9265 -33.9265 -33.9261 -33.9261 9.5677 9.5677 9.6078 9.6078 9.6211 9.6211 13.9332 13.9332 13.9770 13.9770 15.6891 15.6891 15.7831 15.7831 15.9502 15.9502 15.9646 15.9646 k = 0.4667 0.5000 0.4667 ( 2184 PWs) bands (ev): -65.3110 -65.3110 -35.1258 -35.1258 -33.9264 -33.9264 -33.9259 -33.9259 9.5491 9.5491 9.6102 9.6102 9.6267 9.6267 13.8880 13.8880 13.9547 13.9547 15.6325 15.6325 15.7272 15.7272 15.9806 15.9806 16.0053 16.0053 k = 0.4600 0.5000 0.4600 ( 2188 PWs) bands (ev): -65.3119 -65.3119 -35.1256 -35.1256 -33.9264 -33.9264 -33.9257 -33.9257 9.5266 9.5266 9.6171 9.6171 9.6353 9.6353 13.8373 13.8373 13.9332 13.9332 15.5644 15.5644 15.6639 15.6639 16.0143 16.0143 16.0584 16.0584 k = 0.4533 0.5000 0.4533 ( 2192 PWs) bands (ev): -65.3129 -65.3129 -35.1254 -35.1254 -33.9264 -33.9264 -33.9253 -33.9253 9.4987 9.4987 9.6251 9.6251 9.6452 9.6452 13.7860 13.7860 13.9094 13.9094 15.4879 15.4879 15.5940 15.5940 16.0529 16.0529 16.1208 16.1208 k = 0.4467 0.5000 0.4467 ( 2192 PWs) bands (ev): -65.3130 -65.3130 -35.1252 -35.1252 -33.9263 -33.9263 -33.9249 -33.9249 9.4701 9.4701 9.6346 9.6346 9.6581 9.6581 13.7355 13.7355 13.8807 13.8807 15.4061 15.4061 15.5196 15.5196 16.0968 16.0968 16.1911 16.1911 k = 0.4400 0.5000 0.4400 ( 2200 PWs) bands (ev): -65.3148 -65.3148 -35.1250 -35.1250 -33.9263 -33.9263 -33.9245 -33.9245 9.4346 9.4346 9.6441 9.6441 9.6707 9.6707 13.6730 13.6730 13.8411 13.8411 15.3202 15.3202 15.4397 15.4397 16.1456 16.1456 16.2664 16.2664 k = 0.4333 0.5000 0.4333 ( 2186 PWs) bands (ev): -65.3117 -65.3117 -35.1247 -35.1247 -33.9261 -33.9261 -33.9239 -33.9239 9.4026 9.4026 9.6649 9.6649 9.6877 9.6877 13.6260 13.6260 13.8144 13.8144 15.2360 15.2360 15.3594 15.3594 16.2002 16.2002 16.3500 16.3500 k = 0.4267 0.5000 0.4267 ( 2194 PWs) bands (ev): -65.3137 -65.3137 -35.1244 -35.1244 -33.9261 -33.9261 -33.9234 -33.9234 9.3635 9.3635 9.6743 9.6743 9.7020 9.7020 13.5571 13.5571 13.7661 13.7661 15.1500 15.1500 15.2744 15.2744 16.2592 16.2592 16.4348 16.4348 k = 0.4200 0.5000 0.4200 ( 2190 PWs) bands (ev): -65.3130 -65.3130 -35.1241 -35.1241 -33.9260 -33.9260 -33.9228 -33.9228 9.3261 9.3261 9.6879 9.6879 9.7219 9.7219 13.4986 13.4986 13.7133 13.7133 15.0710 15.0710 15.1907 15.1907 16.3237 16.3237 16.5263 16.5263 k = 0.4133 0.5000 0.4133 ( 2186 PWs) bands (ev): -65.3123 -65.3123 -35.1237 -35.1237 -33.9258 -33.9258 -33.9221 -33.9221 9.2856 9.2856 9.7011 9.7011 9.7440 9.7440 13.4470 13.4470 13.6465 13.6465 14.9952 14.9952 15.1061 15.1061 16.3928 16.3928 16.6233 16.6233 k = 0.4067 0.5000 0.4067 ( 2186 PWs) bands (ev): -65.3124 -65.3124 -35.1234 -35.1234 -33.9257 -33.9257 -33.9214 -33.9214 9.2398 9.2398 9.7131 9.7131 9.7671 9.7671 13.3857 13.3857 13.5804 13.5804 14.9264 14.9264 15.0181 15.0181 16.4658 16.4658 16.7219 16.7219 k = 0.4000 0.5000 0.4000 ( 2174 PWs) bands (ev): -65.3099 -65.3099 -35.1229 -35.1229 -33.9255 -33.9255 -33.9205 -33.9205 9.1970 9.1970 9.7254 9.7254 9.7957 9.7957 13.3392 13.3392 13.5096 13.5096 14.8659 14.8659 14.9353 14.9353 16.5444 16.5444 16.8275 16.8275 k = 0.3933 0.5000 0.3933 ( 2174 PWs) bands (ev): -65.3102 -65.3102 -35.1225 -35.1225 -33.9254 -33.9254 -33.9197 -33.9197 9.1470 9.1470 9.7364 9.7364 9.8221 9.8221 13.2768 13.2768 13.4317 13.4317 14.8098 14.8098 14.8475 14.8475 16.6258 16.6258 16.9321 16.9321 k = 0.3867 0.5000 0.3867 ( 2170 PWs) bands (ev): -65.3095 -65.3095 -35.1220 -35.1220 -33.9252 -33.9252 -33.9189 -33.9189 9.0966 9.0966 9.7466 9.7466 9.8525 9.8525 13.2191 13.2191 13.3499 13.3499 14.7548 14.7548 14.7670 14.7670 16.7114 16.7114 17.0406 17.0406 k = 0.3800 0.5000 0.3800 ( 2174 PWs) bands (ev): -65.3106 -65.3106 -35.1216 -35.1216 -33.9251 -33.9251 -33.9180 -33.9180 9.0429 9.0429 9.7554 9.7554 9.8783 9.8783 13.1557 13.1557 13.2619 13.2619 14.6711 14.6711 14.7182 14.7182 16.8001 16.8001 17.1498 17.1498 k = 0.3733 0.5000 0.3733 ( 2176 PWs) bands (ev): -65.3113 -65.3113 -35.1211 -35.1211 -33.9250 -33.9250 -33.9171 -33.9171 8.9878 8.9878 9.7610 9.7610 9.9094 9.9094 13.0924 13.0924 13.1747 13.1747 14.5838 14.5838 14.6796 14.6796 16.8922 16.8922 17.2615 17.2615 k = 0.3667 0.5000 0.3667 ( 2168 PWs) bands (ev): -65.3097 -65.3097 -35.1206 -35.1206 -33.9247 -33.9247 -33.9161 -33.9161 8.9338 8.9338 9.7678 9.7678 9.9438 9.9438 13.0343 13.0343 13.0942 13.0942 14.5008 14.5008 14.6543 14.6543 16.9887 16.9887 17.3776 17.3776 k = 0.3600 0.5000 0.3600 ( 2172 PWs) bands (ev): -65.3108 -65.3108 -35.1201 -35.1201 -33.9246 -33.9246 -33.9151 -33.9151 8.8754 8.8754 9.7686 9.7686 9.9776 9.9776 12.9625 12.9625 13.0149 13.0149 14.4131 14.4131 14.6250 14.6250 17.0867 17.0867 17.4924 17.4924 k = 0.3533 0.5000 0.3533 ( 2172 PWs) bands (ev): -65.3110 -65.3110 -35.1195 -35.1195 -33.9244 -33.9244 -33.9141 -33.9141 8.8180 8.8180 9.7681 9.7681 10.0131 10.0131 12.8872 12.8872 12.9460 12.9460 14.3291 14.3291 14.5991 14.5991 17.1886 17.1886 17.6096 17.6096 k = 0.3467 0.5000 0.3467 ( 2170 PWs) bands (ev): -65.3108 -65.3108 -35.1190 -35.1190 -33.9242 -33.9242 -33.9130 -33.9130 8.7599 8.7599 9.7654 9.7654 10.0500 10.0500 12.8129 12.8129 12.8840 12.8840 14.2464 14.2464 14.5763 14.5763 17.2933 17.2933 17.7284 17.7284 k = 0.3400 0.5000 0.3400 ( 2170 PWs) bands (ev): -65.3111 -65.3111 -35.1184 -35.1184 -33.9240 -33.9240 -33.9119 -33.9119 8.7013 8.7013 9.7572 9.7572 10.0884 10.0884 12.7377 12.7377 12.8247 12.8247 14.1650 14.1650 14.5559 14.5559 17.4009 17.4009 17.8487 17.8487 k = 0.3333 0.5000 0.3333 ( 2158 PWs) bands (ev): -65.3086 -65.3086 -35.1177 -35.1177 -33.9237 -33.9237 -33.9107 -33.9107 8.6446 8.6446 9.7460 9.7460 10.1347 10.1347 12.6735 12.6735 12.7733 12.7733 14.0909 14.0909 14.5403 14.5403 17.5129 17.5129 17.9723 17.9723 k = 0.3267 0.5000 0.3267 ( 2162 PWs) bands (ev): -65.3098 -65.3098 -35.1172 -35.1172 -33.9236 -33.9236 -33.9096 -33.9096 8.5832 8.5832 9.7273 9.7273 10.1749 10.1749 12.6076 12.6076 12.7170 12.7170 14.0076 14.0076 14.5228 14.5228 17.6238 17.6238 18.0948 18.0948 k = 0.3200 0.5000 0.3200 ( 2162 PWs) bands (ev): -65.3100 -65.3100 -35.1165 -35.1165 -33.9234 -33.9234 -33.9084 -33.9084 8.5238 8.5238 9.7041 9.7041 10.2171 10.2171 12.5483 12.5483 12.6634 12.6634 13.9304 13.9304 14.5079 14.5079 17.7388 17.7388 18.2191 18.2191 k = 0.3133 0.5000 0.3133 ( 2156 PWs) bands (ev): -65.3090 -65.3090 -35.1159 -35.1159 -33.9231 -33.9231 -33.9071 -33.9071 8.4665 8.4665 9.6743 9.6743 10.2605 10.2605 12.5000 12.5000 12.6204 12.6204 13.8614 13.8614 14.4883 14.4883 17.8584 17.8584 18.3481 18.3481 k = 0.3067 0.5000 0.3067 ( 2156 PWs) bands (ev): -65.3093 -65.3093 -35.1152 -35.1152 -33.9229 -33.9229 -33.9059 -33.9059 8.4072 8.4072 9.6397 9.6397 10.3050 10.3050 12.4547 12.4547 12.5699 12.5699 13.7875 13.7875 14.4760 14.4760 17.9779 17.9779 18.4745 18.4745 k = 0.3000 0.5000 0.3000 ( 2158 PWs) bands (ev): -65.3100 -65.3100 -35.1146 -35.1146 -33.9227 -33.9227 -33.9046 -33.9046 8.3471 8.3471 9.5989 9.5989 10.3506 10.3506 12.4166 12.4166 12.5213 12.5213 13.7125 13.7125 14.4625 14.4625 18.0984 18.0984 18.6019 18.6019 k = 0.2933 0.5000 0.2933 ( 2158 PWs) bands (ev): -65.3103 -65.3103 -35.1139 -35.1139 -33.9225 -33.9225 -33.9034 -33.9034 8.2883 8.2883 9.5530 9.5530 10.3973 10.3973 12.3852 12.3852 12.4754 12.4754 13.6418 13.6418 14.4519 14.4519 18.2220 18.2220 18.7302 18.7302 k = 0.2867 0.5000 0.2867 ( 2154 PWs) bands (ev): -65.3096 -65.3096 -35.1133 -35.1133 -33.9222 -33.9222 -33.9021 -33.9021 8.2305 8.2305 9.5024 9.5024 10.4455 10.4455 12.3601 12.3601 12.4340 12.4340 13.5751 13.5751 14.4513 14.4513 18.3484 18.3484 18.8593 18.8593 k = 0.2800 0.5000 0.2800 ( 2162 PWs) bands (ev): -65.3117 -65.3117 -35.1126 -35.1126 -33.9220 -33.9220 -33.9008 -33.9008 8.1720 8.1720 9.4448 9.4448 10.4940 10.4940 12.3249 12.3249 12.3919 12.3919 13.5054 13.5054 14.4402 14.4402 18.4747 18.4747 18.9868 18.9869 k = 0.2733 0.5000 0.2733 ( 2162 PWs) bands (ev): -65.3120 -65.3120 -35.1119 -35.1119 -33.9218 -33.9218 -33.8995 -33.8995 8.1147 8.1147 9.3839 9.3839 10.5434 10.5434 12.2959 12.2959 12.3691 12.3691 13.4398 13.4398 14.4316 14.4316 18.6038 18.6038 19.1171 19.1171 k = 0.2667 0.5000 0.2667 ( 2162 PWs) bands (ev): -65.3122 -65.3122 -35.1113 -35.1113 -33.9215 -33.9215 -33.8982 -33.8982 8.0582 8.0582 9.3190 9.3190 10.5936 10.5936 12.2607 12.2607 12.3605 12.3605 13.3758 13.3758 14.4236 14.4236 18.7346 18.7346 19.2435 19.2435 k = 0.2600 0.5000 0.2600 ( 2166 PWs) bands (ev): -65.3134 -65.3134 -35.1106 -35.1106 -33.9213 -33.9213 -33.8969 -33.8969 8.0019 8.0019 9.2502 9.2502 10.6440 10.6440 12.2177 12.2177 12.3592 12.3592 13.3117 13.3117 14.4151 14.4151 18.8662 18.8662 19.2827 19.2827 k = 0.2533 0.5000 0.2533 ( 2166 PWs) bands (ev): -65.3137 -65.3137 -35.1099 -35.1099 -33.9211 -33.9211 -33.8956 -33.8956 7.9468 7.9468 9.1786 9.1786 10.6955 10.6955 12.1787 12.1787 12.3686 12.3686 13.2512 13.2512 14.4081 14.4081 19.0000 19.0000 19.3078 19.3078 k = 0.2467 0.5000 0.2467 ( 2166 PWs) bands (ev): -65.3139 -65.3139 -35.1092 -35.1092 -33.9208 -33.9208 -33.8942 -33.8942 7.8927 7.8927 9.1046 9.1046 10.7476 10.7476 12.1400 12.1400 12.3840 12.3840 13.1924 13.1924 14.4015 14.4015 19.1352 19.1352 19.3340 19.3340 k = 0.2400 0.5000 0.2400 ( 2166 PWs) bands (ev): -65.3141 -65.3141 -35.1085 -35.1085 -33.9206 -33.9206 -33.8929 -33.8929 7.8394 7.8394 9.0285 9.0285 10.8002 10.8002 12.1021 12.1021 12.4042 12.4042 13.1354 13.1354 14.3954 14.3954 19.2711 19.2711 19.3621 19.3621 k = 0.2333 0.5000 0.2333 ( 2154 PWs) bands (ev): -65.3117 -65.3117 -35.1078 -35.1078 -33.9203 -33.9203 -33.8915 -33.8915 7.7888 7.7888 8.9522 8.9522 10.8562 10.8562 12.0751 12.0751 12.4291 12.4291 13.0923 13.0923 14.3990 14.3990 19.3866 19.3866 19.4213 19.4213 k = 0.2267 0.5000 0.2267 ( 2158 PWs) bands (ev): -65.3128 -65.3128 -35.1072 -35.1072 -33.9200 -33.9200 -33.8902 -33.8902 7.7366 7.7366 8.8735 8.8735 10.9084 10.9084 12.0367 12.0367 12.4556 12.4556 13.0333 13.0333 14.3934 14.3934 19.4194 19.4194 19.5543 19.5543 k = 0.2200 0.5000 0.2200 ( 2158 PWs) bands (ev): -65.3131 -65.3131 -35.1065 -35.1065 -33.9198 -33.9198 -33.8888 -33.8888 7.6864 7.6864 8.7944 8.7944 10.9618 10.9618 12.0019 12.0019 12.4865 12.4865 12.9814 12.9814 14.3883 14.3883 19.4511 19.4511 19.6946 19.6946 k = 0.2133 0.5000 0.2133 ( 2158 PWs) bands (ev): -65.3133 -65.3133 -35.1058 -35.1058 -33.9196 -33.9196 -33.8875 -33.8875 7.6373 7.6373 8.7153 8.7153 11.0154 11.0154 11.9682 11.9682 12.5199 12.5199 12.9313 12.9313 14.3835 14.3835 19.4839 19.4839 19.8364 19.8364 k = 0.2067 0.5000 0.2067 ( 2142 PWs) bands (ev): -65.3099 -65.3099 -35.1051 -35.1051 -33.9192 -33.9192 -33.8861 -33.8861 7.5896 7.5896 8.6378 8.6378 11.0763 11.0763 11.9459 11.9459 12.5677 12.5677 12.8853 12.8853 14.3994 14.3994 19.5252 19.5252 19.9802 19.9802 k = 0.2000 0.5000 0.2000 ( 2142 PWs) bands (ev): -65.3101 -65.3101 -35.1044 -35.1044 -33.9190 -33.9190 -33.8848 -33.8848 7.5428 7.5428 8.5594 8.5594 11.1299 11.1299 11.9145 11.9145 12.6044 12.6044 12.8390 12.8390 14.3951 14.3951 19.5607 19.5607 20.1244 20.1244 k = 0.1933 0.5000 0.1933 ( 2146 PWs) bands (ev): -65.3112 -65.3112 -35.1038 -35.1038 -33.9188 -33.9188 -33.8836 -33.8836 7.4971 7.4971 8.4818 8.4818 11.1812 11.1812 11.8787 11.8787 12.6415 12.6415 12.7925 12.7925 14.3903 14.3903 19.5960 19.5960 20.2684 20.2684 k = 0.1867 0.5000 0.1867 ( 2150 PWs) bands (ev): -65.3124 -65.3124 -35.1032 -35.1032 -33.9186 -33.9186 -33.8824 -33.8824 7.4528 7.4528 8.4053 8.4053 11.2341 11.2341 11.8459 11.8459 12.6705 12.6705 12.7517 12.7517 14.3847 14.3847 19.6347 19.6347 20.4141 20.4141 k = 0.1800 0.5000 0.1800 ( 2146 PWs) bands (ev): -65.3117 -65.3117 -35.1026 -35.1026 -33.9183 -33.9183 -33.8811 -33.8811 7.4101 7.4101 8.3303 8.3303 11.2904 11.2904 11.8204 11.8204 12.6879 12.6879 12.7363 12.7363 14.3818 14.3818 19.6782 19.6782 20.5626 20.5626 k = 0.1733 0.5000 0.1733 ( 2142 PWs) bands (ev): -65.3110 -65.3110 -35.1019 -35.1019 -33.9181 -33.9181 -33.8799 -33.8799 7.3686 7.3686 8.2568 8.2568 11.3429 11.3429 11.8013 11.8013 12.6610 12.6610 12.7645 12.7645 14.3818 14.3818 19.7206 19.7206 20.7107 20.7107 k = 0.1667 0.5000 0.1667 ( 2142 PWs) bands (ev): -65.3112 -65.3112 -35.1013 -35.1013 -33.9179 -33.9179 -33.8787 -33.8787 7.3284 7.3284 8.1849 8.1849 11.3943 11.3943 11.7756 11.7756 12.6249 12.6249 12.8022 12.8022 14.3790 14.3790 19.7644 19.7644 20.8593 20.8593 k = 0.1600 0.5000 0.1600 ( 2142 PWs) bands (ev): -65.3114 -65.3114 -35.1008 -35.1008 -33.9176 -33.9176 -33.8775 -33.8775 7.2896 7.2896 8.1149 8.1149 11.4450 11.4450 11.7512 11.7512 12.5889 12.5889 12.8412 12.8412 14.3766 14.3766 19.8100 19.8100 21.0085 21.0085 k = 0.1533 0.5000 0.1533 ( 2146 PWs) bands (ev): -65.3125 -65.3125 -35.1002 -35.1002 -33.9175 -33.9175 -33.8764 -33.8764 7.2518 7.2518 8.0468 8.0468 11.4945 11.4945 11.7278 11.7278 12.5469 12.5469 12.8755 12.8755 14.3745 14.3745 19.8573 19.8573 21.1553 21.1553 k = 0.1467 0.5000 0.1467 ( 2154 PWs) bands (ev): -65.3145 -65.3145 -35.0997 -35.0997 -33.9173 -33.9173 -33.8753 -33.8753 7.2154 7.2154 7.9804 7.9804 11.5394 11.5394 11.7003 11.7003 12.5043 12.5043 12.9133 12.9133 14.3677 14.3677 19.9040 19.9040 21.3015 21.3015 k = 0.1400 0.5000 0.1400 ( 2146 PWs) bands (ev): -65.3128 -65.3128 -35.0991 -35.0991 -33.9171 -33.9171 -33.8742 -33.8742 7.1812 7.1812 7.9170 7.9170 11.5860 11.5860 11.6826 11.6826 12.4763 12.4763 12.9688 12.9688 14.3696 14.3696 19.9550 19.9550 21.4536 21.4536 k = 0.1333 0.5000 0.1333 ( 2142 PWs) bands (ev): -65.3121 -65.3121 -35.0986 -35.0986 -33.9169 -33.9169 -33.8731 -33.8731 7.1482 7.1482 7.8560 7.8560 11.6290 11.6290 11.6746 11.6746 12.4462 12.4462 13.0052 13.0052 14.3721 14.3721 20.0079 20.0079 21.6045 21.6045 k = 0.1267 0.5000 0.1267 ( 2146 PWs) bands (ev): -65.3132 -65.3132 -35.0981 -35.0981 -33.9167 -33.9167 -33.8722 -33.8722 7.1168 7.1168 7.7974 7.7974 11.6413 11.6413 11.6880 11.6880 12.4169 12.4169 13.0284 13.0284 14.3684 14.3684 20.0622 20.0622 21.7552 21.7552 k = 0.1200 0.5000 0.1200 ( 2146 PWs) bands (ev): -65.3134 -65.3134 -35.0977 -35.0977 -33.9165 -33.9165 -33.8712 -33.8712 7.0869 7.0869 7.7414 7.7414 11.6272 11.6272 11.7278 11.7278 12.3894 12.3894 13.0622 13.0622 14.3676 14.3676 20.1181 20.1181 21.9057 21.9057 k = 0.1133 0.5000 0.1133 ( 2148 PWs) bands (ev): -65.3140 -65.3140 -35.0972 -35.0972 -33.9164 -33.9164 -33.8703 -33.8703 7.0583 7.0583 7.6880 7.6880 11.6100 11.6100 11.7711 11.7711 12.3566 12.3566 13.0945 13.0945 14.3672 14.3672 20.1763 20.1763 22.0528 22.0528 k = 0.1067 0.5000 0.1067 ( 2148 PWs) bands (ev): -65.3142 -65.3142 -35.0968 -35.0968 -33.9162 -33.9162 -33.8694 -33.8694 7.0315 7.0315 7.6374 7.6374 11.5944 11.5944 11.8111 11.8111 12.3321 12.3321 13.1253 13.1253 14.3669 14.3669 20.2348 20.2348 22.2019 22.2019 k = 0.1000 0.5000 0.1000 ( 2148 PWs) bands (ev): -65.3144 -65.3144 -35.0964 -35.0964 -33.9160 -33.9160 -33.8686 -33.8686 7.0062 7.0062 7.5896 7.5896 11.5797 11.5797 11.8494 11.8494 12.3091 12.3091 13.1546 13.1546 14.3668 14.3668 20.2945 20.2945 22.3478 22.3478 k = 0.0933 0.5000 0.0933 ( 2148 PWs) bands (ev): -65.3145 -65.3145 -35.0960 -35.0960 -33.9159 -33.9159 -33.8678 -33.8678 6.9825 6.9825 7.5447 7.5447 11.5660 11.5660 11.8860 11.8860 12.2878 12.2878 13.1823 13.1823 14.3669 14.3669 20.3550 20.3550 22.4673 22.4673 k = 0.0867 0.5000 0.0867 ( 2150 PWs) bands (ev): -65.3151 -65.3151 -35.0956 -35.0956 -33.9158 -33.9158 -33.8671 -33.8671 6.9604 6.9604 7.5026 7.5026 11.5532 11.5532 11.9205 11.9205 12.2651 12.2651 13.2042 13.2042 14.3669 14.3669 20.4162 20.4162 22.5629 22.5629 k = 0.0800 0.5000 0.0800 ( 2146 PWs) bands (ev): -65.3143 -65.3143 -35.0953 -35.0953 -33.9156 -33.9156 -33.8664 -33.8664 6.9399 6.9399 7.4636 7.4636 11.5493 11.5493 11.9530 11.9530 12.2469 12.2469 13.2290 13.2290 14.3720 14.3720 20.4776 20.4776 22.6557 22.6557 k = 0.0733 0.5000 0.0733 ( 2146 PWs) bands (ev): -65.3144 -65.3144 -35.0950 -35.0950 -33.9155 -33.9155 -33.8658 -33.8658 6.9210 6.9210 7.4275 7.4275 11.5384 11.5384 11.9831 11.9831 12.2303 12.2303 13.2513 13.2513 14.3725 14.3725 20.5387 20.5387 22.7460 22.7460 k = 0.0667 0.5000 0.0667 ( 2146 PWs) bands (ev): -65.3144 -65.3144 -35.0947 -35.0947 -33.9154 -33.9154 -33.8652 -33.8652 6.9038 6.9038 7.3945 7.3945 11.5286 11.5286 12.0109 12.0109 12.2153 12.2153 13.2718 13.2718 14.3731 14.3731 20.5991 20.5991 22.8333 22.8333 k = 0.0600 0.5000 0.0600 ( 2134 PWs) bands (ev): -65.3118 -65.3118 -35.0944 -35.0944 -33.9152 -33.9152 -33.8646 -33.8646 6.8882 6.8882 7.3646 7.3646 11.5331 11.5331 12.0385 12.0385 12.2134 12.2134 13.2969 13.2969 14.3790 14.3790 20.6585 20.6585 22.9174 22.9174 k = 0.0533 0.5000 0.0533 ( 2134 PWs) bands (ev): -65.3119 -65.3119 -35.0941 -35.0941 -33.9151 -33.9151 -33.8641 -33.8641 6.8742 6.8742 7.3377 7.3377 11.5250 11.5250 12.0611 12.0611 12.2015 12.2015 13.3136 13.3136 14.3797 14.3797 20.7153 20.7153 22.9958 22.9958 k = 0.0467 0.5000 0.0467 ( 2130 PWs) bands (ev): -65.3111 -65.3111 -35.0939 -35.0939 -33.9151 -33.9151 -33.8636 -33.8636 6.8618 6.8618 7.3139 7.3139 11.5201 11.5201 12.0810 12.0810 12.1915 12.1915 13.3373 13.3373 14.3847 14.3847 20.7692 20.7692 23.0684 23.0684 k = 0.0400 0.5000 0.0400 ( 2122 PWs) bands (ev): -65.3093 -65.3093 -35.0937 -35.0937 -33.9149 -33.9149 -33.8632 -33.8632 6.8510 6.8510 7.2935 7.2935 11.5153 11.5153 12.1110 12.1110 12.1849 12.1849 13.3595 13.3595 14.3870 14.3870 20.8203 20.8203 23.1334 23.1334 k = 0.0333 0.5000 0.0333 ( 2126 PWs) bands (ev): -65.3103 -65.3103 -35.0936 -35.0936 -33.9149 -33.9149 -33.8629 -33.8629 6.8419 6.8419 7.2759 7.2759 11.5099 11.5099 12.1236 12.1236 12.1785 12.1785 13.3592 13.3592 14.3840 14.3840 20.8648 20.8648 23.1900 23.1900 k = 0.0267 0.5000 0.0267 ( 2126 PWs) bands (ev): -65.3103 -65.3103 -35.0934 -35.0934 -33.9148 -33.9148 -33.8627 -33.8627 6.8344 6.8344 7.2616 7.2616 11.5057 11.5057 12.1321 12.1321 12.1762 12.1762 13.3680 13.3680 14.3846 14.3846 20.9033 20.9033 23.2373 23.2373 k = 0.0200 0.5000 0.0200 ( 2120 PWs) bands (ev): -65.3090 -65.3090 -35.0933 -35.0933 -33.9148 -33.9148 -33.8624 -33.8624 6.8286 6.8286 7.2510 7.2510 11.5057 11.5057 12.1392 12.1392 12.1794 12.1794 13.3801 13.3801 14.3924 14.3924 20.9347 20.9347 23.2747 23.2747 k = 0.0133 0.5000 0.0133 ( 2120 PWs) bands (ev): -65.3090 -65.3090 -35.0932 -35.0932 -33.9147 -33.9147 -33.8623 -33.8623 6.8245 6.8245 7.2430 7.2430 11.5035 11.5035 12.1408 12.1408 12.1815 12.1815 13.3850 13.3850 14.3928 14.3928 20.9579 20.9579 23.3016 23.3016 k = 0.0067 0.5000 0.0067 ( 2104 PWs) bands (ev): -65.3054 -65.3054 -35.0931 -35.0931 -33.9146 -33.9146 -33.8621 -33.8621 6.8220 6.8220 7.2385 7.2385 11.5149 11.5149 12.1514 12.1514 12.1915 12.1915 13.4025 13.4025 14.4011 14.4011 20.9721 20.9721 23.3178 23.3178 k = 0.0000 0.5000-0.0000 ( 2104 PWs) bands (ev): -65.3054 -65.3054 -35.0931 -35.0931 -33.9146 -33.9146 -33.8620 -33.8620 6.8211 6.8211 7.2369 7.2369 11.5144 11.5144 12.1517 12.1517 12.1918 12.1918 13.4034 13.4034 14.4012 14.4012 20.9769 20.9769 23.3232 23.3232 k = 0.5000 0.5000-0.0000 ( 2160 PWs) bands (ev): -65.3130 -65.3130 -35.1103 -35.1103 -33.9341 -33.9341 -33.8810 -33.8810 8.1008 8.1008 10.7500 10.7500 10.8173 10.8173 10.8541 10.8541 12.4284 12.4284 12.4665 12.4665 13.9444 13.9444 16.5041 16.5041 17.1010 17.1010 k = 0.5000 0.5000 0.0094 ( 2160 PWs) bands (ev): -65.3129 -65.3129 -35.1103 -35.1103 -33.9341 -33.9341 -33.8811 -33.8811 8.1018 8.1018 10.7518 10.7518 10.8151 10.8151 10.8517 10.8517 12.4317 12.4317 12.4699 12.4699 13.9445 13.9445 16.5041 16.5041 17.1007 17.1007 k = 0.5000 0.5000 0.0189 ( 2160 PWs) bands (ev): -65.3129 -65.3129 -35.1104 -35.1104 -33.9341 -33.9341 -33.8812 -33.8812 8.1048 8.1048 10.7574 10.7574 10.8083 10.8083 10.8447 10.8447 12.4417 12.4417 12.4800 12.4800 13.9446 13.9446 16.5041 16.5041 17.0999 17.0999 k = 0.5000 0.5000 0.0283 ( 2164 PWs) bands (ev): -65.3137 -65.3137 -35.1105 -35.1105 -33.9341 -33.9341 -33.8815 -33.8815 8.1099 8.1099 10.7609 10.7609 10.7973 10.7973 10.8333 10.8333 12.4578 12.4578 12.4965 12.4965 13.9449 13.9449 16.4928 16.4928 17.0984 17.0984 k = 0.5000 0.5000 0.0377 ( 2164 PWs) bands (ev): -65.3137 -65.3137 -35.1106 -35.1106 -33.9340 -33.9340 -33.8817 -33.8817 8.1169 8.1169 10.7726 10.7726 10.7833 10.7833 10.8176 10.8176 12.4803 12.4803 12.5194 12.5194 13.9453 13.9453 16.4924 16.4924 17.0963 17.0963 k = 0.5000 0.5000 0.0472 ( 2156 PWs) bands (ev): -65.3118 -65.3118 -35.1106 -35.1106 -33.9340 -33.9340 -33.8820 -33.8820 8.1260 8.1260 10.7626 10.7626 10.7960 10.7960 10.7985 10.7985 12.5154 12.5154 12.5549 12.5549 13.9464 13.9464 16.5035 16.5035 17.0942 17.0942 k = 0.5000 0.5000 0.0566 ( 2164 PWs) bands (ev): -65.3136 -65.3136 -35.1108 -35.1108 -33.9339 -33.9339 -33.8825 -33.8825 8.1356 8.1356 10.7402 10.7402 10.7753 10.7753 10.8154 10.8154 12.5417 12.5417 12.5818 12.5818 13.9385 13.9385 16.5029 16.5029 17.0851 17.0851 k = 0.5000 0.5000 0.0660 ( 2164 PWs) bands (ev): -65.3135 -65.3135 -35.1110 -35.1110 -33.9339 -33.9339 -33.8830 -33.8830 8.1485 8.1485 10.7150 10.7150 10.7494 10.7494 10.8392 10.8392 12.5803 12.5803 12.6210 12.6210 13.9391 13.9391 16.5023 16.5023 17.0810 17.0810 k = 0.5000 0.5000 0.0755 ( 2164 PWs) bands (ev): -65.3134 -65.3134 -35.1112 -35.1112 -33.9338 -33.9338 -33.8836 -33.8836 8.1634 8.1634 10.6872 10.6872 10.7208 10.7208 10.8668 10.8668 12.6235 12.6235 12.6649 12.6649 13.9398 13.9398 16.5015 16.5015 17.0763 17.0763 k = 0.5000 0.5000 0.0849 ( 2164 PWs) bands (ev): -65.3133 -65.3133 -35.1114 -35.1114 -33.9337 -33.9337 -33.8843 -33.8843 8.1801 8.1801 10.6572 10.6572 10.6901 10.6901 10.8980 10.8980 12.6710 12.6710 12.7131 12.7131 13.9405 13.9405 16.5007 16.5007 17.0708 17.0708 k = 0.5000 0.5000 0.0943 ( 2164 PWs) bands (ev): -65.3132 -65.3132 -35.1116 -35.1116 -33.9335 -33.9335 -33.8850 -33.8850 8.1988 8.1988 10.6254 10.6254 10.6575 10.6575 10.9328 10.9328 12.7223 12.7223 12.7651 12.7651 13.9414 13.9414 16.4997 16.4997 17.0646 17.0646 k = 0.5000 0.5000 0.1038 ( 2156 PWs) bands (ev): -65.3112 -65.3112 -35.1118 -35.1118 -33.9333 -33.9333 -33.8858 -33.8858 8.2222 8.2222 10.5931 10.5931 10.6245 10.6245 10.9731 10.9731 12.7813 12.7813 12.8248 12.8248 13.9481 13.9481 16.4990 16.4990 17.0683 17.0683 k = 0.5000 0.5000 0.1132 ( 2160 PWs) bands (ev): -65.3120 -65.3120 -35.1121 -35.1121 -33.9332 -33.9332 -33.8866 -33.8866 8.2420 8.2420 10.5586 10.5586 10.5892 10.5892 11.0131 11.0131 12.8383 12.8383 12.8826 12.8826 13.9491 13.9491 16.4969 16.4969 17.0507 17.0507 k = 0.5000 0.5000 0.1226 ( 2160 PWs) bands (ev): -65.3118 -65.3118 -35.1124 -35.1124 -33.9331 -33.9331 -33.8876 -33.8876 8.2661 8.2661 10.5234 10.5234 10.5533 10.5533 11.0584 11.0584 12.8993 12.8993 12.9444 12.9444 13.9502 13.9502 16.4953 16.4953 17.0417 17.0417 k = 0.5000 0.5000 0.1321 ( 2152 PWs) bands (ev): -65.3098 -65.3098 -35.1127 -35.1127 -33.9329 -33.9329 -33.8885 -33.8885 8.2927 8.2927 10.4898 10.4898 10.5189 10.5189 11.1085 11.1085 12.9703 12.9703 13.0161 13.0161 13.9527 13.9527 16.4982 16.4982 17.0344 17.0344 k = 0.5000 0.5000 0.1415 ( 2152 PWs) bands (ev): -65.3096 -65.3096 -35.1131 -35.1131 -33.9327 -33.9327 -33.8895 -33.8895 8.3203 8.3203 10.4537 10.4537 10.4820 10.4820 11.1607 11.1607 13.0361 13.0361 13.0827 13.0827 13.9539 13.9539 16.4960 16.4960 17.0233 17.0233 k = 0.5000 0.5000 0.1509 ( 2156 PWs) bands (ev): -65.3103 -65.3103 -35.1134 -35.1134 -33.9326 -33.9326 -33.8906 -33.8906 8.3483 8.3483 10.4163 10.4163 10.4438 10.4438 11.2162 11.2162 13.1009 13.1009 13.1482 13.1482 13.9552 13.9552 16.4933 16.4933 17.0072 17.0072 k = 0.5000 0.5000 0.1604 ( 2164 PWs) bands (ev): -65.3119 -65.3119 -35.1138 -35.1138 -33.9324 -33.9324 -33.8919 -33.8919 8.3791 8.3791 10.3794 10.3794 10.4062 10.4062 11.2629 11.2629 13.1702 13.1702 13.2183 13.2183 13.9566 13.9566 16.4702 16.4702 16.9939 16.9939 k = 0.5000 0.5000 0.1698 ( 2164 PWs) bands (ev): -65.3117 -65.3117 -35.1142 -35.1142 -33.9322 -33.9322 -33.8930 -33.8930 8.4115 8.4115 10.3430 10.3430 10.3690 10.3690 11.3244 11.3244 13.2426 13.2426 13.2914 13.2914 13.9581 13.9581 16.4667 16.4667 16.9793 16.9793 k = 0.5000 0.5000 0.1792 ( 2164 PWs) bands (ev): -65.3115 -65.3115 -35.1146 -35.1146 -33.9320 -33.9320 -33.8942 -33.8942 8.4453 8.4453 10.3068 10.3068 10.3320 10.3320 11.3891 11.3891 13.3168 13.3168 13.3664 13.3664 13.9597 13.9597 16.4627 16.4627 16.9634 16.9634 k = 0.5000 0.5000 0.1887 ( 2152 PWs) bands (ev): -65.3086 -65.3086 -35.1150 -35.1150 -33.9317 -33.9317 -33.8953 -33.8953 8.4808 8.4808 10.2738 10.2738 10.2983 10.2983 11.4662 11.4662 13.3987 13.3987 13.4489 13.4489 13.9623 13.9623 16.4764 16.4764 16.9466 16.9466 k = 0.5000 0.5000 0.1981 ( 2152 PWs) bands (ev): -65.3084 -65.3084 -35.1154 -35.1154 -33.9315 -33.9315 -33.8966 -33.8966 8.5174 8.5174 10.2384 10.2384 10.2621 10.2621 11.5368 11.5368 13.4761 13.4761 13.5269 13.5269 13.9640 13.9640 16.4709 16.4709 16.9278 16.9278 k = 0.5000 0.5000 0.2075 ( 2160 PWs) bands (ev): -65.3100 -65.3100 -35.1159 -35.1159 -33.9314 -33.9314 -33.8980 -33.8980 8.5553 8.5553 10.2004 10.2004 10.2234 10.2234 11.6093 11.6093 13.5489 13.5489 13.6003 13.6003 13.9602 13.9602 16.4621 16.4621 16.9073 16.9073 k = 0.5000 0.5000 0.2170 ( 2160 PWs) bands (ev): -65.3098 -65.3098 -35.1164 -35.1164 -33.9311 -33.9311 -33.8993 -33.8993 8.5944 8.5944 10.1659 10.1659 10.1883 10.1883 11.6855 11.6855 13.6293 13.6293 13.6811 13.6811 13.9621 13.9621 16.4552 16.4552 16.8852 16.8852 k = 0.5000 0.5000 0.2264 ( 2160 PWs) bands (ev): -65.3096 -65.3096 -35.1168 -35.1168 -33.9309 -33.9309 -33.9006 -33.9006 8.6346 8.6346 10.1321 10.1321 10.1538 10.1538 11.7642 11.7642 13.7111 13.7111 13.7631 13.7631 13.9645 13.9645 16.4476 16.4476 16.8614 16.8614 k = 0.5000 0.5000 0.2358 ( 2160 PWs) bands (ev): -65.3094 -65.3094 -35.1173 -35.1173 -33.9307 -33.9307 -33.9019 -33.9019 8.6758 8.6758 10.0991 10.0991 10.1201 10.1201 11.8455 11.8455 13.7942 13.7942 13.8453 13.8453 13.9678 13.9678 16.4392 16.4392 16.8358 16.8358 k = 0.5000 0.5000 0.2453 ( 2168 PWs) bands (ev): -65.3110 -65.3110 -35.1178 -35.1178 -33.9305 -33.9305 -33.9033 -33.9033 8.7178 8.7178 10.0654 10.0654 10.0858 10.0858 11.9266 11.9266 13.8761 13.8761 13.9152 13.9152 13.9616 13.9616 16.4291 16.4291 16.8081 16.8081 k = 0.5000 0.5000 0.2547 ( 2168 PWs) bands (ev): -65.3107 -65.3107 -35.1182 -35.1182 -33.9303 -33.9303 -33.9047 -33.9047 8.7614 8.7614 10.0347 10.0347 10.0545 10.0545 12.0078 12.0078 13.9432 13.9432 13.9620 13.9620 14.0253 14.0253 16.4127 16.4127 16.7803 16.7803 k = 0.5000 0.5000 0.2642 ( 2152 PWs) bands (ev): -65.3068 -65.3068 -35.1186 -35.1186 -33.9299 -33.9299 -33.9060 -33.9060 8.8131 8.8131 10.0049 10.0049 10.0241 10.0241 12.1055 12.1055 13.9675 13.9675 14.0490 14.0490 14.1101 14.1101 16.4054 16.4054 16.7655 16.7655 k = 0.5000 0.5000 0.2736 ( 2152 PWs) bands (ev): -65.3067 -65.3067 -35.1191 -35.1191 -33.9297 -33.9297 -33.9073 -33.9073 8.8573 8.8573 9.9752 9.9752 9.9938 9.9938 12.1953 12.1953 13.9703 13.9703 14.1361 14.1361 14.1967 14.1967 16.3928 16.3928 16.7311 16.7311 k = 0.5000 0.5000 0.2830 ( 2156 PWs) bands (ev): -65.3074 -65.3074 -35.1196 -35.1196 -33.9295 -33.9295 -33.9087 -33.9087 8.9018 8.9018 9.9460 9.9460 9.9641 9.9641 12.2798 12.2798 13.9723 13.9723 14.2233 14.2233 14.2842 14.2842 16.3715 16.3715 16.6948 16.6948 k = 0.5000 0.5000 0.2925 ( 2152 PWs) bands (ev): -65.3063 -65.3063 -35.1200 -35.1200 -33.9292 -33.9292 -33.9099 -33.9099 8.9471 8.9471 9.9202 9.9202 9.9377 9.9377 12.3738 12.3738 13.9742 13.9742 14.3138 14.3138 14.3752 14.3752 16.3588 16.3588 16.6575 16.6575 k = 0.5000 0.5000 0.3019 ( 2152 PWs) bands (ev): -65.3061 -65.3061 -35.1205 -35.1205 -33.9290 -33.9290 -33.9112 -33.9112 8.9920 8.9920 9.8935 9.8935 9.9105 9.9105 12.4679 12.4679 13.9759 13.9759 14.4028 14.4028 14.4649 14.4649 16.3425 16.3425 16.6174 16.6174 k = 0.5000 0.5000 0.3113 ( 2152 PWs) bands (ev): -65.3059 -65.3059 -35.1209 -35.1209 -33.9288 -33.9288 -33.9124 -33.9124 9.0369 9.0369 9.8680 9.8680 9.8845 9.8845 12.5631 12.5631 13.9775 13.9775 14.4921 14.4921 14.5550 14.5550 16.3248 16.3248 16.5758 16.5758 k = 0.5000 0.5000 0.3208 ( 2160 PWs) bands (ev): -65.3075 -65.3075 -35.1214 -35.1214 -33.9287 -33.9287 -33.9137 -33.9137 9.0770 9.0770 9.8408 9.8408 9.8569 9.8569 12.6582 12.6582 13.9784 13.9784 14.5790 14.5790 14.6427 14.6427 16.3055 16.3055 16.5271 16.5271 k = 0.5000 0.5000 0.3302 ( 2160 PWs) bands (ev): -65.3073 -65.3073 -35.1218 -35.1218 -33.9285 -33.9285 -33.9149 -33.9149 9.1210 9.1210 9.8175 9.8175 9.8331 9.8331 12.7548 12.7548 13.9800 13.9800 14.6687 14.6687 14.7333 14.7333 16.2849 16.2849 16.4832 16.4832 k = 0.5000 0.5000 0.3396 ( 2160 PWs) bands (ev): -65.3071 -65.3071 -35.1222 -35.1222 -33.9283 -33.9283 -33.9160 -33.9160 9.1645 9.1645 9.7953 9.7953 9.8104 9.8104 12.8517 12.8517 13.9815 13.9815 14.7583 14.7583 14.8239 14.8239 16.2628 16.2628 16.4385 16.4385 k = 0.5000 0.5000 0.3491 ( 2160 PWs) bands (ev): -65.3069 -65.3069 -35.1226 -35.1226 -33.9281 -33.9281 -33.9171 -33.9171 9.2071 9.2071 9.7743 9.7743 9.7890 9.7890 12.9485 12.9485 13.9830 13.9830 14.8475 14.8475 14.9141 14.9141 16.2392 16.2392 16.3931 16.3931 k = 0.5000 0.5000 0.3585 ( 2176 PWs) bands (ev): -65.3103 -65.3103 -35.1231 -35.1231 -33.9280 -33.9280 -33.9183 -33.9183 9.2457 9.2457 9.7468 9.7468 9.7613 9.7613 13.0449 13.0449 13.9708 13.9708 14.9302 14.9302 14.9978 14.9978 16.2139 16.2139 16.3452 16.3452 k = 0.5000 0.5000 0.3679 ( 2168 PWs) bands (ev): -65.3083 -65.3083 -35.1234 -35.1234 -33.9278 -33.9278 -33.9192 -33.9192 9.2870 9.2870 9.7295 9.7295 9.7436 9.7436 13.1444 13.1444 13.9911 13.9911 15.0188 15.0188 15.0876 15.0876 16.1882 16.1882 16.3008 16.3008 k = 0.5000 0.5000 0.3774 ( 2168 PWs) bands (ev): -65.3081 -65.3081 -35.1237 -35.1237 -33.9276 -33.9276 -33.9202 -33.9202 9.3258 9.3258 9.7120 9.7120 9.7259 9.7259 13.2387 13.2387 13.9921 13.9921 15.1051 15.1051 15.1752 15.1752 16.1604 16.1604 16.2561 16.2561 k = 0.5000 0.5000 0.3868 ( 2184 PWs) bands (ev): -65.3116 -65.3116 -35.1241 -35.1241 -33.9275 -33.9275 -33.9212 -33.9212 9.3603 9.3603 9.6867 9.6867 9.7004 9.7004 13.3286 13.3286 13.9875 13.9875 15.1845 15.1845 15.2559 15.2559 16.1297 16.1297 16.2111 16.2111 k = 0.5000 0.5000 0.3962 ( 2184 PWs) bands (ev): -65.3114 -65.3114 -35.1244 -35.1244 -33.9274 -33.9274 -33.9220 -33.9220 9.3955 9.3955 9.6716 9.6716 9.6850 9.6850 13.4186 13.4186 13.9884 13.9884 15.2671 15.2671 15.3400 15.3400 16.1001 16.1001 16.1690 16.1690 k = 0.5000 0.5000 0.4057 ( 2192 PWs) bands (ev): -65.3131 -65.3131 -35.1247 -35.1247 -33.9273 -33.9273 -33.9229 -33.9229 9.4285 9.4285 9.6537 9.6537 9.6669 9.6669 13.4982 13.4982 13.9865 13.9865 15.3449 15.3449 15.4195 15.4195 16.0674 16.0674 16.1288 16.1288 k = 0.5000 0.5000 0.4151 ( 2200 PWs) bands (ev): -65.3149 -65.3149 -35.1250 -35.1250 -33.9272 -33.9272 -33.9237 -33.9237 9.4591 9.4591 9.6394 9.6394 9.6524 9.6524 13.5601 13.5601 13.9870 13.9870 15.4202 15.4202 15.4969 15.4969 16.0321 16.0321 16.0909 16.0909 k = 0.5000 0.5000 0.4245 ( 2200 PWs) bands (ev): -65.3148 -65.3148 -35.1253 -35.1253 -33.9270 -33.9270 -33.9243 -33.9243 9.4872 9.4872 9.6280 9.6280 9.6410 9.6410 13.6371 13.6371 13.9877 13.9877 15.4918 15.4918 15.5708 15.5708 16.0034 16.0034 16.0557 16.0557 k = 0.5000 0.5000 0.4340 ( 2192 PWs) bands (ev): -65.3129 -65.3129 -35.1255 -35.1255 -33.9269 -33.9269 -33.9248 -33.9248 9.5133 9.5133 9.6221 9.6221 9.6349 9.6349 13.7087 13.7087 13.9986 13.9986 15.5587 15.5587 15.6405 15.6405 15.9760 15.9760 16.0238 16.0238 k = 0.5000 0.5000 0.4434 ( 2192 PWs) bands (ev): -65.3129 -65.3129 -35.1256 -35.1256 -33.9268 -33.9268 -33.9253 -33.9253 9.5356 9.5356 9.6134 9.6134 9.6262 9.6262 13.7737 13.7737 13.9990 13.9990 15.6178 15.6178 15.7030 15.7030 15.9508 15.9508 15.9952 15.9952 k = 0.5000 0.5000 0.4528 ( 2184 PWs) bands (ev): -65.3110 -65.3110 -35.1258 -35.1258 -33.9267 -33.9267 -33.9257 -33.9257 9.5551 9.5551 9.6103 9.6103 9.6232 9.6232 13.8386 13.8386 14.0015 14.0015 15.6693 15.6693 15.7590 15.7590 15.9299 15.9299 15.9704 15.9704 k = 0.5000 0.5000 0.4623 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1259 -35.1259 -33.9266 -33.9266 -33.9259 -33.9259 9.5708 9.5708 9.6064 9.6064 9.6195 9.6195 13.9091 13.9091 14.0019 14.0019 15.7106 15.7106 15.8063 15.8063 15.9140 15.9140 15.9496 15.9496 k = 0.5000 0.5000 0.4717 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1260 -35.1260 -33.9266 -33.9266 -33.9262 -33.9262 9.5827 9.5827 9.6016 9.6016 9.6155 9.6155 13.9490 13.9490 14.0021 14.0021 15.7405 15.7405 15.8442 15.8442 15.9019 15.9019 15.9332 15.9332 k = 0.5000 0.5000 0.4811 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1260 -35.1260 -33.9266 -33.9266 -33.9264 -33.9264 9.5905 9.5905 9.5982 9.5982 9.6133 9.6133 13.9783 13.9783 14.0022 14.0022 15.7590 15.7590 15.8721 15.8721 15.8961 15.8961 15.9214 15.9214 k = 0.5000 0.5000 0.4906 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1261 -35.1261 -33.9265 -33.9265 -33.9265 -33.9265 9.5944 9.5944 9.5962 9.5962 9.6127 9.6127 13.9963 13.9963 14.0023 14.0023 15.7679 15.7679 15.8891 15.8891 15.8948 15.8948 15.9142 15.9142 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -65.3092 -65.3092 -35.1261 -35.1261 -33.9265 -33.9265 -33.9265 -33.9265 9.5955 9.5955 9.5955 9.5955 9.6128 9.6128 14.0023 14.0023 14.0023 14.0023 15.7704 15.7704 15.8948 15.8948 15.8948 15.8948 15.9118 15.9118 Writing output data file MnAl.save init_run : 0.09s CPU 0.21s WALL ( 1 calls) electrons : 36.86s CPU 37.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 36.86s CPU 37.87s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 407 calls) cegterg : 32.95s CPU 33.59s WALL ( 441 calls) Called by sum_band: Called by *egterg: h_psi : 16.88s CPU 17.24s WALL ( 5681 calls) s_psi : 0.56s CPU 0.56s WALL ( 5681 calls) g_psi : 0.04s CPU 0.05s WALL ( 4833 calls) cdiaghg : 15.19s CPU 15.52s WALL ( 5240 calls) cegterg:over : 1.16s CPU 1.12s WALL ( 4833 calls) cegterg:upda : 0.72s CPU 0.85s WALL ( 4833 calls) cegterg:last : 0.41s CPU 0.44s WALL ( 1016 calls) cdiaghg:chol : 0.82s CPU 0.79s WALL ( 5240 calls) cdiaghg:inve : 0.26s CPU 0.32s WALL ( 5240 calls) cdiaghg:para : 0.95s CPU 0.97s WALL ( 10480 calls) Called by h_psi: h_psi:vloc : 15.02s CPU 15.28s WALL ( 5681 calls) h_psi:vnl : 1.84s CPU 1.93s WALL ( 5681 calls) add_vuspsi : 1.07s CPU 1.12s WALL ( 5681 calls) General routines calbec : 0.76s CPU 0.80s WALL ( 5681 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 14.33s CPU 14.52s WALL ( 351196 calls) davcio : 0.10s CPU 0.10s WALL ( 814 calls) Parallel routines fft_scatter : 7.19s CPU 7.28s WALL ( 351211 calls) PWSCF : 45.04s CPU 55.50s WALL This run was terminated on: 19:28:44 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=