Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:57: 1 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: ./HfRu.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 26 8 608 608 102 Max 27 27 9 613 613 106 Sum 949 949 293 21975 21975 3743 bravais-lattice index = 14 lattice parameter (alat) = 6.0944 a.u. unit-cell volume = 226.3527 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.094366 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ru read from file: /users/gautes/Pseudo/Ru.rel-pbe-oncvpsp.UPF MD5 check sum: 58833c0d2965a9b0fe5de673113ce18e Pseudo is Norm-conserving, Zval = 16.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1584 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Ru 16.00 101.07000 Ru( 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= 376 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0000000 0.0102041 -0.0000000), wk = 0.0026596 k( 3) = ( 0.0000000 0.0204082 -0.0000000), wk = 0.0026596 k( 4) = ( 0.0000000 0.0306122 -0.0000000), wk = 0.0026596 k( 5) = ( 0.0000000 0.0408163 -0.0000000), wk = 0.0026596 k( 6) = ( 0.0000000 0.0510204 -0.0000000), wk = 0.0026596 k( 7) = ( 0.0000000 0.0612245 -0.0000000), wk = 0.0026596 k( 8) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026596 k( 9) = ( 0.0000000 0.0816327 -0.0000000), wk = 0.0026596 k( 10) = ( 0.0000000 0.0918367 -0.0000000), wk = 0.0026596 k( 11) = ( 0.0000000 0.1020408 -0.0000000), wk = 0.0026596 k( 12) = ( 0.0000000 0.1122449 -0.0000000), wk = 0.0026596 k( 13) = ( 0.0000000 0.1224490 -0.0000000), wk = 0.0026596 k( 14) = ( 0.0000000 0.1326531 -0.0000000), wk = 0.0026596 k( 15) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026596 k( 16) = ( 0.0000000 0.1530612 -0.0000000), wk = 0.0026596 k( 17) = ( 0.0000000 0.1632653 -0.0000000), wk = 0.0026596 k( 18) = ( 0.0000000 0.1734694 -0.0000000), wk = 0.0026596 k( 19) = ( 0.0000000 0.1836735 -0.0000000), wk = 0.0026596 k( 20) = ( 0.0000000 0.1938776 -0.0000000), wk = 0.0026596 k( 21) = ( 0.0000000 0.2040816 -0.0000000), wk = 0.0026596 k( 22) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026596 k( 23) = ( 0.0000000 0.2244898 -0.0000000), wk = 0.0026596 k( 24) = ( 0.0000000 0.2346939 -0.0000000), wk = 0.0026596 k( 25) = ( 0.0000000 0.2448980 -0.0000000), wk = 0.0026596 k( 26) = ( 0.0000000 0.2551020 -0.0000000), wk = 0.0026596 k( 27) = ( 0.0000000 0.2653061 -0.0000000), wk = 0.0026596 k( 28) = ( 0.0000000 0.2755102 -0.0000000), wk = 0.0026596 k( 29) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0026596 k( 30) = ( 0.0000000 0.2959184 -0.0000000), wk = 0.0026596 k( 31) = ( 0.0000000 0.3061224 -0.0000000), wk = 0.0026596 k( 32) = ( 0.0000000 0.3163265 -0.0000000), wk = 0.0026596 k( 33) = ( 0.0000000 0.3265306 -0.0000000), wk = 0.0026596 k( 34) = ( 0.0000000 0.3367347 -0.0000000), wk = 0.0026596 k( 35) = ( 0.0000000 0.3469388 -0.0000000), wk = 0.0026596 k( 36) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0026596 k( 37) = ( 0.0000000 0.3673469 -0.0000000), wk = 0.0026596 k( 38) = ( 0.0000000 0.3775510 -0.0000000), wk = 0.0026596 k( 39) = ( 0.0000000 0.3877551 -0.0000000), wk = 0.0026596 k( 40) = ( 0.0000000 0.3979592 -0.0000000), wk = 0.0026596 k( 41) = ( 0.0000000 0.4081633 -0.0000000), wk = 0.0026596 k( 42) = ( 0.0000000 0.4183674 -0.0000000), wk = 0.0026596 k( 43) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0026596 k( 44) = ( 0.0000000 0.4387755 -0.0000000), wk = 0.0026596 k( 45) = ( 0.0000000 0.4489796 -0.0000000), wk = 0.0026596 k( 46) = ( 0.0000000 0.4591837 -0.0000000), wk = 0.0026596 k( 47) = ( 0.0000000 0.4693878 -0.0000000), wk = 0.0026596 k( 48) = ( 0.0000000 0.4795918 -0.0000000), wk = 0.0026596 k( 49) = ( 0.0000000 0.4897959 -0.0000000), wk = 0.0026596 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 52) = ( 0.0102041 0.5000000 -0.0000000), wk = 0.0026596 k( 53) = ( 0.0204082 0.5000000 -0.0000000), wk = 0.0026596 k( 54) = ( 0.0306122 0.5000000 -0.0000000), wk = 0.0026596 k( 55) = ( 0.0408163 0.5000000 -0.0000000), wk = 0.0026596 k( 56) = ( 0.0510204 0.5000000 -0.0000000), wk = 0.0026596 k( 57) = ( 0.0612245 0.5000000 -0.0000000), wk = 0.0026596 k( 58) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026596 k( 59) = ( 0.0816327 0.5000000 -0.0000000), wk = 0.0026596 k( 60) = ( 0.0918367 0.5000000 -0.0000000), wk = 0.0026596 k( 61) = ( 0.1020408 0.5000000 -0.0000000), wk = 0.0026596 k( 62) = ( 0.1122449 0.5000000 -0.0000000), wk = 0.0026596 k( 63) = ( 0.1224490 0.5000000 -0.0000000), wk = 0.0026596 k( 64) = ( 0.1326531 0.5000000 -0.0000000), wk = 0.0026596 k( 65) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026596 k( 66) = ( 0.1530612 0.5000000 -0.0000000), wk = 0.0026596 k( 67) = ( 0.1632653 0.5000000 -0.0000000), wk = 0.0026596 k( 68) = ( 0.1734694 0.5000000 -0.0000000), wk = 0.0026596 k( 69) = ( 0.1836735 0.5000000 -0.0000000), wk = 0.0026596 k( 70) = ( 0.1938776 0.5000000 -0.0000000), wk = 0.0026596 k( 71) = ( 0.2040816 0.5000000 -0.0000000), wk = 0.0026596 k( 72) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026596 k( 73) = ( 0.2244898 0.5000000 -0.0000000), wk = 0.0026596 k( 74) = ( 0.2346939 0.5000000 -0.0000000), wk = 0.0026596 k( 75) = ( 0.2448980 0.5000000 -0.0000000), wk = 0.0026596 k( 76) = ( 0.2551020 0.5000000 -0.0000000), wk = 0.0026596 k( 77) = ( 0.2653061 0.5000000 -0.0000000), wk = 0.0026596 k( 78) = ( 0.2755102 0.5000000 -0.0000000), wk = 0.0026596 k( 79) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026596 k( 80) = ( 0.2959184 0.5000000 -0.0000000), wk = 0.0026596 k( 81) = ( 0.3061224 0.5000000 -0.0000000), wk = 0.0026596 k( 82) = ( 0.3163265 0.5000000 -0.0000000), wk = 0.0026596 k( 83) = ( 0.3265306 0.5000000 -0.0000000), wk = 0.0026596 k( 84) = ( 0.3367347 0.5000000 -0.0000000), wk = 0.0026596 k( 85) = ( 0.3469388 0.5000000 -0.0000000), wk = 0.0026596 k( 86) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026596 k( 87) = ( 0.3673469 0.5000000 -0.0000000), wk = 0.0026596 k( 88) = ( 0.3775510 0.5000000 -0.0000000), wk = 0.0026596 k( 89) = ( 0.3877551 0.5000000 -0.0000000), wk = 0.0026596 k( 90) = ( 0.3979592 0.5000000 -0.0000000), wk = 0.0026596 k( 91) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0026596 k( 92) = ( 0.4183674 0.5000000 -0.0000000), wk = 0.0026596 k( 93) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026596 k( 94) = ( 0.4387755 0.5000000 -0.0000000), wk = 0.0026596 k( 95) = ( 0.4489796 0.5000000 -0.0000000), wk = 0.0026596 k( 96) = ( 0.4591837 0.5000000 -0.0000000), wk = 0.0026596 k( 97) = ( 0.4693878 0.5000000 -0.0000000), wk = 0.0026596 k( 98) = ( 0.4795918 0.5000000 -0.0000000), wk = 0.0026596 k( 99) = ( 0.4897959 0.5000000 -0.0000000), wk = 0.0026596 k( 100) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 101) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 102) = ( 0.4927536 0.4927536 -0.0000000), wk = 0.0026596 k( 103) = ( 0.4855073 0.4855072 -0.0000000), wk = 0.0026596 k( 104) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0026596 k( 105) = ( 0.4710145 0.4710145 -0.0000000), wk = 0.0026596 k( 106) = ( 0.4637681 0.4637681 -0.0000000), wk = 0.0026596 k( 107) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0026596 k( 108) = ( 0.4492754 0.4492754 -0.0000000), wk = 0.0026596 k( 109) = ( 0.4420290 0.4420290 -0.0000000), wk = 0.0026596 k( 110) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0026596 k( 111) = ( 0.4275362 0.4275362 -0.0000000), wk = 0.0026596 k( 112) = ( 0.4202899 0.4202899 -0.0000000), wk = 0.0026596 k( 113) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0026596 k( 114) = ( 0.4057971 0.4057971 -0.0000000), wk = 0.0026596 k( 115) = ( 0.3985507 0.3985507 -0.0000000), wk = 0.0026596 k( 116) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0026596 k( 117) = ( 0.3840580 0.3840580 -0.0000000), wk = 0.0026596 k( 118) = ( 0.3768116 0.3768116 -0.0000000), wk = 0.0026596 k( 119) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0026596 k( 120) = ( 0.3623188 0.3623188 -0.0000000), wk = 0.0026596 k( 121) = ( 0.3550725 0.3550725 -0.0000000), wk = 0.0026596 k( 122) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0026596 k( 123) = ( 0.3405797 0.3405797 -0.0000000), wk = 0.0026596 k( 124) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026596 k( 125) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0026596 k( 126) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0026596 k( 127) = ( 0.3115942 0.3115942 -0.0000000), wk = 0.0026596 k( 128) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0026596 k( 129) = ( 0.2971014 0.2971014 -0.0000000), wk = 0.0026596 k( 130) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0026596 k( 131) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0026596 k( 132) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0026596 k( 133) = ( 0.2681159 0.2681159 -0.0000000), wk = 0.0026596 k( 134) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0026596 k( 135) = ( 0.2536232 0.2536232 -0.0000000), wk = 0.0026596 k( 136) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0026596 k( 137) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0026596 k( 138) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0026596 k( 139) = ( 0.2246377 0.2246377 -0.0000000), wk = 0.0026596 k( 140) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0026596 k( 141) = ( 0.2101449 0.2101449 -0.0000000), wk = 0.0026596 k( 142) = ( 0.2028986 0.2028985 -0.0000000), wk = 0.0026596 k( 143) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0026596 k( 144) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0026596 k( 145) = ( 0.1811594 0.1811594 -0.0000000), wk = 0.0026596 k( 146) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0026596 k( 147) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026596 k( 148) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0026596 k( 149) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0026596 k( 150) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0026596 k( 151) = ( 0.1376812 0.1376812 -0.0000000), wk = 0.0026596 k( 152) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0026596 k( 153) = ( 0.1231884 0.1231884 -0.0000000), wk = 0.0026596 k( 154) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0026596 k( 155) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0026596 k( 156) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0026596 k( 157) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0026596 k( 158) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0026596 k( 159) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0026596 k( 160) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0026596 k( 161) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0026596 k( 162) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0026596 k( 163) = ( 0.0507246 0.0507246 -0.0000000), wk = 0.0026596 k( 164) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0026596 k( 165) = ( 0.0362319 0.0362319 -0.0000000), wk = 0.0026596 k( 166) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0026596 k( 167) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0026596 k( 168) = ( 0.0144928 0.0144927 -0.0000000), wk = 0.0026596 k( 169) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0026596 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 172) = ( 0.0058823 0.0058823 0.0058823), wk = 0.0026596 k( 173) = ( 0.0117647 0.0117647 0.0117647), wk = 0.0026596 k( 174) = ( 0.0176471 0.0176471 0.0176471), wk = 0.0026596 k( 175) = ( 0.0235294 0.0235294 0.0235294), wk = 0.0026596 k( 176) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0026596 k( 177) = ( 0.0352941 0.0352941 0.0352941), wk = 0.0026596 k( 178) = ( 0.0411765 0.0411765 0.0411765), wk = 0.0026596 k( 179) = ( 0.0470588 0.0470588 0.0470588), wk = 0.0026596 k( 180) = ( 0.0529412 0.0529412 0.0529412), wk = 0.0026596 k( 181) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0026596 k( 182) = ( 0.0647059 0.0647059 0.0647059), wk = 0.0026596 k( 183) = ( 0.0705882 0.0705882 0.0705882), wk = 0.0026596 k( 184) = ( 0.0764706 0.0764706 0.0764706), wk = 0.0026596 k( 185) = ( 0.0823529 0.0823529 0.0823529), wk = 0.0026596 k( 186) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0026596 k( 187) = ( 0.0941176 0.0941176 0.0941176), wk = 0.0026596 k( 188) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026596 k( 189) = ( 0.1058824 0.1058823 0.1058823), wk = 0.0026596 k( 190) = ( 0.1117647 0.1117647 0.1117647), wk = 0.0026596 k( 191) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0026596 k( 192) = ( 0.1235294 0.1235294 0.1235294), wk = 0.0026596 k( 193) = ( 0.1294118 0.1294118 0.1294118), wk = 0.0026596 k( 194) = ( 0.1352941 0.1352941 0.1352941), wk = 0.0026596 k( 195) = ( 0.1411765 0.1411765 0.1411765), wk = 0.0026596 k( 196) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0026596 k( 197) = ( 0.1529412 0.1529412 0.1529412), wk = 0.0026596 k( 198) = ( 0.1588235 0.1588235 0.1588235), wk = 0.0026596 k( 199) = ( 0.1647059 0.1647059 0.1647059), wk = 0.0026596 k( 200) = ( 0.1705882 0.1705882 0.1705882), wk = 0.0026596 k( 201) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0026596 k( 202) = ( 0.1823529 0.1823529 0.1823529), wk = 0.0026596 k( 203) = ( 0.1882353 0.1882353 0.1882353), wk = 0.0026596 k( 204) = ( 0.1941177 0.1941176 0.1941176), wk = 0.0026596 k( 205) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026596 k( 206) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0026596 k( 207) = ( 0.2117647 0.2117647 0.2117647), wk = 0.0026596 k( 208) = ( 0.2176471 0.2176471 0.2176471), wk = 0.0026596 k( 209) = ( 0.2235294 0.2235294 0.2235294), wk = 0.0026596 k( 210) = ( 0.2294118 0.2294118 0.2294118), wk = 0.0026596 k( 211) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0026596 k( 212) = ( 0.2411765 0.2411765 0.2411765), wk = 0.0026596 k( 213) = ( 0.2470588 0.2470588 0.2470588), wk = 0.0026596 k( 214) = ( 0.2529412 0.2529412 0.2529412), wk = 0.0026596 k( 215) = ( 0.2588235 0.2588235 0.2588235), wk = 0.0026596 k( 216) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0026596 k( 217) = ( 0.2705882 0.2705882 0.2705882), wk = 0.0026596 k( 218) = ( 0.2764706 0.2764706 0.2764706), wk = 0.0026596 k( 219) = ( 0.2823529 0.2823529 0.2823529), wk = 0.0026596 k( 220) = ( 0.2882353 0.2882353 0.2882353), wk = 0.0026596 k( 221) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0026596 k( 222) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026596 k( 223) = ( 0.3058824 0.3058823 0.3058823), wk = 0.0026596 k( 224) = ( 0.3117647 0.3117647 0.3117647), wk = 0.0026596 k( 225) = ( 0.3176471 0.3176471 0.3176471), wk = 0.0026596 k( 226) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0026596 k( 227) = ( 0.3294118 0.3294118 0.3294118), wk = 0.0026596 k( 228) = ( 0.3352941 0.3352941 0.3352941), wk = 0.0026596 k( 229) = ( 0.3411765 0.3411765 0.3411765), wk = 0.0026596 k( 230) = ( 0.3470588 0.3470588 0.3470588), wk = 0.0026596 k( 231) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0026596 k( 232) = ( 0.3588235 0.3588235 0.3588235), wk = 0.0026596 k( 233) = ( 0.3647059 0.3647059 0.3647059), wk = 0.0026596 k( 234) = ( 0.3705882 0.3705882 0.3705882), wk = 0.0026596 k( 235) = ( 0.3764706 0.3764706 0.3764706), wk = 0.0026596 k( 236) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0026596 k( 237) = ( 0.3882353 0.3882353 0.3882353), wk = 0.0026596 k( 238) = ( 0.3941176 0.3941176 0.3941176), wk = 0.0026596 k( 239) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026596 k( 240) = ( 0.4058824 0.4058823 0.4058823), wk = 0.0026596 k( 241) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0026596 k( 242) = ( 0.4176471 0.4176471 0.4176471), wk = 0.0026596 k( 243) = ( 0.4235294 0.4235294 0.4235294), wk = 0.0026596 k( 244) = ( 0.4294118 0.4294118 0.4294118), wk = 0.0026596 k( 245) = ( 0.4352941 0.4352941 0.4352941), wk = 0.0026596 k( 246) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0026596 k( 247) = ( 0.4470588 0.4470588 0.4470588), wk = 0.0026596 k( 248) = ( 0.4529412 0.4529412 0.4529412), wk = 0.0026596 k( 249) = ( 0.4588235 0.4588235 0.4588235), wk = 0.0026596 k( 250) = ( 0.4647059 0.4647059 0.4647059), wk = 0.0026596 k( 251) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0026596 k( 252) = ( 0.4764706 0.4764706 0.4764706), wk = 0.0026596 k( 253) = ( 0.4823529 0.4823529 0.4823529), wk = 0.0026596 k( 254) = ( 0.4882353 0.4882353 0.4882353), wk = 0.0026596 k( 255) = ( 0.4941177 0.4941176 0.4941176), wk = 0.0026596 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 258) = ( 0.4927536 0.5000000 0.4927536), wk = 0.0026596 k( 259) = ( 0.4855073 0.5000000 0.4855072), wk = 0.0026596 k( 260) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0026596 k( 261) = ( 0.4710145 0.5000000 0.4710145), wk = 0.0026596 k( 262) = ( 0.4637681 0.5000000 0.4637681), wk = 0.0026596 k( 263) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0026596 k( 264) = ( 0.4492754 0.5000000 0.4492754), wk = 0.0026596 k( 265) = ( 0.4420290 0.5000000 0.4420290), wk = 0.0026596 k( 266) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0026596 k( 267) = ( 0.4275362 0.5000000 0.4275362), wk = 0.0026596 k( 268) = ( 0.4202899 0.5000000 0.4202899), wk = 0.0026596 k( 269) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0026596 k( 270) = ( 0.4057971 0.5000000 0.4057971), wk = 0.0026596 k( 271) = ( 0.3985507 0.5000000 0.3985507), wk = 0.0026596 k( 272) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0026596 k( 273) = ( 0.3840580 0.5000000 0.3840580), wk = 0.0026596 k( 274) = ( 0.3768116 0.5000000 0.3768116), wk = 0.0026596 k( 275) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0026596 k( 276) = ( 0.3623188 0.5000000 0.3623188), wk = 0.0026596 k( 277) = ( 0.3550725 0.5000000 0.3550725), wk = 0.0026596 k( 278) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0026596 k( 279) = ( 0.3405797 0.5000000 0.3405797), wk = 0.0026596 k( 280) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0026596 k( 281) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0026596 k( 282) = ( 0.3188406 0.5000000 0.3188406), wk = 0.0026596 k( 283) = ( 0.3115942 0.5000000 0.3115942), wk = 0.0026596 k( 284) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0026596 k( 285) = ( 0.2971014 0.5000000 0.2971014), wk = 0.0026596 k( 286) = ( 0.2898551 0.5000000 0.2898551), wk = 0.0026596 k( 287) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0026596 k( 288) = ( 0.2753623 0.5000000 0.2753623), wk = 0.0026596 k( 289) = ( 0.2681159 0.5000000 0.2681159), wk = 0.0026596 k( 290) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0026596 k( 291) = ( 0.2536232 0.5000000 0.2536232), wk = 0.0026596 k( 292) = ( 0.2463768 0.5000000 0.2463768), wk = 0.0026596 k( 293) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0026596 k( 294) = ( 0.2318841 0.5000000 0.2318841), wk = 0.0026596 k( 295) = ( 0.2246377 0.5000000 0.2246377), wk = 0.0026596 k( 296) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0026596 k( 297) = ( 0.2101449 0.5000000 0.2101449), wk = 0.0026596 k( 298) = ( 0.2028986 0.5000000 0.2028985), wk = 0.0026596 k( 299) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0026596 k( 300) = ( 0.1884058 0.5000000 0.1884058), wk = 0.0026596 k( 301) = ( 0.1811594 0.5000000 0.1811594), wk = 0.0026596 k( 302) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0026596 k( 303) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0026596 k( 304) = ( 0.1594203 0.5000000 0.1594203), wk = 0.0026596 k( 305) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0026596 k( 306) = ( 0.1449275 0.5000000 0.1449275), wk = 0.0026596 k( 307) = ( 0.1376812 0.5000000 0.1376812), wk = 0.0026596 k( 308) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0026596 k( 309) = ( 0.1231884 0.5000000 0.1231884), wk = 0.0026596 k( 310) = ( 0.1159420 0.5000000 0.1159420), wk = 0.0026596 k( 311) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0026596 k( 312) = ( 0.1014493 0.5000000 0.1014493), wk = 0.0026596 k( 313) = ( 0.0942029 0.5000000 0.0942029), wk = 0.0026596 k( 314) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0026596 k( 315) = ( 0.0797101 0.5000000 0.0797101), wk = 0.0026596 k( 316) = ( 0.0724638 0.5000000 0.0724638), wk = 0.0026596 k( 317) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0026596 k( 318) = ( 0.0579710 0.5000000 0.0579710), wk = 0.0026596 k( 319) = ( 0.0507246 0.5000000 0.0507246), wk = 0.0026596 k( 320) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0026596 k( 321) = ( 0.0362319 0.5000000 0.0362319), wk = 0.0026596 k( 322) = ( 0.0289855 0.5000000 0.0289855), wk = 0.0026596 k( 323) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0026596 k( 324) = ( 0.0144928 0.5000000 0.0144927), wk = 0.0026596 k( 325) = ( 0.0072464 0.5000000 0.0072464), wk = 0.0026596 k( 326) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 328) = ( 0.5000000 0.5000000 0.0102041), wk = 0.0026596 k( 329) = ( 0.5000000 0.5000000 0.0204082), wk = 0.0026596 k( 330) = ( 0.5000000 0.5000000 0.0306122), wk = 0.0026596 k( 331) = ( 0.5000000 0.5000000 0.0408163), wk = 0.0026596 k( 332) = ( 0.5000000 0.5000000 0.0510204), wk = 0.0026596 k( 333) = ( 0.5000000 0.5000000 0.0612245), wk = 0.0026596 k( 334) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0026596 k( 335) = ( 0.5000000 0.5000000 0.0816326), wk = 0.0026596 k( 336) = ( 0.5000000 0.5000000 0.0918367), wk = 0.0026596 k( 337) = ( 0.5000000 0.5000000 0.1020408), wk = 0.0026596 k( 338) = ( 0.5000000 0.5000000 0.1122449), wk = 0.0026596 k( 339) = ( 0.5000000 0.5000000 0.1224490), wk = 0.0026596 k( 340) = ( 0.5000000 0.5000000 0.1326531), wk = 0.0026596 k( 341) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0026596 k( 342) = ( 0.5000000 0.5000000 0.1530612), wk = 0.0026596 k( 343) = ( 0.5000000 0.5000000 0.1632653), wk = 0.0026596 k( 344) = ( 0.5000000 0.5000000 0.1734694), wk = 0.0026596 k( 345) = ( 0.5000000 0.5000000 0.1836735), wk = 0.0026596 k( 346) = ( 0.5000000 0.5000000 0.1938775), wk = 0.0026596 k( 347) = ( 0.5000000 0.5000000 0.2040816), wk = 0.0026596 k( 348) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0026596 k( 349) = ( 0.5000000 0.5000000 0.2244898), wk = 0.0026596 k( 350) = ( 0.5000000 0.5000000 0.2346939), wk = 0.0026596 k( 351) = ( 0.5000000 0.5000000 0.2448980), wk = 0.0026596 k( 352) = ( 0.5000000 0.5000000 0.2551020), wk = 0.0026596 k( 353) = ( 0.5000000 0.5000000 0.2653061), wk = 0.0026596 k( 354) = ( 0.5000000 0.5000000 0.2755102), wk = 0.0026596 k( 355) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0026596 k( 356) = ( 0.5000000 0.5000000 0.2959184), wk = 0.0026596 k( 357) = ( 0.5000000 0.5000000 0.3061224), wk = 0.0026596 k( 358) = ( 0.5000000 0.5000000 0.3163265), wk = 0.0026596 k( 359) = ( 0.5000000 0.5000000 0.3265306), wk = 0.0026596 k( 360) = ( 0.5000000 0.5000000 0.3367347), wk = 0.0026596 k( 361) = ( 0.5000000 0.5000000 0.3469388), wk = 0.0026596 k( 362) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0026596 k( 363) = ( 0.5000000 0.5000000 0.3673469), wk = 0.0026596 k( 364) = ( 0.5000000 0.5000000 0.3775510), wk = 0.0026596 k( 365) = ( 0.5000000 0.5000000 0.3877551), wk = 0.0026596 k( 366) = ( 0.5000000 0.5000000 0.3979592), wk = 0.0026596 k( 367) = ( 0.5000000 0.5000000 0.4081633), wk = 0.0026596 k( 368) = ( 0.5000000 0.5000000 0.4183673), wk = 0.0026596 k( 369) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0026596 k( 370) = ( 0.5000000 0.5000000 0.4387755), wk = 0.0026596 k( 371) = ( 0.5000000 0.5000000 0.4489796), wk = 0.0026596 k( 372) = ( 0.5000000 0.5000000 0.4591837), wk = 0.0026596 k( 373) = ( 0.5000000 0.5000000 0.4693878), wk = 0.0026596 k( 374) = ( 0.5000000 0.5000000 0.4795918), wk = 0.0026596 k( 375) = ( 0.5000000 0.5000000 0.4897959), wk = 0.0026596 k( 376) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0000000 0.0102041 0.0000000), wk = 0.0026596 k( 3) = ( 0.0000000 0.0204082 0.0000000), wk = 0.0026596 k( 4) = ( 0.0000000 0.0306122 0.0000000), wk = 0.0026596 k( 5) = ( 0.0000000 0.0408163 0.0000000), wk = 0.0026596 k( 6) = ( 0.0000000 0.0510204 0.0000000), wk = 0.0026596 k( 7) = ( 0.0000000 0.0612245 0.0000000), wk = 0.0026596 k( 8) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0026596 k( 9) = ( 0.0000000 0.0816327 0.0000000), wk = 0.0026596 k( 10) = ( 0.0000000 0.0918367 0.0000000), wk = 0.0026596 k( 11) = ( 0.0000000 0.1020408 0.0000000), wk = 0.0026596 k( 12) = ( 0.0000000 0.1122449 0.0000000), wk = 0.0026596 k( 13) = ( 0.0000000 0.1224490 0.0000000), wk = 0.0026596 k( 14) = ( 0.0000000 0.1326531 0.0000000), wk = 0.0026596 k( 15) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0026596 k( 16) = ( 0.0000000 0.1530612 0.0000000), wk = 0.0026596 k( 17) = ( 0.0000000 0.1632653 0.0000000), wk = 0.0026596 k( 18) = ( 0.0000000 0.1734694 0.0000000), wk = 0.0026596 k( 19) = ( 0.0000000 0.1836735 0.0000000), wk = 0.0026596 k( 20) = ( 0.0000000 0.1938776 0.0000000), wk = 0.0026596 k( 21) = ( 0.0000000 0.2040816 0.0000000), wk = 0.0026596 k( 22) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0026596 k( 23) = ( 0.0000000 0.2244898 0.0000000), wk = 0.0026596 k( 24) = ( 0.0000000 0.2346939 0.0000000), wk = 0.0026596 k( 25) = ( 0.0000000 0.2448980 0.0000000), wk = 0.0026596 k( 26) = ( 0.0000000 0.2551020 0.0000000), wk = 0.0026596 k( 27) = ( 0.0000000 0.2653061 0.0000000), wk = 0.0026596 k( 28) = ( 0.0000000 0.2755102 0.0000000), wk = 0.0026596 k( 29) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0026596 k( 30) = ( 0.0000000 0.2959184 0.0000000), wk = 0.0026596 k( 31) = ( 0.0000000 0.3061224 0.0000000), wk = 0.0026596 k( 32) = ( 0.0000000 0.3163265 0.0000000), wk = 0.0026596 k( 33) = ( 0.0000000 0.3265306 0.0000000), wk = 0.0026596 k( 34) = ( 0.0000000 0.3367347 0.0000000), wk = 0.0026596 k( 35) = ( 0.0000000 0.3469388 0.0000000), wk = 0.0026596 k( 36) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0026596 k( 37) = ( 0.0000000 0.3673469 0.0000000), wk = 0.0026596 k( 38) = ( 0.0000000 0.3775510 0.0000000), wk = 0.0026596 k( 39) = ( 0.0000000 0.3877551 0.0000000), wk = 0.0026596 k( 40) = ( 0.0000000 0.3979592 0.0000000), wk = 0.0026596 k( 41) = ( 0.0000000 0.4081633 0.0000000), wk = 0.0026596 k( 42) = ( 0.0000000 0.4183674 0.0000000), wk = 0.0026596 k( 43) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0026596 k( 44) = ( 0.0000000 0.4387755 0.0000000), wk = 0.0026596 k( 45) = ( 0.0000000 0.4489796 0.0000000), wk = 0.0026596 k( 46) = ( 0.0000000 0.4591837 0.0000000), wk = 0.0026596 k( 47) = ( 0.0000000 0.4693878 0.0000000), wk = 0.0026596 k( 48) = ( 0.0000000 0.4795918 0.0000000), wk = 0.0026596 k( 49) = ( 0.0000000 0.4897959 0.0000000), wk = 0.0026596 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 51) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 52) = ( 0.0102041 0.5000000 0.0000000), wk = 0.0026596 k( 53) = ( 0.0204082 0.5000000 0.0000000), wk = 0.0026596 k( 54) = ( 0.0306122 0.5000000 0.0000000), wk = 0.0026596 k( 55) = ( 0.0408163 0.5000000 0.0000000), wk = 0.0026596 k( 56) = ( 0.0510204 0.5000000 0.0000000), wk = 0.0026596 k( 57) = ( 0.0612245 0.5000000 0.0000000), wk = 0.0026596 k( 58) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0026596 k( 59) = ( 0.0816327 0.5000000 0.0000000), wk = 0.0026596 k( 60) = ( 0.0918367 0.5000000 0.0000000), wk = 0.0026596 k( 61) = ( 0.1020408 0.5000000 0.0000000), wk = 0.0026596 k( 62) = ( 0.1122449 0.5000000 0.0000000), wk = 0.0026596 k( 63) = ( 0.1224490 0.5000000 0.0000000), wk = 0.0026596 k( 64) = ( 0.1326531 0.5000000 0.0000000), wk = 0.0026596 k( 65) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0026596 k( 66) = ( 0.1530612 0.5000000 0.0000000), wk = 0.0026596 k( 67) = ( 0.1632653 0.5000000 0.0000000), wk = 0.0026596 k( 68) = ( 0.1734694 0.5000000 0.0000000), wk = 0.0026596 k( 69) = ( 0.1836735 0.5000000 0.0000000), wk = 0.0026596 k( 70) = ( 0.1938776 0.5000000 0.0000000), wk = 0.0026596 k( 71) = ( 0.2040816 0.5000000 0.0000000), wk = 0.0026596 k( 72) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0026596 k( 73) = ( 0.2244898 0.5000000 0.0000000), wk = 0.0026596 k( 74) = ( 0.2346939 0.5000000 0.0000000), wk = 0.0026596 k( 75) = ( 0.2448980 0.5000000 0.0000000), wk = 0.0026596 k( 76) = ( 0.2551020 0.5000000 0.0000000), wk = 0.0026596 k( 77) = ( 0.2653061 0.5000000 0.0000000), wk = 0.0026596 k( 78) = ( 0.2755102 0.5000000 0.0000000), wk = 0.0026596 k( 79) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0026596 k( 80) = ( 0.2959184 0.5000000 0.0000000), wk = 0.0026596 k( 81) = ( 0.3061224 0.5000000 0.0000000), wk = 0.0026596 k( 82) = ( 0.3163265 0.5000000 0.0000000), wk = 0.0026596 k( 83) = ( 0.3265306 0.5000000 0.0000000), wk = 0.0026596 k( 84) = ( 0.3367347 0.5000000 0.0000000), wk = 0.0026596 k( 85) = ( 0.3469388 0.5000000 0.0000000), wk = 0.0026596 k( 86) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0026596 k( 87) = ( 0.3673469 0.5000000 0.0000000), wk = 0.0026596 k( 88) = ( 0.3775510 0.5000000 0.0000000), wk = 0.0026596 k( 89) = ( 0.3877551 0.5000000 0.0000000), wk = 0.0026596 k( 90) = ( 0.3979592 0.5000000 0.0000000), wk = 0.0026596 k( 91) = ( 0.4081633 0.5000000 0.0000000), wk = 0.0026596 k( 92) = ( 0.4183674 0.5000000 0.0000000), wk = 0.0026596 k( 93) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0026596 k( 94) = ( 0.4387755 0.5000000 0.0000000), wk = 0.0026596 k( 95) = ( 0.4489796 0.5000000 0.0000000), wk = 0.0026596 k( 96) = ( 0.4591837 0.5000000 0.0000000), wk = 0.0026596 k( 97) = ( 0.4693878 0.5000000 0.0000000), wk = 0.0026596 k( 98) = ( 0.4795918 0.5000000 0.0000000), wk = 0.0026596 k( 99) = ( 0.4897959 0.5000000 0.0000000), wk = 0.0026596 k( 100) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 101) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 102) = ( 0.4927536 0.4927536 0.0000000), wk = 0.0026596 k( 103) = ( 0.4855073 0.4855073 0.0000000), wk = 0.0026596 k( 104) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0026596 k( 105) = ( 0.4710145 0.4710145 -0.0000000), wk = 0.0026596 k( 106) = ( 0.4637681 0.4637681 0.0000000), wk = 0.0026596 k( 107) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0026596 k( 108) = ( 0.4492754 0.4492754 0.0000000), wk = 0.0026596 k( 109) = ( 0.4420290 0.4420290 0.0000000), wk = 0.0026596 k( 110) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0026596 k( 111) = ( 0.4275362 0.4275362 0.0000000), wk = 0.0026596 k( 112) = ( 0.4202899 0.4202899 0.0000000), wk = 0.0026596 k( 113) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0026596 k( 114) = ( 0.4057971 0.4057971 0.0000000), wk = 0.0026596 k( 115) = ( 0.3985507 0.3985507 0.0000000), wk = 0.0026596 k( 116) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0026596 k( 117) = ( 0.3840580 0.3840580 0.0000000), wk = 0.0026596 k( 118) = ( 0.3768116 0.3768116 0.0000000), wk = 0.0026596 k( 119) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0026596 k( 120) = ( 0.3623188 0.3623188 0.0000000), wk = 0.0026596 k( 121) = ( 0.3550725 0.3550725 0.0000000), wk = 0.0026596 k( 122) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0026596 k( 123) = ( 0.3405797 0.3405797 0.0000000), wk = 0.0026596 k( 124) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026596 k( 125) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0026596 k( 126) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0026596 k( 127) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0026596 k( 128) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0026596 k( 129) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0026596 k( 130) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0026596 k( 131) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0026596 k( 132) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0026596 k( 133) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0026596 k( 134) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0026596 k( 135) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0026596 k( 136) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0026596 k( 137) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0026596 k( 138) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0026596 k( 139) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0026596 k( 140) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0026596 k( 141) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0026596 k( 142) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0026596 k( 143) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0026596 k( 144) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0026596 k( 145) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0026596 k( 146) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0026596 k( 147) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026596 k( 148) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0026596 k( 149) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0026596 k( 150) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0026596 k( 151) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0026596 k( 152) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0026596 k( 153) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0026596 k( 154) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0026596 k( 155) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0026596 k( 156) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0026596 k( 157) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0026596 k( 158) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0026596 k( 159) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0026596 k( 160) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0026596 k( 161) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0026596 k( 162) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0026596 k( 163) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0026596 k( 164) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0026596 k( 165) = ( 0.0362319 0.0362319 -0.0000000), wk = 0.0026596 k( 166) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0026596 k( 167) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0026596 k( 168) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0026596 k( 169) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0026596 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 172) = ( 0.0058823 0.0058823 0.0058823), wk = 0.0026596 k( 173) = ( 0.0117647 0.0117647 0.0117647), wk = 0.0026596 k( 174) = ( 0.0176471 0.0176471 0.0176471), wk = 0.0026596 k( 175) = ( 0.0235294 0.0235294 0.0235294), wk = 0.0026596 k( 176) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0026596 k( 177) = ( 0.0352941 0.0352941 0.0352941), wk = 0.0026596 k( 178) = ( 0.0411765 0.0411765 0.0411765), wk = 0.0026596 k( 179) = ( 0.0470588 0.0470588 0.0470588), wk = 0.0026596 k( 180) = ( 0.0529412 0.0529412 0.0529412), wk = 0.0026596 k( 181) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0026596 k( 182) = ( 0.0647059 0.0647059 0.0647059), wk = 0.0026596 k( 183) = ( 0.0705882 0.0705882 0.0705882), wk = 0.0026596 k( 184) = ( 0.0764706 0.0764706 0.0764706), wk = 0.0026596 k( 185) = ( 0.0823529 0.0823529 0.0823529), wk = 0.0026596 k( 186) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0026596 k( 187) = ( 0.0941176 0.0941176 0.0941176), wk = 0.0026596 k( 188) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026596 k( 189) = ( 0.1058824 0.1058824 0.1058824), wk = 0.0026596 k( 190) = ( 0.1117647 0.1117647 0.1117647), wk = 0.0026596 k( 191) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0026596 k( 192) = ( 0.1235294 0.1235294 0.1235294), wk = 0.0026596 k( 193) = ( 0.1294118 0.1294118 0.1294118), wk = 0.0026596 k( 194) = ( 0.1352941 0.1352941 0.1352941), wk = 0.0026596 k( 195) = ( 0.1411765 0.1411765 0.1411765), wk = 0.0026596 k( 196) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0026596 k( 197) = ( 0.1529412 0.1529412 0.1529412), wk = 0.0026596 k( 198) = ( 0.1588235 0.1588235 0.1588235), wk = 0.0026596 k( 199) = ( 0.1647059 0.1647059 0.1647059), wk = 0.0026596 k( 200) = ( 0.1705882 0.1705882 0.1705882), wk = 0.0026596 k( 201) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0026596 k( 202) = ( 0.1823529 0.1823529 0.1823529), wk = 0.0026596 k( 203) = ( 0.1882353 0.1882353 0.1882353), wk = 0.0026596 k( 204) = ( 0.1941177 0.1941177 0.1941177), wk = 0.0026596 k( 205) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026596 k( 206) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0026596 k( 207) = ( 0.2117647 0.2117647 0.2117647), wk = 0.0026596 k( 208) = ( 0.2176471 0.2176471 0.2176471), wk = 0.0026596 k( 209) = ( 0.2235294 0.2235294 0.2235294), wk = 0.0026596 k( 210) = ( 0.2294118 0.2294118 0.2294118), wk = 0.0026596 k( 211) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0026596 k( 212) = ( 0.2411765 0.2411765 0.2411765), wk = 0.0026596 k( 213) = ( 0.2470588 0.2470588 0.2470588), wk = 0.0026596 k( 214) = ( 0.2529412 0.2529412 0.2529412), wk = 0.0026596 k( 215) = ( 0.2588235 0.2588235 0.2588235), wk = 0.0026596 k( 216) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0026596 k( 217) = ( 0.2705882 0.2705882 0.2705882), wk = 0.0026596 k( 218) = ( 0.2764706 0.2764706 0.2764706), wk = 0.0026596 k( 219) = ( 0.2823529 0.2823529 0.2823529), wk = 0.0026596 k( 220) = ( 0.2882353 0.2882353 0.2882353), wk = 0.0026596 k( 221) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0026596 k( 222) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026596 k( 223) = ( 0.3058824 0.3058824 0.3058824), wk = 0.0026596 k( 224) = ( 0.3117647 0.3117647 0.3117647), wk = 0.0026596 k( 225) = ( 0.3176471 0.3176471 0.3176471), wk = 0.0026596 k( 226) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0026596 k( 227) = ( 0.3294118 0.3294118 0.3294118), wk = 0.0026596 k( 228) = ( 0.3352941 0.3352941 0.3352941), wk = 0.0026596 k( 229) = ( 0.3411765 0.3411765 0.3411765), wk = 0.0026596 k( 230) = ( 0.3470588 0.3470588 0.3470588), wk = 0.0026596 k( 231) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0026596 k( 232) = ( 0.3588235 0.3588235 0.3588235), wk = 0.0026596 k( 233) = ( 0.3647059 0.3647059 0.3647059), wk = 0.0026596 k( 234) = ( 0.3705882 0.3705882 0.3705882), wk = 0.0026596 k( 235) = ( 0.3764706 0.3764706 0.3764706), wk = 0.0026596 k( 236) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0026596 k( 237) = ( 0.3882353 0.3882353 0.3882353), wk = 0.0026596 k( 238) = ( 0.3941176 0.3941176 0.3941176), wk = 0.0026596 k( 239) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026596 k( 240) = ( 0.4058824 0.4058824 0.4058824), wk = 0.0026596 k( 241) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0026596 k( 242) = ( 0.4176471 0.4176471 0.4176471), wk = 0.0026596 k( 243) = ( 0.4235294 0.4235294 0.4235294), wk = 0.0026596 k( 244) = ( 0.4294118 0.4294118 0.4294118), wk = 0.0026596 k( 245) = ( 0.4352941 0.4352941 0.4352941), wk = 0.0026596 k( 246) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0026596 k( 247) = ( 0.4470588 0.4470588 0.4470588), wk = 0.0026596 k( 248) = ( 0.4529412 0.4529412 0.4529412), wk = 0.0026596 k( 249) = ( 0.4588235 0.4588235 0.4588235), wk = 0.0026596 k( 250) = ( 0.4647059 0.4647059 0.4647059), wk = 0.0026596 k( 251) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0026596 k( 252) = ( 0.4764706 0.4764706 0.4764706), wk = 0.0026596 k( 253) = ( 0.4823529 0.4823529 0.4823529), wk = 0.0026596 k( 254) = ( 0.4882353 0.4882353 0.4882353), wk = 0.0026596 k( 255) = ( 0.4941177 0.4941177 0.4941177), wk = 0.0026596 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 258) = ( 0.4927536 0.5000000 0.4927536), wk = 0.0026596 k( 259) = ( 0.4855073 0.5000000 0.4855073), wk = 0.0026596 k( 260) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0026596 k( 261) = ( 0.4710145 0.5000000 0.4710145), wk = 0.0026596 k( 262) = ( 0.4637681 0.5000000 0.4637681), wk = 0.0026596 k( 263) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0026596 k( 264) = ( 0.4492754 0.5000000 0.4492754), wk = 0.0026596 k( 265) = ( 0.4420290 0.5000000 0.4420290), wk = 0.0026596 k( 266) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0026596 k( 267) = ( 0.4275362 0.5000000 0.4275362), wk = 0.0026596 k( 268) = ( 0.4202899 0.5000000 0.4202899), wk = 0.0026596 k( 269) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0026596 k( 270) = ( 0.4057971 0.5000000 0.4057971), wk = 0.0026596 k( 271) = ( 0.3985507 0.5000000 0.3985507), wk = 0.0026596 k( 272) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0026596 k( 273) = ( 0.3840580 0.5000000 0.3840580), wk = 0.0026596 k( 274) = ( 0.3768116 0.5000000 0.3768116), wk = 0.0026596 k( 275) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0026596 k( 276) = ( 0.3623188 0.5000000 0.3623188), wk = 0.0026596 k( 277) = ( 0.3550725 0.5000000 0.3550725), wk = 0.0026596 k( 278) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0026596 k( 279) = ( 0.3405797 0.5000000 0.3405797), wk = 0.0026596 k( 280) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0026596 k( 281) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0026596 k( 282) = ( 0.3188406 0.5000000 0.3188406), wk = 0.0026596 k( 283) = ( 0.3115942 0.5000000 0.3115942), wk = 0.0026596 k( 284) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0026596 k( 285) = ( 0.2971014 0.5000000 0.2971014), wk = 0.0026596 k( 286) = ( 0.2898551 0.5000000 0.2898551), wk = 0.0026596 k( 287) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0026596 k( 288) = ( 0.2753623 0.5000000 0.2753623), wk = 0.0026596 k( 289) = ( 0.2681159 0.5000000 0.2681159), wk = 0.0026596 k( 290) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0026596 k( 291) = ( 0.2536232 0.5000000 0.2536232), wk = 0.0026596 k( 292) = ( 0.2463768 0.5000000 0.2463768), wk = 0.0026596 k( 293) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0026596 k( 294) = ( 0.2318841 0.5000000 0.2318841), wk = 0.0026596 k( 295) = ( 0.2246377 0.5000000 0.2246377), wk = 0.0026596 k( 296) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0026596 k( 297) = ( 0.2101449 0.5000000 0.2101449), wk = 0.0026596 k( 298) = ( 0.2028986 0.5000000 0.2028986), wk = 0.0026596 k( 299) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0026596 k( 300) = ( 0.1884058 0.5000000 0.1884058), wk = 0.0026596 k( 301) = ( 0.1811594 0.5000000 0.1811594), wk = 0.0026596 k( 302) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0026596 k( 303) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0026596 k( 304) = ( 0.1594203 0.5000000 0.1594203), wk = 0.0026596 k( 305) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0026596 k( 306) = ( 0.1449275 0.5000000 0.1449275), wk = 0.0026596 k( 307) = ( 0.1376812 0.5000000 0.1376812), wk = 0.0026596 k( 308) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0026596 k( 309) = ( 0.1231884 0.5000000 0.1231884), wk = 0.0026596 k( 310) = ( 0.1159420 0.5000000 0.1159420), wk = 0.0026596 k( 311) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0026596 k( 312) = ( 0.1014493 0.5000000 0.1014493), wk = 0.0026596 k( 313) = ( 0.0942029 0.5000000 0.0942029), wk = 0.0026596 k( 314) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0026596 k( 315) = ( 0.0797101 0.5000000 0.0797101), wk = 0.0026596 k( 316) = ( 0.0724638 0.5000000 0.0724638), wk = 0.0026596 k( 317) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0026596 k( 318) = ( 0.0579710 0.5000000 0.0579710), wk = 0.0026596 k( 319) = ( 0.0507246 0.5000000 0.0507246), wk = 0.0026596 k( 320) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0026596 k( 321) = ( 0.0362319 0.5000000 0.0362319), wk = 0.0026596 k( 322) = ( 0.0289855 0.5000000 0.0289855), wk = 0.0026596 k( 323) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0026596 k( 324) = ( 0.0144928 0.5000000 0.0144928), wk = 0.0026596 k( 325) = ( 0.0072464 0.5000000 0.0072464), wk = 0.0026596 k( 326) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 327) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 328) = ( 0.5000000 0.5000000 0.0102041), wk = 0.0026596 k( 329) = ( 0.5000000 0.5000000 0.0204082), wk = 0.0026596 k( 330) = ( 0.5000000 0.5000000 0.0306122), wk = 0.0026596 k( 331) = ( 0.5000000 0.5000000 0.0408163), wk = 0.0026596 k( 332) = ( 0.5000000 0.5000000 0.0510204), wk = 0.0026596 k( 333) = ( 0.5000000 0.5000000 0.0612245), wk = 0.0026596 k( 334) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0026596 k( 335) = ( 0.5000000 0.5000000 0.0816327), wk = 0.0026596 k( 336) = ( 0.5000000 0.5000000 0.0918367), wk = 0.0026596 k( 337) = ( 0.5000000 0.5000000 0.1020408), wk = 0.0026596 k( 338) = ( 0.5000000 0.5000000 0.1122449), wk = 0.0026596 k( 339) = ( 0.5000000 0.5000000 0.1224490), wk = 0.0026596 k( 340) = ( 0.5000000 0.5000000 0.1326531), wk = 0.0026596 k( 341) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0026596 k( 342) = ( 0.5000000 0.5000000 0.1530612), wk = 0.0026596 k( 343) = ( 0.5000000 0.5000000 0.1632653), wk = 0.0026596 k( 344) = ( 0.5000000 0.5000000 0.1734694), wk = 0.0026596 k( 345) = ( 0.5000000 0.5000000 0.1836735), wk = 0.0026596 k( 346) = ( 0.5000000 0.5000000 0.1938776), wk = 0.0026596 k( 347) = ( 0.5000000 0.5000000 0.2040816), wk = 0.0026596 k( 348) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0026596 k( 349) = ( 0.5000000 0.5000000 0.2244898), wk = 0.0026596 k( 350) = ( 0.5000000 0.5000000 0.2346939), wk = 0.0026596 k( 351) = ( 0.5000000 0.5000000 0.2448980), wk = 0.0026596 k( 352) = ( 0.5000000 0.5000000 0.2551020), wk = 0.0026596 k( 353) = ( 0.5000000 0.5000000 0.2653061), wk = 0.0026596 k( 354) = ( 0.5000000 0.5000000 0.2755102), wk = 0.0026596 k( 355) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0026596 k( 356) = ( 0.5000000 0.5000000 0.2959184), wk = 0.0026596 k( 357) = ( 0.5000000 0.5000000 0.3061224), wk = 0.0026596 k( 358) = ( 0.5000000 0.5000000 0.3163265), wk = 0.0026596 k( 359) = ( 0.5000000 0.5000000 0.3265306), wk = 0.0026596 k( 360) = ( 0.5000000 0.5000000 0.3367347), wk = 0.0026596 k( 361) = ( 0.5000000 0.5000000 0.3469388), wk = 0.0026596 k( 362) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0026596 k( 363) = ( 0.5000000 0.5000000 0.3673469), wk = 0.0026596 k( 364) = ( 0.5000000 0.5000000 0.3775510), wk = 0.0026596 k( 365) = ( 0.5000000 0.5000000 0.3877551), wk = 0.0026596 k( 366) = ( 0.5000000 0.5000000 0.3979592), wk = 0.0026596 k( 367) = ( 0.5000000 0.5000000 0.4081633), wk = 0.0026596 k( 368) = ( 0.5000000 0.5000000 0.4183674), wk = 0.0026596 k( 369) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0026596 k( 370) = ( 0.5000000 0.5000000 0.4387755), wk = 0.0026596 k( 371) = ( 0.5000000 0.5000000 0.4489796), wk = 0.0026596 k( 372) = ( 0.5000000 0.5000000 0.4591837), wk = 0.0026596 k( 373) = ( 0.5000000 0.5000000 0.4693878), wk = 0.0026596 k( 374) = ( 0.5000000 0.5000000 0.4795918), wk = 0.0026596 k( 375) = ( 0.5000000 0.5000000 0.4897959), wk = 0.0026596 k( 376) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 Dense grid: 21975 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 172, 36) NL pseudopotentials 0.09 Mb ( 86, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 610) G-vector shells 0.00 Mb ( 172) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 172, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 68, 2, 36) The potential is recalculated from file : ./HfRu.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.4 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 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time spent up to now is 3.6 secs Computing kpt #: 17 total cpu time spent up to now is 3.7 secs Computing kpt #: 18 total cpu time spent up to now is 3.8 secs Computing kpt #: 19 total cpu time spent up to now is 4.0 secs Computing kpt #: 20 total cpu time spent up to now is 4.1 secs Computing kpt #: 21 total cpu time spent up to now is 4.2 secs Computing kpt #: 22 total cpu time spent up to now is 4.4 secs Computing kpt #: 23 total cpu time spent up to now is 4.5 secs Computing kpt #: 24 total cpu time spent up to now is 4.6 secs Computing kpt #: 25 total cpu time spent up to now is 4.7 secs Computing kpt #: 26 total cpu time spent up to now is 4.9 secs Computing kpt #: 27 total cpu time spent up to now is 5.0 secs Computing kpt #: 28 total cpu time spent up to now is 5.1 secs Computing kpt #: 29 total cpu time spent up to now is 5.2 secs Computing kpt #: 30 total cpu time spent up to now is 5.4 secs Computing kpt #: 31 total cpu time spent up to now is 5.5 secs Computing kpt #: 32 total cpu time spent up to now is 5.6 secs Computing kpt #: 33 total cpu time spent up to now is 5.8 secs Computing kpt #: 34 total cpu time spent up to now is 5.9 secs Computing kpt #: 35 total cpu time spent up to now is 6.0 secs Computing kpt #: 36 total cpu time spent up to now is 6.1 secs Computing kpt #: 37 total cpu time spent up to now is 6.3 secs Computing kpt #: 38 total cpu time spent up to now is 6.4 secs Computing kpt #: 39 total cpu time spent up to now is 6.5 secs Computing kpt #: 40 total cpu time spent up to now is 6.6 secs Computing kpt #: 41 total cpu time spent up to now is 6.8 secs Computing kpt #: 42 total cpu time spent up to now is 6.9 secs Computing kpt #: 43 total cpu time spent up to now is 7.0 secs Computing kpt #: 44 total cpu time spent up to now is 7.1 secs Computing kpt #: 45 total cpu time spent up to now is 7.3 secs Computing kpt #: 46 total cpu time spent up to now is 7.4 secs Computing kpt #: 47 total cpu time spent up to now is 7.5 secs Computing kpt #: 48 total cpu time spent up to now is 7.6 secs Computing kpt #: 49 total cpu time spent up to now is 7.8 secs Computing kpt #: 50 total cpu time spent up to now is 7.9 secs Computing kpt #: 51 total cpu time spent up to now is 8.0 secs Computing kpt #: 52 total cpu time spent up to now is 8.1 secs Computing kpt #: 53 total cpu time spent up to now is 8.2 secs Computing kpt #: 54 total cpu time spent up to now is 8.4 secs Computing kpt #: 55 total cpu time spent up to now is 8.5 secs Computing kpt #: 56 total cpu time spent up to now is 8.6 secs Computing kpt #: 57 total cpu time spent up to now is 8.7 secs Computing kpt #: 58 total cpu time spent up to now is 8.8 secs Computing kpt #: 59 total cpu time spent up to now is 9.0 secs Computing kpt #: 60 total cpu time spent up to now is 9.1 secs Computing kpt #: 61 total cpu time spent up to now is 9.2 secs Computing kpt #: 62 total cpu time spent up to now is 9.3 secs Computing kpt #: 63 total cpu time spent up to now is 9.5 secs Computing kpt #: 64 total cpu time spent up to now is 9.6 secs Computing kpt #: 65 total cpu time spent up to now is 9.7 secs Computing kpt #: 66 total cpu time spent up to now is 9.9 secs Computing kpt #: 67 total cpu time spent up to now is 10.0 secs Computing kpt #: 68 total cpu time spent up to now is 10.2 secs Computing kpt #: 69 total cpu time spent up to now is 10.3 secs Computing kpt #: 70 total cpu time spent up to now is 10.4 secs Computing kpt #: 71 total cpu time spent up to now is 10.6 secs Computing kpt #: 72 total cpu time spent up to now is 10.7 secs Computing kpt #: 73 total cpu time spent up to now is 10.9 secs Computing kpt #: 74 total cpu time spent up to now is 11.0 secs Computing kpt #: 75 total cpu time spent up to now is 11.2 secs Computing kpt #: 76 total cpu time spent up to now is 11.4 secs Computing kpt #: 77 total cpu time spent up to now is 11.5 secs Computing kpt #: 78 total cpu time spent up to now is 11.7 secs Computing kpt #: 79 total cpu time spent up to now is 11.8 secs Computing kpt #: 80 total cpu time spent up to now is 12.0 secs Computing kpt #: 81 total cpu time spent up to now is 12.1 secs Computing kpt #: 82 total cpu time spent up to now is 12.3 secs Computing kpt #: 83 total cpu time spent up to now is 12.4 secs Computing kpt #: 84 total cpu time spent up to now is 12.6 secs Computing kpt #: 85 total cpu time spent up to now is 12.7 secs Computing kpt #: 86 total cpu time spent up to now is 12.9 secs Computing kpt #: 87 total cpu time spent up to now is 13.0 secs Computing kpt #: 88 total cpu time spent up to now is 13.2 secs Computing kpt #: 89 total cpu time spent up to now is 13.4 secs Computing kpt #: 90 total cpu time spent up to now is 13.5 secs Computing kpt #: 91 total cpu time spent up to now is 13.7 secs Computing kpt #: 92 total cpu time spent up to now is 13.9 secs Computing kpt #: 93 total cpu time spent up to now is 14.0 secs Computing kpt #: 94 total cpu time spent up to now is 14.2 secs Computing kpt #: 95 total cpu time spent up to now is 14.3 secs Computing kpt #: 96 total cpu time spent up to now is 14.5 secs Computing kpt #: 97 total cpu time spent up to now is 14.6 secs Computing kpt #: 98 total cpu time spent up to now is 14.8 secs Computing kpt #: 99 total cpu time spent up to now is 14.9 secs Computing kpt #: 100 total cpu time spent up to now is 15.0 secs Computing kpt #: 101 total cpu time spent up to now is 15.2 secs Computing kpt #: 102 total cpu time spent up to now is 15.3 secs Computing kpt #: 103 total cpu time spent up to now is 15.5 secs Computing kpt #: 104 total cpu time spent up to now is 15.6 secs Computing kpt #: 105 total cpu time spent up to now is 15.7 secs Computing kpt #: 106 total cpu time spent up to now is 15.9 secs Computing kpt #: 107 total cpu time spent up to now is 16.0 secs Computing kpt #: 108 total cpu time spent up to now is 16.2 secs Computing kpt #: 109 total cpu time spent up to now is 16.3 secs Computing kpt #: 110 total cpu time spent up to now is 16.5 secs Computing kpt #: 111 total cpu time spent up to now is 16.7 secs Computing kpt #: 112 total cpu time spent up to now is 16.8 secs Computing kpt #: 113 total cpu time spent up to now is 17.0 secs Computing kpt #: 114 total cpu time spent up to now is 17.1 secs Computing kpt #: 115 total cpu time spent up to now is 17.3 secs Computing kpt #: 116 total cpu time spent up to now is 17.4 secs Computing kpt #: 117 total cpu time spent up to now is 17.5 secs Computing kpt #: 118 total cpu time spent up to now is 17.7 secs Computing kpt #: 119 total cpu time spent up to now is 17.8 secs Computing kpt #: 120 total cpu time spent up to now is 17.9 secs Computing kpt #: 121 total cpu time spent up to now is 18.1 secs Computing kpt #: 122 total cpu time spent up to now is 18.2 secs Computing kpt #: 123 total cpu time spent up to now is 18.3 secs Computing kpt #: 124 total cpu time spent up to now is 18.5 secs Computing kpt #: 125 total cpu time spent up to now is 18.6 secs Computing kpt #: 126 total cpu time spent up to now is 18.7 secs Computing kpt #: 127 total cpu time spent up to now is 18.8 secs Computing kpt #: 128 total cpu time spent up to now is 19.0 secs Computing kpt #: 129 total cpu time spent up to now is 19.1 secs Computing kpt #: 130 total cpu time spent up to now is 19.2 secs Computing kpt #: 131 total cpu time spent up to now is 19.3 secs Computing kpt #: 132 total cpu time spent up to now is 19.5 secs Computing kpt #: 133 total cpu time spent up to now is 19.6 secs Computing kpt #: 134 total cpu time spent up to now is 19.7 secs Computing kpt #: 135 total cpu time spent up to now is 19.8 secs Computing kpt #: 136 total cpu time spent up to now is 19.9 secs Computing kpt #: 137 total cpu time spent up to now is 20.1 secs Computing kpt #: 138 total cpu time spent up to now is 20.2 secs Computing kpt #: 139 total cpu time spent up to now is 20.3 secs Computing kpt #: 140 total cpu time spent up to now is 20.4 secs Computing kpt #: 141 total cpu time spent up to now is 20.6 secs Computing kpt #: 142 total cpu time spent up to now is 20.7 secs Computing kpt #: 143 total cpu time spent up to now is 20.8 secs Computing kpt #: 144 total cpu time spent up to now is 20.9 secs Computing kpt #: 145 total cpu time spent up to now is 21.1 secs Computing kpt #: 146 total cpu time spent up to now is 21.2 secs Computing kpt #: 147 total cpu time spent up to now is 21.3 secs Computing kpt #: 148 total cpu time spent up to now is 21.4 secs Computing kpt #: 149 total cpu time spent up to now is 21.6 secs Computing kpt #: 150 total cpu time spent up to now is 21.7 secs Computing kpt #: 151 total cpu time spent up to now is 21.8 secs Computing kpt #: 152 total cpu time spent up to now is 21.9 secs Computing kpt #: 153 total cpu time spent up to now is 22.1 secs Computing kpt #: 154 total cpu time spent up to now is 22.2 secs Computing kpt #: 155 total cpu time spent up to now is 22.3 secs Computing kpt #: 156 total cpu time spent up to now is 22.5 secs Computing kpt #: 157 total cpu time spent up to now is 22.6 secs Computing kpt #: 158 total cpu time spent up to now is 22.7 secs Computing kpt #: 159 total cpu time spent up to now is 22.9 secs Computing kpt #: 160 total cpu time spent up to now is 23.0 secs Computing kpt #: 161 total cpu time spent up to now is 23.2 secs Computing kpt #: 162 total cpu time spent up to now is 23.3 secs Computing kpt #: 163 total cpu time spent up to now is 23.5 secs Computing kpt #: 164 total cpu time spent up to now is 23.6 secs Computing kpt #: 165 total cpu time spent up to now is 23.7 secs Computing kpt #: 166 total cpu time spent up to now is 23.9 secs Computing kpt #: 167 total cpu time spent up to now is 24.0 secs Computing kpt #: 168 total cpu time spent up to now is 24.2 secs Computing kpt #: 169 total cpu time spent up to now is 24.3 secs Computing kpt #: 170 total cpu time spent up to now is 24.4 secs Computing kpt #: 171 total cpu time spent up to now is 24.6 secs Computing kpt #: 172 total cpu time spent up to now is 24.7 secs Computing kpt #: 173 total cpu time spent up to now is 24.8 secs Computing kpt #: 174 total cpu time spent up to now is 25.0 secs Computing kpt #: 175 total cpu time spent up to now is 25.1 secs Computing kpt #: 176 total cpu time spent up to now is 25.3 secs Computing kpt #: 177 total cpu time spent up to now is 25.4 secs Computing kpt #: 178 total cpu time spent up to now is 25.6 secs Computing kpt #: 179 total cpu time spent up to now is 25.7 secs Computing kpt #: 180 total cpu time spent up to now is 25.8 secs Computing kpt #: 181 total cpu time spent up to now is 26.0 secs Computing kpt #: 182 total cpu time spent up to now is 26.1 secs Computing kpt #: 183 total cpu time spent up to now is 26.2 secs Computing kpt #: 184 total cpu time spent up to now is 26.4 secs Computing kpt #: 185 total cpu time spent up to now is 26.5 secs Computing kpt #: 186 total cpu time spent up to now is 26.6 secs Computing kpt #: 187 total cpu time spent up to now is 26.8 secs Computing kpt #: 188 total cpu time spent up to now is 26.9 secs Computing kpt #: 189 total cpu time spent up to now is 27.0 secs Computing kpt #: 190 total cpu time spent up to now is 27.2 secs Computing kpt #: 191 total cpu time spent up to now is 27.3 secs Computing kpt #: 192 total cpu time spent up to now is 27.4 secs Computing kpt #: 193 total cpu time spent up to now is 27.5 secs Computing kpt #: 194 total cpu time spent up to now is 27.7 secs Computing kpt #: 195 total cpu time spent up to now is 27.9 secs Computing kpt #: 196 total cpu time spent up to now is 28.1 secs Computing kpt #: 197 total cpu time spent up to now is 28.3 secs Computing kpt #: 198 total cpu time spent up to now is 28.5 secs Computing kpt #: 199 total cpu time spent up to now is 28.7 secs Computing kpt #: 200 total cpu time spent up to now is 28.8 secs Computing kpt #: 201 total cpu time spent up to now is 29.0 secs Computing kpt #: 202 total cpu time spent up to now is 29.2 secs Computing kpt #: 203 total cpu time spent up to now is 29.4 secs Computing kpt #: 204 total cpu time spent up to now is 29.6 secs Computing kpt #: 205 total cpu time spent up to now is 29.7 secs Computing kpt #: 206 total cpu time spent up to now is 29.9 secs Computing kpt #: 207 total cpu time spent up to now is 30.1 secs Computing kpt #: 208 total cpu time spent up to now is 30.2 secs Computing kpt #: 209 total cpu time spent up to now is 30.4 secs Computing kpt #: 210 total cpu time spent up to now is 30.5 secs Computing kpt #: 211 total cpu time spent up to now is 30.7 secs Computing kpt #: 212 total cpu time spent up to now is 30.9 secs Computing kpt #: 213 total cpu time spent up to now is 31.0 secs Computing kpt #: 214 total cpu time spent up to now is 31.1 secs Computing kpt #: 215 total cpu time spent up to now is 31.3 secs Computing kpt #: 216 total cpu time spent up to now is 31.4 secs Computing kpt #: 217 total cpu time spent up to now is 31.5 secs Computing kpt #: 218 total cpu time spent up to now is 31.7 secs Computing kpt #: 219 total cpu time spent up to now is 31.8 secs Computing kpt #: 220 total cpu time spent up to now is 31.9 secs Computing kpt #: 221 total cpu time spent up to now is 32.0 secs Computing kpt #: 222 total cpu time spent up to now is 32.2 secs Computing kpt #: 223 total cpu time spent up to now is 32.3 secs Computing kpt #: 224 total cpu time spent up to now is 32.4 secs Computing kpt #: 225 total cpu time spent up to now is 32.6 secs Computing kpt #: 226 total cpu time spent up to now is 32.7 secs Computing kpt #: 227 total cpu time spent up to now is 32.8 secs Computing kpt #: 228 total cpu time spent up to now is 33.0 secs Computing kpt #: 229 total cpu time spent up to now is 33.1 secs Computing kpt #: 230 total cpu time spent up to now is 33.2 secs Computing kpt #: 231 total cpu time spent up to now is 33.4 secs Computing kpt #: 232 total cpu time spent up to now is 33.5 secs Computing kpt #: 233 total cpu time spent up to now is 33.6 secs Computing kpt #: 234 total cpu time spent up to now is 33.8 secs Computing kpt #: 235 total cpu time spent up to now is 33.9 secs Computing kpt #: 236 total cpu time spent up to now is 34.1 secs Computing kpt #: 237 total cpu time spent up to now is 34.2 secs Computing kpt #: 238 total cpu time spent up to now is 34.3 secs Computing kpt #: 239 total cpu time spent up to now is 34.5 secs Computing kpt #: 240 total cpu time spent up to now is 34.6 secs Computing kpt #: 241 total cpu time spent up to now is 34.7 secs Computing kpt #: 242 total cpu time spent up to now is 34.9 secs Computing kpt #: 243 total cpu time spent up to now is 35.0 secs Computing kpt #: 244 total cpu time spent up to now is 35.1 secs Computing kpt #: 245 total cpu time spent up to now is 35.3 secs Computing kpt #: 246 total cpu time spent up to now is 35.4 secs Computing kpt #: 247 total cpu time spent up to now is 35.5 secs Computing kpt #: 248 total cpu time spent up to now is 35.7 secs Computing kpt #: 249 total cpu time spent up to now is 35.8 secs Computing kpt #: 250 total cpu time spent up to now is 35.9 secs Computing kpt #: 251 total cpu time spent up to now is 36.1 secs Computing kpt #: 252 total cpu time spent up to now is 36.2 secs Computing kpt #: 253 total cpu time spent up to now is 36.3 secs Computing kpt #: 254 total cpu time spent up to now is 36.5 secs Computing kpt #: 255 total cpu time spent up to now is 36.6 secs Computing kpt #: 256 total cpu time spent up to now is 36.7 secs Computing kpt #: 257 total cpu time spent up to now is 36.8 secs Computing kpt #: 258 total cpu time spent up to now is 37.0 secs Computing kpt #: 259 total cpu time spent up to now is 37.1 secs Computing kpt #: 260 total cpu time spent up to now is 37.2 secs Computing kpt #: 261 total cpu time spent up to now is 37.4 secs Computing kpt #: 262 total cpu time spent up to now is 37.5 secs Computing kpt #: 263 total cpu time spent up to now is 37.7 secs Computing kpt #: 264 total cpu time spent up to now is 37.8 secs Computing kpt #: 265 total cpu time spent up to now is 37.9 secs Computing kpt #: 266 total cpu time spent up to now is 38.1 secs Computing kpt #: 267 total cpu time spent up to now is 38.2 secs Computing kpt #: 268 total cpu time spent up to now is 38.3 secs Computing kpt #: 269 total cpu time spent up to now is 38.5 secs Computing kpt #: 270 total cpu time spent up to now is 38.6 secs Computing kpt #: 271 total cpu time spent up to now is 38.8 secs Computing kpt #: 272 total cpu time spent up to now is 38.9 secs Computing kpt #: 273 total cpu time spent up to now is 39.1 secs Computing kpt #: 274 total cpu time spent up to now is 39.2 secs Computing kpt #: 275 total cpu time spent up to now is 39.3 secs Computing kpt #: 276 total cpu time spent up to now is 39.5 secs Computing kpt #: 277 total cpu time spent up to now is 39.6 secs Computing kpt #: 278 total cpu time spent up to now is 39.8 secs Computing kpt #: 279 total cpu time spent up to now is 39.9 secs Computing kpt #: 280 total cpu time spent up to now is 40.1 secs Computing kpt #: 281 total cpu time spent up to now is 40.2 secs Computing kpt #: 282 total cpu time spent up to now is 40.3 secs Computing kpt #: 283 total cpu time spent up to now is 40.5 secs Computing kpt #: 284 total cpu time spent up to now is 40.6 secs Computing kpt #: 285 total cpu time spent up to now is 40.8 secs Computing kpt #: 286 total cpu time spent up to now is 40.9 secs Computing kpt #: 287 total cpu time spent up to now is 41.1 secs Computing kpt #: 288 total cpu time spent up to now is 41.2 secs Computing kpt #: 289 total cpu time spent up to now is 41.4 secs Computing kpt #: 290 total cpu time spent up to now is 41.5 secs Computing kpt #: 291 total cpu time spent up to now is 41.7 secs Computing kpt #: 292 total cpu time spent up to now is 41.8 secs Computing kpt #: 293 total cpu time spent up to now is 42.0 secs Computing kpt #: 294 total cpu time spent up to now is 42.1 secs Computing kpt #: 295 total cpu time spent up to now is 42.3 secs Computing kpt #: 296 total cpu time spent up to now is 42.4 secs Computing kpt #: 297 total cpu time spent up to now is 42.6 secs Computing kpt #: 298 total cpu time spent up to now is 42.8 secs Computing kpt #: 299 total cpu time spent up to now is 42.9 secs Computing kpt #: 300 total cpu time spent up to now is 43.1 secs Computing kpt #: 301 total cpu time spent up to now is 43.3 secs Computing kpt #: 302 total cpu time spent up to now is 43.4 secs Computing kpt #: 303 total cpu time spent up to now is 43.6 secs Computing kpt #: 304 total cpu time spent up to now is 43.8 secs Computing kpt #: 305 total cpu time spent up to now is 43.9 secs Computing kpt #: 306 total cpu time spent up to now is 44.1 secs Computing kpt #: 307 total cpu time spent up to now is 44.3 secs Computing kpt #: 308 total cpu time spent up to now is 44.4 secs Computing kpt #: 309 total cpu time spent up to now is 44.6 secs Computing kpt #: 310 total cpu time spent up to now is 44.7 secs Computing kpt #: 311 total cpu time spent up to now is 44.9 secs Computing kpt #: 312 total cpu time spent up to now is 45.0 secs Computing kpt #: 313 total cpu time spent up to now is 45.2 secs Computing kpt #: 314 total cpu time spent up to now is 45.3 secs Computing kpt #: 315 total cpu time spent up to now is 45.4 secs Computing kpt #: 316 total cpu time spent up to now is 45.6 secs Computing kpt #: 317 total cpu time spent up to now is 45.7 secs Computing kpt #: 318 total cpu time spent up to now is 45.8 secs Computing kpt #: 319 total cpu time spent up to now is 45.9 secs Computing kpt #: 320 total cpu time spent up to now is 46.0 secs Computing kpt #: 321 total cpu time spent up to now is 46.2 secs Computing kpt #: 322 total cpu time spent up to now is 46.3 secs Computing kpt #: 323 total cpu time spent up to now is 46.4 secs Computing kpt #: 324 total cpu time spent up to now is 46.5 secs Computing kpt #: 325 total cpu time spent up to now is 46.6 secs Computing kpt #: 326 total cpu time spent up to now is 46.8 secs Computing kpt #: 327 total cpu time spent up to now is 46.9 secs Computing kpt #: 328 total cpu time spent up to now is 47.0 secs Computing kpt #: 329 total cpu time spent up to now is 47.2 secs Computing kpt #: 330 total cpu time spent up to now is 47.3 secs Computing kpt #: 331 total cpu time spent up to now is 47.4 secs Computing kpt #: 332 total cpu time spent up to now is 47.6 secs Computing kpt #: 333 total cpu time spent up to now is 47.7 secs Computing kpt #: 334 total cpu time spent up to now is 47.9 secs Computing kpt #: 335 total cpu time spent up to now is 48.2 secs Computing kpt #: 336 total cpu time spent up to now is 48.5 secs Computing kpt #: 337 total cpu time spent up to now is 48.7 secs Computing kpt #: 338 total cpu time spent up to now is 48.8 secs Computing kpt #: 339 total cpu time spent up to now is 49.0 secs Computing kpt #: 340 total cpu time spent up to now is 49.1 secs Computing kpt #: 341 total cpu time spent up to now is 49.3 secs Computing kpt #: 342 total cpu time spent up to now is 49.4 secs Computing kpt #: 343 total cpu time spent up to now is 49.5 secs Computing kpt #: 344 total cpu time spent up to now is 49.7 secs Computing kpt #: 345 total cpu time spent up to now is 49.8 secs Computing kpt #: 346 total cpu time spent up to now is 49.9 secs Computing kpt #: 347 total cpu time spent up to now is 50.1 secs Computing kpt #: 348 total cpu time spent up to now is 50.2 secs Computing kpt #: 349 total cpu time spent up to now is 50.3 secs Computing kpt #: 350 total cpu time spent up to now is 50.4 secs Computing kpt #: 351 total cpu time spent up to now is 50.6 secs Computing kpt #: 352 total cpu time spent up to now is 50.7 secs Computing kpt #: 353 total cpu time spent up to now is 50.8 secs Computing kpt #: 354 total cpu time spent up to now is 50.9 secs Computing kpt #: 355 total cpu time spent up to now is 51.1 secs Computing kpt #: 356 total cpu time spent up to now is 51.2 secs Computing kpt #: 357 total cpu time spent up to now is 51.3 secs Computing kpt #: 358 total cpu time spent up to now is 51.5 secs Computing kpt #: 359 total cpu time spent up to now is 51.6 secs Computing kpt #: 360 total cpu time spent up to now is 51.7 secs Computing kpt #: 361 total cpu time spent up to now is 51.9 secs Computing kpt #: 362 total cpu time spent up to now is 52.0 secs Computing kpt #: 363 total cpu time spent up to now is 52.1 secs Computing kpt #: 364 total cpu time spent up to now is 52.3 secs Computing kpt #: 365 total cpu time spent up to now is 52.4 secs Computing kpt #: 366 total cpu time spent up to now is 52.6 secs Computing kpt #: 367 total cpu time spent up to now is 52.7 secs Computing kpt #: 368 total cpu time spent up to now is 52.9 secs Computing kpt #: 369 total cpu time spent up to now is 53.0 secs Computing kpt #: 370 total cpu time spent up to now is 53.1 secs Computing kpt #: 371 total cpu time spent up to now is 53.3 secs Computing kpt #: 372 total cpu time spent up to now is 53.4 secs Computing kpt #: 373 total cpu time spent up to now is 53.6 secs Computing kpt #: 374 total cpu time spent up to now is 53.7 secs Computing kpt #: 375 total cpu time spent up to now is 53.8 secs Computing kpt #: 376 total cpu time spent up to now is 53.9 secs ethr = 3.57E-08, avg # of iterations = 12.3 total cpu time spent up to now is 53.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -51.8809 -51.8809 -42.1381 -42.1381 -24.4503 -24.4503 -21.2683 -21.2683 -21.2683 -21.2683 -16.3728 -16.3728 -8.5854 -8.5854 -8.5854 -8.5854 11.8301 11.8301 14.6156 14.6156 14.6156 14.6156 17.8716 17.8716 17.8716 17.8716 18.0882 18.0882 21.7700 21.7700 21.7700 21.7700 25.2552 25.2552 25.2552 25.2552 k = 0.0000 0.0102-0.0000 ( 2777 PWs) bands (ev): -51.8808 -51.8808 -42.1381 -42.1381 -24.4503 -24.4503 -21.2683 -21.2683 -21.2683 -21.2683 -16.3729 -16.3729 -8.5858 -8.5858 -8.5854 -8.5854 11.8325 11.8325 14.6166 14.6166 14.6173 14.6173 17.8713 17.8713 17.8719 17.8719 18.0882 18.0882 21.7672 21.7672 21.7709 21.7709 25.2397 25.2397 25.2506 25.2506 k = 0.0000 0.0204-0.0000 ( 2769 PWs) bands (ev): -51.8808 -51.8808 -42.1381 -42.1381 -24.4503 -24.4503 -21.2685 -21.2685 -21.2682 -21.2682 -16.3731 -16.3731 -8.5869 -8.5869 -8.5854 -8.5854 11.8395 11.8395 14.6198 14.6198 14.6225 14.6225 17.8702 17.8702 17.8728 17.8728 18.0882 18.0882 21.7590 21.7590 21.7736 21.7736 25.1948 25.1948 25.2363 25.2363 k = 0.0000 0.0306-0.0000 ( 2757 PWs) bands (ev): -51.8808 -51.8808 -42.1380 -42.1380 -24.4503 -24.4503 -21.2687 -21.2687 -21.2681 -21.2681 -16.3735 -16.3735 -8.5887 -8.5887 -8.5853 -8.5853 11.8511 11.8511 14.6250 14.6250 14.6312 14.6312 17.8683 17.8683 17.8743 17.8743 18.0882 18.0882 21.7452 21.7452 21.7781 21.7781 25.1245 25.1245 25.2111 25.2111 k = 0.0000 0.0408-0.0000 ( 2757 PWs) bands (ev): -51.8807 -51.8807 -42.1379 -42.1379 -24.4505 -24.4505 -21.2691 -21.2691 -21.2680 -21.2680 -16.3740 -16.3740 -8.5912 -8.5912 -8.5852 -8.5852 11.8674 11.8674 14.6324 14.6324 14.6434 14.6434 17.8658 17.8658 17.8763 17.8763 18.0884 18.0884 21.7261 21.7261 21.7843 21.7843 25.0338 25.0338 25.1732 25.1732 k = 0.0000 0.0510-0.0000 ( 2757 PWs) bands (ev): -51.8807 -51.8807 -42.1377 -42.1377 -24.4506 -24.4506 -21.2697 -21.2697 -21.2678 -21.2678 -16.3748 -16.3748 -8.5945 -8.5945 -8.5852 -8.5852 11.8882 11.8882 14.6419 14.6419 14.6589 14.6589 17.8625 17.8625 17.8787 17.8787 18.0887 18.0887 21.7016 21.7016 21.7923 21.7923 24.9278 24.9278 25.1202 25.1202 k = 0.0000 0.0612-0.0000 ( 2757 PWs) bands (ev): -51.8806 -51.8806 -42.1376 -42.1376 -24.4507 -24.4507 -21.2703 -21.2703 -21.2676 -21.2676 -16.3756 -16.3756 -8.5984 -8.5984 -8.5851 -8.5851 11.9137 11.9137 14.6534 14.6534 14.6777 14.6777 17.8586 17.8586 17.8815 17.8815 18.0892 18.0892 21.6720 21.6720 21.8018 21.8018 24.8104 24.8104 25.0509 25.0509 k = 0.0000 0.0714-0.0000 ( 2765 PWs) bands (ev): -51.8805 -51.8805 -42.1374 -42.1374 -24.4510 -24.4510 -21.2712 -21.2712 -21.2675 -21.2675 -16.3767 -16.3767 -8.6030 -8.6030 -8.5850 -8.5850 11.9436 11.9436 14.6670 14.6670 14.6998 14.6998 17.8541 17.8541 17.8845 17.8845 18.0902 18.0902 21.6372 21.6372 21.8129 21.8129 24.6851 24.6851 24.9655 24.9655 k = 0.0000 0.0816-0.0000 ( 2757 PWs) bands (ev): -51.8804 -51.8804 -42.1372 -42.1372 -24.4512 -24.4512 -21.2720 -21.2720 -21.2672 -21.2672 -16.3779 -16.3779 -8.6082 -8.6082 -8.5848 -8.5848 11.9781 11.9781 14.6827 14.6827 14.7252 14.7252 17.8490 17.8490 17.8877 17.8877 18.0917 18.0917 21.5975 21.5975 21.8253 21.8253 24.5544 24.5544 24.8663 24.8663 k = 0.0000 0.0918-0.0000 ( 2745 PWs) bands (ev): -51.8803 -51.8803 -42.1370 -42.1370 -24.4514 -24.4514 -21.2729 -21.2729 -21.2670 -21.2670 -16.3791 -16.3791 -8.6141 -8.6141 -8.5847 -8.5847 12.0169 12.0169 14.7004 14.7004 14.7535 14.7535 17.8432 17.8432 17.8909 17.8909 18.0939 18.0939 21.5529 21.5529 21.8390 21.8390 24.4202 24.4202 24.7561 24.7561 k = 0.0000 0.1020-0.0000 ( 2745 PWs) bands (ev): -51.8802 -51.8802 -42.1367 -42.1367 -24.4516 -24.4516 -21.2740 -21.2740 -21.2667 -21.2667 -16.3806 -16.3806 -8.6205 -8.6205 -8.5845 -8.5845 12.0601 12.0601 14.7202 14.7202 14.7849 14.7849 17.8370 17.8370 17.8939 17.8939 18.0969 18.0969 21.5038 21.5038 21.8538 21.8538 24.2838 24.2838 24.6377 24.6377 k = 0.0000 0.1122-0.0000 ( 2753 PWs) bands (ev): -51.8800 -51.8800 -42.1365 -42.1365 -24.4520 -24.4520 -21.2752 -21.2752 -21.2664 -21.2664 -16.3822 -16.3822 -8.6276 -8.6276 -8.5843 -8.5843 12.1077 12.1077 14.7420 14.7420 14.8192 14.8192 17.8303 17.8303 17.8965 17.8965 18.1009 18.1009 21.4502 21.4502 21.8695 21.8695 24.1464 24.1464 24.5137 24.5137 k = 0.0000 0.1224-0.0000 ( 2753 PWs) bands (ev): -51.8799 -51.8799 -42.1362 -42.1362 -24.4523 -24.4523 -21.2765 -21.2765 -21.2661 -21.2661 -16.3839 -16.3839 -8.6351 -8.6351 -8.5841 -8.5841 12.1594 12.1594 14.7658 14.7658 14.8561 14.8561 17.8231 17.8231 17.8988 17.8988 18.1061 18.1061 21.3924 21.3924 21.8858 21.8858 24.0087 24.0087 24.3858 24.3858 k = 0.0000 0.1327-0.0000 ( 2741 PWs) bands (ev): -51.8797 -51.8797 -42.1358 -42.1358 -24.4526 -24.4526 -21.2778 -21.2778 -21.2657 -21.2657 -16.3857 -16.3857 -8.6432 -8.6432 -8.5839 -8.5839 12.2152 12.2152 14.7915 14.7915 14.8957 14.8957 17.8156 17.8156 17.9005 17.9005 18.1127 18.1127 21.3305 21.3305 21.9026 21.9026 23.8715 23.8715 24.2555 24.2555 k = 0.0000 0.1429-0.0000 ( 2737 PWs) bands (ev): -51.8796 -51.8796 -42.1355 -42.1355 -24.4529 -24.4529 -21.2792 -21.2792 -21.2653 -21.2653 -16.3877 -16.3877 -8.6517 -8.6517 -8.5837 -8.5837 12.2751 12.2751 14.8192 14.8192 14.9377 14.9377 17.8077 17.8077 17.9015 17.9015 18.1205 18.1205 21.2649 21.2649 21.9194 21.9194 23.7353 23.7353 24.1239 24.1239 k = 0.0000 0.1531-0.0000 ( 2745 PWs) bands (ev): -51.8794 -51.8794 -42.1351 -42.1351 -24.4533 -24.4533 -21.2808 -21.2808 -21.2649 -21.2649 -16.3897 -16.3897 -8.6607 -8.6607 -8.5834 -8.5834 12.3389 12.3389 14.8489 14.8489 14.9819 14.9819 17.7996 17.7996 17.9019 17.9019 18.1299 18.1299 21.1957 21.1957 21.9360 21.9360 23.6005 23.6005 23.9920 23.9920 k = 0.0000 0.1633-0.0000 ( 2737 PWs) bands (ev): -51.8792 -51.8792 -42.1348 -42.1348 -24.4537 -24.4537 -21.2824 -21.2824 -21.2645 -21.2645 -16.3919 -16.3919 -8.6700 -8.6700 -8.5832 -8.5832 12.4066 12.4066 14.8804 14.8804 15.0281 15.0281 17.7912 17.7912 17.9016 17.9016 18.1406 18.1406 21.1232 21.1232 21.9519 21.9519 23.4674 23.4674 23.8603 23.8603 k = 0.0000 0.1735-0.0000 ( 2737 PWs) bands (ev): -51.8790 -51.8790 -42.1344 -42.1344 -24.4541 -24.4541 -21.2840 -21.2840 -21.2641 -21.2641 -16.3941 -16.3941 -8.6797 -8.6797 -8.5829 -8.5829 12.4780 12.4780 14.9138 14.9138 15.0762 15.0762 17.7827 17.7827 17.9008 17.9008 18.1527 18.1527 21.0476 21.0476 21.9667 21.9667 23.3363 23.3363 23.7294 23.7294 k = 0.0000 0.1837-0.0000 ( 2745 PWs) bands (ev): -51.8788 -51.8788 -42.1340 -42.1340 -24.4546 -24.4546 -21.2857 -21.2857 -21.2636 -21.2636 -16.3964 -16.3964 -8.6896 -8.6896 -8.5827 -8.5827 12.5530 12.5530 14.9490 14.9490 15.1259 15.1259 17.7740 17.7740 17.8994 17.8994 18.1662 18.1662 20.9692 20.9692 21.9799 21.9799 23.2074 23.2074 23.5998 23.5998 k = 0.0000 0.1939-0.0000 ( 2741 PWs) bands (ev): -51.8786 -51.8786 -42.1336 -42.1336 -24.4550 -24.4550 -21.2875 -21.2875 -21.2632 -21.2632 -16.3988 -16.3988 -8.6998 -8.6998 -8.5824 -8.5824 12.6314 12.6314 14.9860 14.9860 15.1769 15.1769 17.7653 17.7653 17.8975 17.8975 18.1808 18.1808 20.8881 20.8881 21.9910 21.9910 23.0811 23.0811 23.4719 23.4719 k = 0.0000 0.2041-0.0000 ( 2729 PWs) bands (ev): -51.8784 -51.8784 -42.1332 -42.1332 -24.4554 -24.4554 -21.2892 -21.2892 -21.2627 -21.2627 -16.4012 -16.4012 -8.7103 -8.7103 -8.5821 -8.5821 12.7132 12.7132 15.0248 15.0248 15.2290 15.2290 17.7566 17.7566 17.8953 17.8953 18.1966 18.1966 20.8048 20.8048 21.9994 21.9994 22.9574 22.9574 23.3460 23.3460 k = 0.0000 0.2143-0.0000 ( 2729 PWs) bands (ev): -51.8782 -51.8782 -42.1327 -42.1327 -24.4559 -24.4559 -21.2910 -21.2910 -21.2622 -21.2622 -16.4037 -16.4037 -8.7209 -8.7209 -8.5818 -8.5818 12.7982 12.7982 15.0652 15.0652 15.2820 15.2820 17.7480 17.7480 17.8928 17.8928 18.2134 18.2134 20.7193 20.7193 22.0045 22.0045 22.8365 22.8365 23.2223 23.2223 k = 0.0000 0.2245-0.0000 ( 2737 PWs) bands (ev): -51.8780 -51.8780 -42.1323 -42.1323 -24.4564 -24.4564 -21.2929 -21.2929 -21.2618 -21.2618 -16.4063 -16.4063 -8.7316 -8.7316 -8.5816 -8.5816 12.8863 12.8863 15.1072 15.1072 15.3355 15.3355 17.7394 17.7394 17.8901 17.8901 18.2311 18.2311 20.6320 20.6320 22.0055 22.0055 22.7186 22.7186 23.1011 23.1011 k = 0.0000 0.2347-0.0000 ( 2737 PWs) bands (ev): -51.8777 -51.8777 -42.1319 -42.1319 -24.4569 -24.4569 -21.2948 -21.2948 -21.2613 -21.2613 -16.4088 -16.4088 -8.7424 -8.7424 -8.5813 -8.5813 12.9773 12.9773 15.1508 15.1508 15.3892 15.3892 17.7310 17.7310 17.8874 17.8874 18.2495 18.2495 20.5431 20.5431 22.0019 22.0019 22.6039 22.6039 22.9826 22.9826 k = 0.0000 0.2449-0.0000 ( 2737 PWs) bands (ev): -51.8775 -51.8775 -42.1314 -42.1314 -24.4574 -24.4574 -21.2966 -21.2966 -21.2608 -21.2608 -16.4114 -16.4114 -8.7532 -8.7532 -8.5810 -8.5810 13.0710 13.0710 15.1959 15.1959 15.4428 15.4428 17.7227 17.7227 17.8846 17.8846 18.2686 18.2686 20.4529 20.4529 21.9931 21.9931 22.4925 22.4925 22.8670 22.8670 k = 0.0000 0.2551-0.0000 ( 2737 PWs) bands (ev): -51.8773 -51.8773 -42.1310 -42.1310 -24.4579 -24.4579 -21.2985 -21.2985 -21.2603 -21.2603 -16.4140 -16.4140 -8.7640 -8.7640 -8.5807 -8.5807 13.1673 13.1673 15.2424 15.2424 15.4960 15.4960 17.7147 17.7147 17.8819 17.8819 18.2883 18.2883 20.3616 20.3616 21.9784 21.9784 22.3844 22.3844 22.7545 22.7545 k = 0.0000 0.2653-0.0000 ( 2737 PWs) bands (ev): -51.8771 -51.8771 -42.1305 -42.1305 -24.4584 -24.4584 -21.3004 -21.3004 -21.2598 -21.2598 -16.4166 -16.4166 -8.7747 -8.7747 -8.5804 -8.5804 13.2660 13.2660 15.2902 15.2902 15.5483 15.5483 17.7069 17.7069 17.8794 17.8794 18.3083 18.3083 20.2695 20.2695 21.9574 21.9574 22.2800 22.2800 22.6453 22.6453 k = 0.0000 0.2755-0.0000 ( 2733 PWs) bands (ev): -51.8769 -51.8769 -42.1301 -42.1301 -24.4588 -24.4588 -21.3022 -21.3022 -21.2593 -21.2593 -16.4192 -16.4192 -8.7854 -8.7854 -8.5801 -8.5801 13.3669 13.3669 15.3392 15.3392 15.5995 15.5995 17.6995 17.6995 17.8770 17.8770 18.3287 18.3287 20.1769 20.1769 21.9297 21.9297 22.1794 22.1794 22.5394 22.5394 k = 0.0000 0.2857-0.0000 ( 2741 PWs) bands (ev): -51.8766 -51.8766 -42.1297 -42.1297 -24.4594 -24.4594 -21.3041 -21.3041 -21.2589 -21.2589 -16.4217 -16.4217 -8.7959 -8.7959 -8.5798 -8.5798 13.4698 13.4698 15.3894 15.3894 15.6490 15.6490 17.6923 17.6923 17.8748 17.8748 18.3494 18.3494 20.0840 20.0840 21.8951 21.8951 22.0828 22.0828 22.4371 22.4371 k = 0.0000 0.2959-0.0000 ( 2741 PWs) bands (ev): -51.8764 -51.8764 -42.1293 -42.1293 -24.4598 -24.4598 -21.3059 -21.3059 -21.2584 -21.2584 -16.4243 -16.4243 -8.8062 -8.8062 -8.5796 -8.5796 13.5744 13.5744 15.4405 15.4405 15.6966 15.6966 17.6855 17.6855 17.8729 17.8729 18.3701 18.3701 19.9911 19.9911 21.8532 21.8532 21.9907 21.9907 22.3384 22.3384 k = 0.0000 0.3061-0.0000 ( 2753 PWs) bands (ev): -51.8762 -51.8762 -42.1289 -42.1289 -24.4604 -24.4604 -21.3077 -21.3077 -21.2580 -21.2580 -16.4267 -16.4267 -8.8163 -8.8163 -8.5793 -8.5793 13.6806 13.6806 15.4924 15.4924 15.7417 15.7417 17.6791 17.6791 17.8713 17.8713 18.3908 18.3908 19.8985 19.8985 21.8038 21.8038 21.9038 21.9038 22.2435 22.2435 k = 0.0000 0.3163-0.0000 ( 2753 PWs) bands (ev): -51.8760 -51.8760 -42.1284 -42.1284 -24.4608 -24.4608 -21.3094 -21.3094 -21.2576 -21.2576 -16.4292 -16.4292 -8.8261 -8.8261 -8.5790 -8.5790 13.7882 13.7882 15.5451 15.5451 15.7839 15.7839 17.6731 17.6731 17.8700 17.8700 18.4113 18.4113 19.8064 19.8064 21.7467 21.7467 21.8227 21.8227 22.1526 22.1526 k = 0.0000 0.3265-0.0000 ( 2754 PWs) bands (ev): -51.8758 -51.8758 -42.1280 -42.1280 -24.4613 -24.4613 -21.3111 -21.3111 -21.2571 -21.2571 -16.4315 -16.4315 -8.8356 -8.8356 -8.5788 -8.5788 13.8967 13.8967 15.5982 15.5982 15.8229 15.8229 17.6675 17.6675 17.8690 17.8690 18.4316 18.4316 19.7153 19.7153 21.6825 21.6825 21.7479 21.7479 22.0657 22.0657 k = 0.0000 0.3367-0.0000 ( 2754 PWs) bands (ev): -51.8756 -51.8756 -42.1277 -42.1277 -24.4617 -24.4617 -21.3127 -21.3127 -21.2567 -21.2567 -16.4338 -16.4338 -8.8448 -8.8448 -8.5785 -8.5785 14.0061 14.0061 15.6516 15.6516 15.8581 15.8581 17.6623 17.6623 17.8682 17.8682 18.4516 18.4516 19.6253 19.6253 21.6136 21.6136 21.6776 21.6776 21.9829 21.9829 k = 0.0000 0.3469-0.0000 ( 2754 PWs) bands (ev): -51.8754 -51.8754 -42.1273 -42.1273 -24.4621 -24.4621 -21.3142 -21.3142 -21.2563 -21.2563 -16.4360 -16.4360 -8.8536 -8.8536 -8.5783 -8.5783 14.1160 14.1160 15.7051 15.7051 15.8891 15.8891 17.6575 17.6575 17.8678 17.8678 18.4711 18.4711 19.5369 19.5369 21.5433 21.5433 21.6098 21.6098 21.9045 21.9045 k = 0.0000 0.3571-0.0000 ( 2750 PWs) bands (ev): -51.8753 -51.8753 -42.1269 -42.1269 -24.4625 -24.4625 -21.3157 -21.3157 -21.2559 -21.2559 -16.4381 -16.4381 -8.8619 -8.8619 -8.5781 -8.5781 14.2261 14.2261 15.7583 15.7583 15.9155 15.9155 17.6531 17.6531 17.8677 17.8677 18.4901 18.4901 19.4504 19.4504 21.4738 21.4738 21.5433 21.5433 21.8304 21.8304 k = 0.0000 0.3673-0.0000 ( 2758 PWs) bands (ev): -51.8751 -51.8751 -42.1266 -42.1266 -24.4629 -24.4629 -21.3171 -21.3171 -21.2555 -21.2555 -16.4401 -16.4401 -8.8699 -8.8699 -8.5778 -8.5778 14.3360 14.3360 15.8111 15.8111 15.9368 15.9368 17.6491 17.6491 17.8679 17.8679 18.5083 18.5083 19.3662 19.3662 21.4061 21.4061 21.4783 21.4783 21.7609 21.7609 k = 0.0000 0.3776-0.0000 ( 2758 PWs) bands (ev): -51.8749 -51.8749 -42.1263 -42.1263 -24.4633 -24.4633 -21.3185 -21.3185 -21.2552 -21.2552 -16.4420 -16.4420 -8.8774 -8.8774 -8.5776 -8.5776 14.4454 14.4454 15.8630 15.8630 15.9527 15.9527 17.6456 17.6456 17.8683 17.8683 18.5258 18.5258 19.2848 19.2848 21.3406 21.3406 21.4155 21.4155 21.6960 21.6960 k = 0.0000 0.3878-0.0000 ( 2754 PWs) bands (ev): -51.8748 -51.8748 -42.1260 -42.1260 -24.4636 -24.4636 -21.3197 -21.3197 -21.2548 -21.2548 -16.4437 -16.4437 -8.8843 -8.8843 -8.5774 -8.5774 14.5539 14.5539 15.9137 15.9137 15.9627 15.9627 17.6424 17.6424 17.8689 17.8689 18.5424 18.5424 19.2065 19.2065 21.2773 21.2773 21.3561 21.3561 21.6358 21.6358 k = 0.0000 0.3980-0.0000 ( 2754 PWs) bands (ev): -51.8746 -51.8746 -42.1257 -42.1257 -24.4639 -24.4639 -21.3208 -21.3208 -21.2545 -21.2545 -16.4454 -16.4454 -8.8908 -8.8908 -8.5773 -8.5773 14.6612 14.6612 15.9628 15.9628 15.9666 15.9666 17.6396 17.6396 17.8697 17.8697 18.5580 18.5580 19.1318 19.1318 21.2165 21.2165 21.3009 21.3009 21.5804 21.5804 k = 0.0000 0.4082-0.0000 ( 2754 PWs) bands (ev): -51.8745 -51.8745 -42.1255 -42.1255 -24.4642 -24.4642 -21.3219 -21.3219 -21.2543 -21.2543 -16.4469 -16.4469 -8.8967 -8.8967 -8.5771 -8.5771 14.7666 14.7666 15.9641 15.9641 16.0097 16.0097 17.6372 17.6372 17.8707 17.8707 18.5725 18.5725 19.0614 19.0614 21.1585 21.1585 21.2506 21.2506 21.5300 21.5300 k = 0.0000 0.4184-0.0000 ( 2754 PWs) bands (ev): -51.8744 -51.8744 -42.1252 -42.1252 -24.4644 -24.4644 -21.3228 -21.3228 -21.2540 -21.2540 -16.4482 -16.4482 -8.9021 -8.9021 -8.5769 -8.5769 14.8699 14.8699 15.9550 15.9550 16.0541 16.0541 17.6352 17.6352 17.8718 17.8718 18.5859 18.5859 18.9957 18.9957 21.1039 21.1039 21.2056 21.2056 21.4846 21.4846 k = 0.0000 0.4286-0.0000 ( 2750 PWs) bands (ev): -51.8743 -51.8743 -42.1250 -42.1250 -24.4646 -24.4646 -21.3236 -21.3236 -21.2538 -21.2538 -16.4495 -16.4495 -8.9068 -8.9068 -8.5768 -8.5768 14.9703 14.9703 15.9392 15.9392 16.0952 16.0952 17.6334 17.6334 17.8729 17.8729 18.5980 18.5980 18.9354 18.9354 21.0535 21.0535 21.1660 21.1660 21.4443 21.4443 k = 0.0000 0.4388-0.0000 ( 2746 PWs) bands (ev): -51.8742 -51.8742 -42.1248 -42.1248 -24.4648 -24.4648 -21.3244 -21.3244 -21.2536 -21.2536 -16.4505 -16.4505 -8.9110 -8.9110 -8.5767 -8.5767 15.0673 15.0673 15.9169 15.9169 16.1325 16.1325 17.6320 17.6320 17.8741 17.8741 18.6089 18.6089 18.8811 18.8811 21.0082 21.0082 21.1317 21.1317 21.4093 21.4093 k = 0.0000 0.4490-0.0000 ( 2746 PWs) bands (ev): -51.8741 -51.8741 -42.1247 -42.1247 -24.4650 -24.4650 -21.3250 -21.3250 -21.2534 -21.2534 -16.4514 -16.4514 -8.9145 -8.9145 -8.5766 -8.5766 15.1599 15.1599 15.8883 15.8883 16.1655 16.1655 17.6308 17.6308 17.8752 17.8752 18.6186 18.6186 18.8333 18.8333 20.9685 20.9685 21.1028 21.1028 21.3794 21.3794 k = 0.0000 0.4592-0.0000 ( 2746 PWs) bands (ev): -51.8741 -51.8741 -42.1246 -42.1246 -24.4651 -24.4651 -21.3255 -21.3255 -21.2533 -21.2533 -16.4522 -16.4522 -8.9175 -8.9175 -8.5765 -8.5765 15.2472 15.2472 15.8540 15.8540 16.1935 16.1935 17.6299 17.6299 17.8762 17.8762 18.6270 18.6270 18.7926 18.7926 20.9352 20.9352 21.0792 21.0792 21.3549 21.3549 k = 0.0000 0.4694-0.0000 ( 2746 PWs) bands (ev): -51.8740 -51.8740 -42.1245 -42.1245 -24.4653 -24.4653 -21.3259 -21.3259 -21.2532 -21.2532 -16.4528 -16.4528 -8.9197 -8.9197 -8.5764 -8.5764 15.3274 15.3274 15.8155 15.8155 16.2160 16.2160 17.6292 17.6292 17.8771 17.8771 18.6341 18.6341 18.7597 18.7597 20.9088 20.9088 21.0608 21.0608 21.3358 21.3358 k = 0.0000 0.4796-0.0000 ( 2746 PWs) bands (ev): -51.8740 -51.8740 -42.1244 -42.1244 -24.4653 -24.4653 -21.3262 -21.3262 -21.2531 -21.2531 -16.4532 -16.4532 -8.9214 -8.9214 -8.5764 -8.5764 15.3971 15.3971 15.7758 15.7758 16.2324 16.2324 17.6287 17.6287 17.8778 17.8778 18.6400 18.6400 18.7350 18.7350 20.8896 20.8896 21.0477 21.0477 21.3222 21.3222 k = 0.0000 0.4898-0.0000 ( 2746 PWs) bands (ev): -51.8740 -51.8740 -42.1244 -42.1244 -24.4654 -24.4654 -21.3264 -21.3264 -21.2530 -21.2530 -16.4534 -16.4534 -8.9224 -8.9224 -8.5764 -8.5764 15.4491 15.4491 15.7418 15.7418 16.2424 16.2424 17.6284 17.6284 17.8782 17.8782 18.6442 18.6442 18.7194 18.7194 20.8780 20.8780 21.0398 21.0398 21.3139 21.3139 k = 0.0000 0.5000-0.0000 ( 2762 PWs) bands (ev): -51.8740 -51.8740 -42.1244 -42.1244 -24.4655 -24.4655 -21.3265 -21.3265 -21.2531 -21.2531 -16.4536 -16.4536 -8.9227 -8.9227 -8.5764 -8.5764 15.4698 15.4698 15.7272 15.7272 16.2458 16.2458 17.6283 17.6283 17.8784 17.8784 18.6457 18.6457 18.7140 18.7140 20.8741 20.8741 21.0372 21.0372 21.3112 21.3112 k = 0.0000 0.5000-0.0000 ( 2762 PWs) bands (ev): -51.8740 -51.8740 -42.1244 -42.1244 -24.4655 -24.4655 -21.3265 -21.3265 -21.2531 -21.2531 -16.4536 -16.4536 -8.9227 -8.9227 -8.5764 -8.5764 15.4698 15.4698 15.7272 15.7272 16.2458 16.2458 17.6283 17.6283 17.8784 17.8784 18.6457 18.6457 18.7140 18.7140 20.8741 20.8741 21.0372 21.0372 21.3112 21.3112 k = 0.0102 0.5000-0.0000 ( 2746 PWs) bands (ev): -51.8740 -51.8740 -42.1243 -42.1243 -24.4654 -24.4654 -21.3265 -21.3265 -21.2531 -21.2531 -16.4535 -16.4535 -8.9227 -8.9227 -8.5766 -8.5766 15.4693 15.4693 15.7275 15.7275 16.2460 16.2460 17.6265 17.6265 17.8756 17.8756 18.6394 18.6394 18.7226 18.7226 20.8629 20.8629 21.0496 21.0496 21.3182 21.3182 k = 0.0204 0.5000-0.0000 ( 2746 PWs) bands (ev): -51.8739 -51.8739 -42.1243 -42.1243 -24.4655 -24.4655 -21.3266 -21.3266 -21.2533 -21.2533 -16.4536 -16.4536 -8.9226 -8.9226 -8.5771 -8.5771 15.4679 15.4679 15.7285 15.7285 16.2468 16.2468 17.6214 17.6214 17.8676 17.8676 18.6221 18.6221 18.7466 18.7466 20.8353 20.8353 21.0809 21.0809 21.3386 21.3386 k = 0.0306 0.5000-0.0000 ( 2746 PWs) bands (ev): -51.8739 -51.8739 -42.1242 -42.1242 -24.4657 -24.4657 -21.3268 -21.3268 -21.2536 -21.2536 -16.4537 -16.4537 -8.9226 -8.9226 -8.5781 -8.5781 15.4654 15.4654 15.7298 15.7298 16.2483 16.2483 17.6133 17.6133 17.8552 17.8552 18.5956 18.5956 18.7836 18.7836 20.8001 20.8001 21.1238 21.1238 21.3706 21.3706 k = 0.0408 0.5000-0.0000 ( 2746 PWs) bands (ev): -51.8739 -51.8739 -42.1241 -42.1241 -24.4659 -24.4659 -21.3270 -21.3270 -21.2540 -21.2540 -16.4538 -16.4538 -8.9225 -8.9225 -8.5794 -8.5794 15.4617 15.4617 15.7311 15.7311 16.2511 16.2511 17.6029 17.6029 17.8396 17.8396 18.5606 18.5606 18.8319 18.8319 20.7618 20.7618 21.1748 21.1748 21.4122 21.4122 k = 0.0510 0.5000-0.0000 ( 2746 PWs) bands (ev): -51.8738 -51.8738 -42.1239 -42.1239 -24.4661 -24.4661 -21.3273 -21.3273 -21.2545 -21.2545 -16.4540 -16.4540 -8.9225 -8.9225 -8.5810 -8.5810 15.4565 15.4565 15.7317 15.7317 16.2558 16.2558 17.5912 17.5912 17.8219 17.8219 18.5180 18.5180 18.8900 18.8900 20.7225 20.7225 21.2326 21.2326 21.4615 21.4615 k = 0.0612 0.5000-0.0000 ( 2746 PWs) bands (ev): -51.8737 -51.8737 -42.1237 -42.1237 -24.4664 -24.4664 -21.3277 -21.3277 -21.2551 -21.2551 -16.4542 -16.4542 -8.9224 -8.9224 -8.5830 -8.5830 15.4498 15.4498 15.7311 15.7311 16.2631 16.2631 17.5787 17.5787 17.8032 17.8032 18.4686 18.4686 18.9565 18.9565 20.6833 20.6833 21.2961 21.2961 21.5173 21.5173 k = 0.0714 0.5000-0.0000 ( 2748 PWs) bands (ev): -51.8737 -51.8737 -42.1235 -42.1235 -24.4668 -24.4668 -21.3282 -21.3282 -21.2558 -21.2558 -16.4545 -16.4545 -8.9223 -8.9223 -8.5854 -8.5854 15.4411 15.4411 15.7284 15.7284 16.2738 16.2738 17.5660 17.5660 17.7848 17.7848 18.4135 18.4135 19.0300 19.0300 20.6449 20.6449 21.3640 21.3640 21.5789 21.5789 k = 0.0816 0.5000-0.0000 ( 2744 PWs) bands (ev): -51.8736 -51.8736 -42.1232 -42.1232 -24.4672 -24.4672 -21.3287 -21.3287 -21.2566 -21.2566 -16.4547 -16.4547 -8.9223 -8.9223 -8.5880 -8.5880 15.4303 15.4303 15.7230 15.7230 16.2886 16.2886 17.5532 17.5532 17.7681 17.7681 18.3536 18.3536 19.1095 19.1095 20.6076 20.6076 21.4344 21.4344 21.6465 21.6465 k = 0.0918 0.5000-0.0000 ( 2740 PWs) bands (ev): -51.8735 -51.8735 -42.1229 -42.1229 -24.4676 -24.4676 -21.3293 -21.3293 -21.2575 -21.2575 -16.4551 -16.4551 -8.9222 -8.9222 -8.5909 -8.5909 15.4171 15.4171 15.7143 15.7143 16.3083 16.3083 17.5398 17.5398 17.7547 17.7547 18.2899 18.2899 19.1940 19.1940 20.5720 20.5720 21.5056 21.5056 21.7204 21.7204 k = 0.1020 0.5000-0.0000 ( 2744 PWs) bands (ev): -51.8734 -51.8734 -42.1226 -42.1226 -24.4681 -24.4681 -21.3300 -21.3300 -21.2585 -21.2585 -16.4554 -16.4554 -8.9223 -8.9223 -8.5940 -8.5940 15.4013 15.4013 15.7020 15.7020 16.3333 16.3333 17.5246 17.5246 17.7469 17.7469 18.2232 18.2232 19.2828 19.2828 20.5380 20.5380 21.5756 21.5756 21.8010 21.8010 k = 0.1122 0.5000-0.0000 ( 2744 PWs) bands (ev): -51.8732 -51.8732 -42.1222 -42.1222 -24.4687 -24.4687 -21.3308 -21.3308 -21.2595 -21.2595 -16.4558 -16.4558 -8.9223 -8.9223 -8.5974 -8.5974 15.3829 15.3829 15.6858 15.6858 16.3639 16.3639 17.5064 17.5064 17.7467 17.7467 18.1544 18.1544 19.3753 19.3753 20.5060 20.5060 21.6429 21.6429 21.8887 21.8887 k = 0.1224 0.5000-0.0000 ( 2744 PWs) bands (ev): -51.8731 -51.8731 -42.1219 -42.1219 -24.4692 -24.4692 -21.3317 -21.3317 -21.2606 -21.2606 -16.4562 -16.4562 -8.9224 -8.9224 -8.6010 -8.6010 15.3616 15.3616 15.6659 15.6659 16.4003 16.4003 17.4843 17.4843 17.7555 17.7555 18.0842 18.0842 19.4709 19.4709 20.4759 20.4759 21.7069 21.7069 21.9830 21.9830 k = 0.1327 0.5000-0.0000 ( 2744 PWs) bands (ev): -51.8730 -51.8730 -42.1215 -42.1215 -24.4699 -24.4699 -21.3326 -21.3326 -21.2618 -21.2618 -16.4567 -16.4567 -8.9226 -8.9226 -8.6047 -8.6047 15.3376 15.3376 15.6423 15.6423 16.4422 16.4422 17.4579 17.4579 17.7737 17.7737 18.0136 18.0136 19.5691 19.5691 20.4480 20.4480 21.7671 21.7671 22.0834 22.0834 k = 0.1429 0.5000-0.0000 ( 2740 PWs) bands (ev): -51.8728 -51.8728 -42.1210 -42.1210 -24.4705 -24.4705 -21.3337 -21.3337 -21.2629 -21.2629 -16.4571 -16.4571 -8.9229 -8.9229 -8.6086 -8.6086 15.3109 15.3109 15.6155 15.6155 16.4896 16.4896 17.4278 17.4278 17.7997 17.7997 17.9445 17.9445 19.6696 19.6696 20.4223 20.4223 21.8236 21.8236 22.1887 22.1887 k = 0.1531 0.5000-0.0000 ( 2744 PWs) bands (ev): -51.8727 -51.8727 -42.1206 -42.1206 -24.4713 -24.4713 -21.3348 -21.3348 -21.2641 -21.2641 -16.4577 -16.4577 -8.9233 -8.9233 -8.6126 -8.6126 15.2817 15.2817 15.5857 15.5857 16.5422 16.5422 17.3947 17.3947 17.8204 17.8204 17.8900 17.8900 19.7717 19.7717 20.3990 20.3990 21.8764 21.8764 22.2982 22.2982 k = 0.1633 0.5000-0.0000 ( 2744 PWs) bands (ev): -51.8725 -51.8725 -42.1201 -42.1201 -24.4720 -24.4720 -21.3360 -21.3360 -21.2654 -21.2654 -16.4582 -16.4582 -8.9238 -8.9238 -8.6166 -8.6166 15.2502 15.2502 15.5534 15.5534 16.5997 16.5997 17.3591 17.3591 17.7807 17.7807 17.9051 17.9051 19.8749 19.8749 20.3784 20.3784 21.9254 21.9254 22.4111 22.4111 k = 0.1735 0.5000-0.0000 ( 2740 PWs) bands (ev): -51.8723 -51.8723 -42.1196 -42.1196 -24.4727 -24.4727 -21.3373 -21.3373 -21.2666 -21.2666 -16.4587 -16.4587 -8.9245 -8.9245 -8.6206 -8.6206 15.2165 15.2165 15.5188 15.5188 16.6618 16.6618 17.3219 17.3219 17.7139 17.7139 17.9563 17.9563 19.9783 19.9783 20.3610 20.3610 21.9707 21.9707 22.5266 22.5266 k = 0.1837 0.5000-0.0000 ( 2740 PWs) bands (ev): -51.8721 -51.8721 -42.1191 -42.1191 -24.4735 -24.4735 -21.3388 -21.3388 -21.2678 -21.2678 -16.4593 -16.4593 -8.9252 -8.9252 -8.6247 -8.6247 15.1811 15.1811 15.4824 15.4824 16.7279 16.7279 17.2836 17.2836 17.6445 17.6445 18.0188 18.0188 20.0797 20.0797 20.3489 20.3489 22.0120 22.0120 22.6442 22.6442 k = 0.1939 0.5000-0.0000 ( 2740 PWs) bands (ev): -51.8720 -51.8720 -42.1186 -42.1186 -24.4744 -24.4744 -21.3403 -21.3403 -21.2689 -21.2689 -16.4599 -16.4599 -8.9262 -8.9262 -8.6287 -8.6287 15.1441 15.1441 15.4445 15.4445 16.7975 16.7975 17.2450 17.2450 17.5753 17.5753 18.0895 18.0895 20.1722 20.1722 20.3485 20.3485 22.0492 22.0492 22.7635 22.7635 k = 0.2041 0.5000-0.0000 ( 2736 PWs) bands (ev): -51.8718 -51.8718 -42.1180 -42.1180 -24.4752 -24.4752 -21.3418 -21.3418 -21.2701 -21.2701 -16.4605 -16.4605 -8.9273 -8.9273 -8.6326 -8.6326 15.1060 15.1060 15.4054 15.4054 16.8694 16.8694 17.2072 17.2072 17.5074 17.5074 18.1673 18.1673 20.2339 20.2339 20.3816 20.3816 22.0820 22.0820 22.8839 22.8839 k = 0.2143 0.5000-0.0000 ( 2736 PWs) bands (ev): -51.8716 -51.8716 -42.1175 -42.1175 -24.4760 -24.4760 -21.3435 -21.3435 -21.2712 -21.2712 -16.4611 -16.4611 -8.9286 -8.9286 -8.6364 -8.6364 15.0670 15.0670 15.3654 15.3654 16.9405 16.9405 17.1730 17.1730 17.4414 17.4414 18.2516 18.2516 20.2514 20.2514 20.4612 20.4612 22.1103 22.1103 23.0051 23.0051 k = 0.2245 0.5000-0.0000 ( 2740 PWs) bands (ev): -51.8714 -51.8714 -42.1169 -42.1169 -24.4769 -24.4769 -21.3453 -21.3453 -21.2723 -21.2723 -16.4618 -16.4618 -8.9301 -8.9301 -8.6401 -8.6401 15.0273 15.0273 15.3247 15.3247 17.0005 17.0005 17.1517 17.1517 17.3787 17.3787 18.3418 18.3418 20.2502 20.2502 20.5615 20.5615 22.1336 22.1336 23.1267 23.1267 k = 0.2347 0.5000-0.0000 ( 2740 PWs) bands (ev): -51.8712 -51.8712 -42.1164 -42.1164 -24.4778 -24.4778 -21.3471 -21.3471 -21.2734 -21.2734 -16.4624 -16.4624 -8.9318 -8.9318 -8.6436 -8.6436 14.9873 14.9873 15.2837 15.2837 17.0210 17.0210 17.1669 17.1669 17.3242 17.3242 18.4374 18.4374 20.2444 20.2444 20.6680 20.6680 22.1520 22.1520 23.2485 23.2485 k = 0.2449 0.5000-0.0000 ( 2732 PWs) bands (ev): -51.8710 -51.8710 -42.1158 -42.1158 -24.4787 -24.4787 -21.3489 -21.3489 -21.2743 -21.2743 -16.4631 -16.4631 -8.9337 -8.9337 -8.6469 -8.6469 14.9472 14.9472 15.2425 15.2425 17.0008 17.0008 17.1915 17.1915 17.3065 17.3065 18.5378 18.5378 20.2377 20.2377 20.7769 20.7769 22.1650 22.1650 23.3699 23.3699 k = 0.2551 0.5000-0.0000 ( 2730 PWs) bands (ev): -51.8708 -51.8708 -42.1152 -42.1152 -24.4795 -24.4795 -21.3508 -21.3508 -21.2753 -21.2753 -16.4638 -16.4638 -8.9357 -8.9357 -8.6501 -8.6501 14.9073 14.9073 15.2014 15.2014 16.9671 16.9671 17.1600 17.1600 17.3640 17.3640 18.6426 18.6426 20.2314 20.2314 20.8865 20.8865 22.1725 22.1725 23.4908 23.4908 k = 0.2653 0.5000-0.0000 ( 2740 PWs) bands (ev): -51.8706 -51.8706 -42.1147 -42.1147 -24.4805 -24.4805 -21.3528 -21.3528 -21.2762 -21.2762 -16.4644 -16.4644 -8.9380 -8.9380 -8.6530 -8.6530 14.8677 14.8677 15.1606 15.1606 16.9297 16.9297 17.1082 17.1082 17.4510 17.4510 18.7512 18.7512 20.2257 20.2257 20.9962 20.9962 22.1743 22.1743 23.6109 23.6109 k = 0.2755 0.5000-0.0000 ( 2740 PWs) bands (ev): -51.8704 -51.8704 -42.1141 -42.1141 -24.4814 -24.4814 -21.3548 -21.3548 -21.2771 -21.2771 -16.4651 -16.4651 -8.9404 -8.9404 -8.6557 -8.6557 14.8288 14.8288 15.1202 15.1202 16.8913 16.8913 17.0541 17.0541 17.5472 17.5472 18.8632 18.8632 20.2209 20.2209 21.1054 21.1054 22.1703 22.1703 23.7297 23.7297 k = 0.2857 0.5000-0.0000 ( 2736 PWs) bands (ev): -51.8702 -51.8702 -42.1136 -42.1136 -24.4822 -24.4822 -21.3568 -21.3568 -21.2779 -21.2779 -16.4658 -16.4658 -8.9429 -8.9429 -8.6581 -8.6581 14.7905 14.7905 15.0805 15.0805 16.8529 16.8529 17.0006 17.0006 17.6485 17.6485 18.9779 18.9779 20.2170 20.2170 21.2137 21.2137 22.1604 22.1604 23.8470 23.8470 k = 0.2959 0.5000-0.0000 ( 2738 PWs) bands (ev): -51.8700 -51.8700 -42.1130 -42.1130 -24.4831 -24.4831 -21.3589 -21.3589 -21.2786 -21.2786 -16.4664 -16.4664 -8.9456 -8.9456 -8.6604 -8.6604 14.7532 14.7532 15.0417 15.0417 16.8151 16.8151 16.9487 16.9487 17.7535 17.7535 19.0950 19.0950 20.2140 20.2140 21.3207 21.3207 22.1444 22.1444 23.9625 23.9625 k = 0.3061 0.5000-0.0000 ( 2738 PWs) bands (ev): -51.8698 -51.8698 -42.1125 -42.1125 -24.4840 -24.4840 -21.3609 -21.3609 -21.2793 -21.2793 -16.4671 -16.4671 -8.9484 -8.9484 -8.6624 -8.6624 14.7170 14.7170 15.0038 15.0038 16.7780 16.7780 16.8987 16.8987 17.8614 17.8614 19.2137 19.2137 20.2120 20.2120 21.4258 21.4258 22.1223 22.1223 24.0757 24.0757 k = 0.3163 0.5000-0.0000 ( 2732 PWs) bands (ev): -51.8697 -51.8697 -42.1120 -42.1120 -24.4848 -24.4848 -21.3629 -21.3629 -21.2800 -21.2800 -16.4677 -16.4677 -8.9513 -8.9513 -8.6642 -8.6642 14.6820 14.6820 14.9670 14.9670 16.7420 16.7420 16.8510 16.8510 17.9718 17.9718 19.3335 19.3335 20.2110 20.2110 21.5288 21.5288 22.0943 22.0943 24.1864 24.1864 k = 0.3265 0.5000-0.0000 ( 2736 PWs) bands (ev): -51.8695 -51.8695 -42.1114 -42.1114 -24.4856 -24.4856 -21.3649 -21.3649 -21.2806 -21.2806 -16.4683 -16.4683 -8.9542 -8.9542 -8.6657 -8.6657 14.6483 14.6483 14.9315 14.9315 16.7072 16.7072 16.8055 16.8055 18.0843 18.0843 19.4536 19.4536 20.2110 20.2110 21.6290 21.6290 22.0603 22.0603 24.2942 24.2942 k = 0.3367 0.5000-0.0000 ( 2736 PWs) bands (ev): -51.8693 -51.8693 -42.1110 -42.1110 -24.4864 -24.4864 -21.3668 -21.3668 -21.2811 -21.2811 -16.4689 -16.4689 -8.9572 -8.9572 -8.6671 -8.6671 14.6160 14.6160 14.8974 14.8974 16.6736 16.6736 16.7625 16.7625 18.1985 18.1985 19.5735 19.5735 20.2121 20.2121 21.7259 21.7259 22.0206 22.0206 24.3987 24.3987 k = 0.3469 0.5000-0.0000 ( 2742 PWs) bands (ev): -51.8692 -51.8692 -42.1105 -42.1105 -24.4872 -24.4872 -21.3687 -21.3687 -21.2817 -21.2817 -16.4695 -16.4695 -8.9602 -8.9602 -8.6683 -8.6683 14.5853 14.5853 14.8648 14.8648 16.6415 16.6415 16.7219 16.7219 18.3141 18.3141 19.6921 19.6921 20.2144 20.2144 21.8183 21.8183 21.9762 21.9762 24.4996 24.4996 k = 0.3571 0.5000-0.0000 ( 2734 PWs) bands (ev): -51.8690 -51.8690 -42.1100 -42.1100 -24.4878 -24.4878 -21.3705 -21.3705 -21.2821 -21.2821 -16.4701 -16.4701 -8.9631 -8.9631 -8.6693 -8.6693 14.5562 14.5562 14.8339 14.8339 16.6109 16.6109 16.6839 16.6839 18.4307 18.4307 19.8083 19.8083 20.2184 20.2184 21.8945 21.8945 21.9383 21.9383 24.5964 24.5964 k = 0.3673 0.5000-0.0000 ( 2736 PWs) bands (ev): -51.8688 -51.8688 -42.1096 -42.1096 -24.4885 -24.4885 -21.3723 -21.3723 -21.2825 -21.2825 -16.4706 -16.4706 -8.9660 -8.9660 -8.6701 -8.6701 14.5288 14.5288 14.8046 14.8046 16.5820 16.5820 16.6484 16.6484 18.5477 18.5477 19.9206 19.9206 20.2247 20.2247 21.8625 21.8625 21.9989 21.9989 24.6888 24.6888 k = 0.3776 0.5000-0.0000 ( 2736 PWs) bands (ev): -51.8687 -51.8687 -42.1092 -42.1092 -24.4892 -24.4892 -21.3739 -21.3739 -21.2829 -21.2829 -16.4711 -16.4711 -8.9688 -8.9688 -8.6709 -8.6709 14.5032 14.5032 14.7772 14.7772 16.5547 16.5547 16.6156 16.6156 18.6647 18.6647 20.0260 20.0260 20.2356 20.2356 21.8035 21.8035 22.0767 22.0767 24.7763 24.7763 k = 0.3878 0.5000-0.0000 ( 2728 PWs) bands (ev): -51.8686 -51.8686 -42.1088 -42.1088 -24.4898 -24.4898 -21.3754 -21.3754 -21.2833 -21.2833 -16.4716 -16.4716 -8.9715 -8.9715 -8.6714 -8.6714 14.4794 14.4794 14.7516 14.7516 16.5292 16.5292 16.5855 16.5855 18.7811 18.7811 20.1170 20.1170 20.2576 20.2576 21.7394 21.7394 22.1499 22.1499 24.8585 24.8585 k = 0.3980 0.5000-0.0000 ( 2732 PWs) bands (ev): -51.8685 -51.8685 -42.1085 -42.1085 -24.4904 -24.4904 -21.3769 -21.3769 -21.2836 -21.2836 -16.4720 -16.4720 -8.9741 -8.9741 -8.6719 -8.6719 14.4575 14.4575 14.7280 14.7280 16.5055 16.5055 16.5580 16.5580 18.8961 18.8961 20.1776 20.1776 20.3056 20.3056 21.6720 21.6720 22.2171 22.2171 24.9350 24.9350 k = 0.4082 0.5000-0.0000 ( 2728 PWs) bands (ev): -51.8683 -51.8683 -42.1081 -42.1081 -24.4909 -24.4909 -21.3782 -21.3782 -21.2838 -21.2838 -16.4724 -16.4724 -8.9765 -8.9765 -8.6723 -8.6723 14.4376 14.4376 14.7065 14.7065 16.4838 16.4838 16.5333 16.5333 19.0088 19.0088 20.2078 20.2078 20.3784 20.3784 21.6025 21.6025 22.2777 22.2777 25.0053 25.0053 k = 0.4184 0.5000-0.0000 ( 2726 PWs) bands (ev): -51.8682 -51.8682 -42.1078 -42.1078 -24.4913 -24.4913 -21.3795 -21.3795 -21.2841 -21.2841 -16.4728 -16.4728 -8.9787 -8.9787 -8.6726 -8.6726 14.4196 14.4196 14.6871 14.6871 16.4640 16.4640 16.5112 16.5112 19.1181 19.1181 20.2267 20.2267 20.4554 20.4554 21.5326 21.5326 22.3314 22.3314 25.0691 25.0691 k = 0.4286 0.5000-0.0000 ( 2718 PWs) bands (ev): -51.8681 -51.8681 -42.1076 -42.1076 -24.4917 -24.4917 -21.3805 -21.3805 -21.2843 -21.2843 -16.4731 -16.4731 -8.9807 -8.9807 -8.6728 -8.6728 14.4037 14.4037 14.6698 14.6698 16.4464 16.4464 16.4918 16.4918 19.2225 19.2225 20.2439 20.2439 20.5254 20.5254 21.4643 21.4643 22.3780 22.3780 25.1259 25.1259 k = 0.4388 0.5000-0.0000 ( 2718 PWs) bands (ev): -51.8681 -51.8681 -42.1073 -42.1073 -24.4921 -24.4921 -21.3815 -21.3815 -21.2845 -21.2845 -16.4734 -16.4734 -8.9825 -8.9825 -8.6730 -8.6730 14.3898 14.3898 14.6548 14.6548 16.4309 16.4309 16.4750 16.4750 19.3203 19.3203 20.2629 20.2629 20.5828 20.5828 21.4003 21.4003 22.4174 22.4174 25.1753 25.1753 k = 0.4490 0.5000-0.0000 ( 2718 PWs) bands (ev): -51.8680 -51.8680 -42.1071 -42.1071 -24.4924 -24.4924 -21.3823 -21.3823 -21.2846 -21.2846 -16.4736 -16.4736 -8.9840 -8.9840 -8.6731 -8.6731 14.3780 14.3780 14.6419 14.6419 16.4177 16.4177 16.4609 16.4609 19.4092 19.4092 20.2855 20.2855 20.6236 20.6236 21.3440 21.3440 22.4498 22.4498 25.2169 25.2169 k = 0.4592 0.5000-0.0000 ( 2720 PWs) bands (ev): -51.8679 -51.8679 -42.1070 -42.1070 -24.4927 -24.4927 -21.3830 -21.3830 -21.2847 -21.2847 -16.4739 -16.4739 -8.9853 -8.9853 -8.6732 -8.6732 14.3683 14.3683 14.6314 14.6314 16.4068 16.4068 16.4494 16.4494 19.4867 19.4867 20.3128 20.3128 20.6444 20.6444 21.2988 21.2988 22.4755 22.4755 25.2500 25.2500 k = 0.4694 0.5000-0.0000 ( 2720 PWs) bands (ev): -51.8679 -51.8679 -42.1069 -42.1069 -24.4929 -24.4929 -21.3835 -21.3835 -21.2848 -21.2848 -16.4740 -16.4740 -8.9863 -8.9863 -8.6733 -8.6733 14.3608 14.3608 14.6232 14.6232 16.3982 16.3982 16.4405 16.4405 19.5502 19.5502 20.3450 20.3450 20.6445 20.6445 21.2669 21.2669 22.4949 22.4949 25.2745 25.2745 k = 0.4796 0.5000-0.0000 ( 2708 PWs) bands (ev): -51.8679 -51.8679 -42.1067 -42.1067 -24.4929 -24.4929 -21.3839 -21.3839 -21.2849 -21.2849 -16.4741 -16.4741 -8.9870 -8.9870 -8.6733 -8.6733 14.3554 14.3554 14.6173 14.6173 16.3921 16.3921 16.4341 16.4341 19.5973 19.5973 20.3806 20.3806 20.6275 20.6275 21.2477 21.2477 22.5083 22.5083 25.2907 25.2907 k = 0.4898 0.5000-0.0000 ( 2704 PWs) bands (ev): -51.8678 -51.8678 -42.1067 -42.1067 -24.4930 -24.4930 -21.3841 -21.3841 -21.2849 -21.2849 -16.4742 -16.4742 -8.9874 -8.9874 -8.6733 -8.6733 14.3522 14.3522 14.6138 14.6138 16.3884 16.3884 16.4303 16.4303 19.6262 19.6262 20.4131 20.4131 20.6037 20.6037 21.2383 21.2383 22.5162 22.5162 25.2995 25.2995 k = 0.5000 0.5000-0.0000 ( 2704 PWs) bands (ev): -51.8678 -51.8678 -42.1067 -42.1067 -24.4930 -24.4930 -21.3842 -21.3842 -21.2849 -21.2849 -16.4742 -16.4742 -8.9876 -8.9876 -8.6733 -8.6733 14.3511 14.3511 14.6126 14.6126 16.3872 16.3872 16.4290 16.4290 19.6359 19.6359 20.4280 20.4280 20.5912 20.5912 21.2356 21.2356 22.5187 22.5187 25.3022 25.3022 k = 0.5000 0.5000-0.0000 ( 2704 PWs) bands (ev): -51.8678 -51.8678 -42.1067 -42.1067 -24.4930 -24.4930 -21.3842 -21.3842 -21.2849 -21.2849 -16.4742 -16.4742 -8.9876 -8.9876 -8.6733 -8.6733 14.3511 14.3511 14.6126 14.6126 16.3872 16.3872 16.4290 16.4290 19.6359 19.6359 20.4280 20.4280 20.5912 20.5912 21.2356 21.2356 22.5187 22.5187 25.3022 25.3022 k = 0.4928 0.4928-0.0000 ( 2704 PWs) bands (ev): -51.8678 -51.8678 -42.1067 -42.1067 -24.4930 -24.4930 -21.3841 -21.3841 -21.2849 -21.2849 -16.4742 -16.4742 -8.9874 -8.9874 -8.6733 -8.6733 14.3522 14.3522 14.6138 14.6138 16.3884 16.3884 16.4303 16.4303 19.6261 19.6261 20.4124 20.4124 20.6044 20.6044 21.2382 21.2382 22.5161 22.5161 25.2994 25.2994 k = 0.4855 0.4855-0.0000 ( 2712 PWs) bands (ev): -51.8679 -51.8679 -42.1068 -42.1068 -24.4930 -24.4930 -21.3839 -21.3839 -21.2849 -21.2849 -16.4741 -16.4741 -8.9870 -8.9870 -8.6733 -8.6733 14.3554 14.3554 14.6174 14.6174 16.3920 16.3920 16.4343 16.4343 19.5976 19.5976 20.3736 20.3736 20.6356 20.6356 21.2459 21.2459 22.5083 22.5083 25.2898 25.2898 k = 0.4783 0.4783-0.0000 ( 2720 PWs) bands (ev): -51.8679 -51.8679 -42.1069 -42.1069 -24.4929 -24.4929 -21.3835 -21.3835 -21.2848 -21.2848 -16.4740 -16.4740 -8.9863 -8.9863 -8.6733 -8.6733 14.3607 14.3607 14.6234 14.6234 16.3977 16.3977 16.4412 16.4412 19.5523 19.5523 20.3208 20.3208 20.6739 20.6739 21.2584 21.2584 22.4953 22.4953 25.2710 25.2710 k = 0.4710 0.4710-0.0000 ( 2720 PWs) bands (ev): -51.8679 -51.8679 -42.1070 -42.1070 -24.4927 -24.4927 -21.3830 -21.3830 -21.2847 -21.2847 -16.4738 -16.4738 -8.9852 -8.9852 -8.6732 -8.6732 14.3680 14.3680 14.6318 14.6318 16.4052 16.4052 16.4513 16.4513 19.4929 19.4929 20.2575 20.2575 20.7142 20.7142 21.2753 21.2753 22.4770 22.4770 25.2415 25.2415 k = 0.4638 0.4638-0.0000 ( 2720 PWs) bands (ev): -51.8680 -51.8680 -42.1071 -42.1071 -24.4924 -24.4924 -21.3823 -21.3823 -21.2846 -21.2846 -16.4736 -16.4736 -8.9839 -8.9839 -8.6731 -8.6731 14.3770 14.3770 14.6428 14.6428 16.4140 16.4140 16.4652 16.4652 19.4221 19.4221 20.1852 20.1852 20.7532 20.7532 21.2963 21.2963 22.4535 22.4535 25.2013 25.2013 k = 0.4565 0.4565-0.0000 ( 2714 PWs) bands (ev): -51.8681 -51.8681 -42.1073 -42.1073 -24.4920 -24.4920 -21.3814 -21.3814 -21.2845 -21.2845 -16.4734 -16.4734 -8.9823 -8.9823 -8.6730 -8.6730 14.3876 14.3876 14.6564 14.6564 16.4238 16.4238 16.4829 16.4829 19.3422 19.3422 20.1046 20.1046 20.7888 20.7888 21.3212 21.3212 22.4249 22.4249 25.1512 25.1512 k = 0.4493 0.4493-0.0000 ( 2714 PWs) bands (ev): -51.8682 -51.8682 -42.1076 -42.1076 -24.4917 -24.4917 -21.3805 -21.3805 -21.2843 -21.2843 -16.4730 -16.4730 -8.9804 -8.9804 -8.6729 -8.6729 14.3994 14.3994 14.6727 14.6727 16.4345 16.4345 16.5046 16.5046 19.2552 19.2552 20.0164 20.0164 20.8196 20.8196 21.3496 21.3496 22.3913 22.3913 25.0918 25.0918 k = 0.4420 0.4420-0.0000 ( 2720 PWs) bands (ev): -51.8682 -51.8682 -42.1078 -42.1078 -24.4913 -24.4913 -21.3794 -21.3794 -21.2841 -21.2841 -16.4727 -16.4727 -8.9782 -8.9782 -8.6728 -8.6728 14.4123 14.4123 14.6917 14.6917 16.4461 16.4461 16.5302 16.5302 19.1625 19.1625 19.9214 19.9214 20.8444 20.8444 21.3814 21.3814 22.3529 22.3529 25.0238 25.0238 k = 0.4348 0.4348-0.0000 ( 2720 PWs) bands (ev): -51.8684 -51.8684 -42.1081 -42.1081 -24.4908 -24.4908 -21.3781 -21.3781 -21.2839 -21.2839 -16.4723 -16.4723 -8.9756 -8.9756 -8.6726 -8.6726 14.4258 14.4258 14.7136 14.7136 16.4588 16.4588 16.5595 16.5595 19.0654 19.0654 19.8205 19.8205 20.8628 20.8628 21.4158 21.4158 22.3100 22.3100 24.9481 24.9481 k = 0.4275 0.4275-0.0000 ( 2726 PWs) bands (ev): -51.8685 -51.8685 -42.1085 -42.1085 -24.4903 -24.4903 -21.3767 -21.3767 -21.2837 -21.2837 -16.4718 -16.4718 -8.9729 -8.9729 -8.6724 -8.6724 14.4396 14.4396 14.7382 14.7382 16.4726 16.4726 16.5925 16.5925 18.9648 18.9648 19.7146 19.7146 20.8748 20.8748 21.4521 21.4521 22.2631 22.2631 24.8653 24.8653 k = 0.4203 0.4203-0.0000 ( 2726 PWs) bands (ev): -51.8686 -51.8686 -42.1088 -42.1088 -24.4897 -24.4897 -21.3752 -21.3752 -21.2834 -21.2834 -16.4713 -16.4713 -8.9698 -8.9698 -8.6721 -8.6721 14.4534 14.4534 14.7657 14.7657 16.4875 16.4875 16.6289 16.6289 18.8614 18.8614 19.6043 19.6043 20.8808 20.8808 21.4896 21.4896 22.2126 22.2126 24.7762 24.7762 k = 0.4130 0.4130-0.0000 ( 2726 PWs) bands (ev): -51.8687 -51.8687 -42.1092 -42.1092 -24.4891 -24.4891 -21.3735 -21.3735 -21.2831 -21.2831 -16.4707 -16.4707 -8.9664 -8.9664 -8.6719 -8.6719 14.4668 14.4668 14.7959 14.7959 16.5035 16.5035 16.6686 16.6686 18.7558 18.7558 19.4907 19.4907 20.8812 20.8812 21.5272 21.5272 22.1590 22.1590 24.6815 24.6815 k = 0.4058 0.4058-0.0000 ( 2730 PWs) bands (ev): -51.8689 -51.8689 -42.1097 -42.1097 -24.4884 -24.4884 -21.3718 -21.3718 -21.2828 -21.2828 -16.4700 -16.4700 -8.9627 -8.9627 -8.6715 -8.6715 14.4796 14.4796 14.8287 14.8287 16.5207 16.5207 16.7115 16.7115 18.6486 18.6486 19.3745 19.3745 20.8768 20.8768 21.5643 21.5643 22.1030 22.1030 24.5821 24.5821 k = 0.3986 0.3986-0.0000 ( 2722 PWs) bands (ev): -51.8691 -51.8691 -42.1101 -42.1101 -24.4877 -24.4877 -21.3698 -21.3698 -21.2824 -21.2824 -16.4693 -16.4693 -8.9587 -8.9587 -8.6711 -8.6711 14.4914 14.4914 14.8640 14.8640 16.5390 16.5390 16.7575 16.7575 18.5400 18.5400 19.2566 19.2566 20.8683 20.8683 21.6001 21.6001 22.0452 22.0452 24.4788 24.4788 k = 0.3913 0.3913-0.0000 ( 2726 PWs) bands (ev): -51.8692 -51.8692 -42.1106 -42.1106 -24.4870 -24.4870 -21.3679 -21.3679 -21.2821 -21.2821 -16.4685 -16.4685 -8.9544 -8.9544 -8.6707 -8.6707 14.5018 14.5018 14.9014 14.9014 16.5585 16.5585 16.8064 16.8064 18.4306 18.4306 19.1377 19.1377 20.8563 20.8563 21.6341 21.6341 21.9862 21.9862 24.3721 24.3721 k = 0.3841 0.3841-0.0000 ( 2720 PWs) bands (ev): -51.8694 -51.8694 -42.1111 -42.1111 -24.4861 -24.4861 -21.3657 -21.3657 -21.2817 -21.2817 -16.4676 -16.4676 -8.9499 -8.9499 -8.6702 -8.6702 14.5107 14.5107 14.9407 14.9407 16.5791 16.5791 16.8581 16.8581 18.3204 18.3204 19.0186 19.0186 20.8413 20.8413 21.6659 21.6659 21.9267 21.9267 24.2629 24.2629 k = 0.3768 0.3768-0.0000 ( 2720 PWs) bands (ev): -51.8696 -51.8696 -42.1116 -42.1116 -24.4853 -24.4853 -21.3635 -21.3635 -21.2813 -21.2813 -16.4667 -16.4667 -8.9450 -8.9450 -8.6696 -8.6696 14.5176 14.5176 14.9815 14.9815 16.6009 16.6009 16.9124 16.9124 18.2100 18.2100 18.9002 18.9002 20.8242 20.8242 21.6951 21.6951 21.8673 21.8673 24.1518 24.1518 k = 0.3696 0.3696-0.0000 ( 2716 PWs) bands (ev): -51.8698 -51.8698 -42.1122 -42.1122 -24.4844 -24.4844 -21.3612 -21.3612 -21.2809 -21.2809 -16.4657 -16.4657 -8.9399 -8.9399 -8.6690 -8.6690 14.5222 14.5222 15.0235 15.0235 16.6237 16.6237 16.9690 16.9690 18.0993 18.0993 18.7833 18.7833 20.8055 20.8055 21.7216 21.7216 21.8087 21.8087 24.0396 24.0396 k = 0.3623 0.3623-0.0000 ( 2720 PWs) bands (ev): -51.8700 -51.8700 -42.1128 -42.1128 -24.4836 -24.4836 -21.3589 -21.3589 -21.2806 -21.2806 -16.4646 -16.4646 -8.9345 -8.9345 -8.6683 -8.6683 14.5241 14.5241 15.0662 15.0662 16.6476 16.6476 17.0278 17.0278 17.9887 17.9887 18.6686 18.6686 20.7859 20.7859 21.7424 21.7424 21.7541 21.7541 23.9268 23.9268 k = 0.3551 0.3551-0.0000 ( 2720 PWs) bands (ev): -51.8702 -51.8702 -42.1134 -42.1134 -24.4827 -24.4827 -21.3565 -21.3565 -21.2801 -21.2801 -16.4634 -16.4634 -8.9288 -8.9288 -8.6675 -8.6675 14.5229 14.5229 15.1091 15.1091 16.6725 16.6725 17.0885 17.0885 17.8784 17.8784 18.5570 18.5570 20.7661 20.7661 21.6944 21.6944 21.7671 21.7671 23.8140 23.8140 k = 0.3478 0.3478-0.0000 ( 2724 PWs) bands (ev): -51.8705 -51.8705 -42.1140 -42.1140 -24.4817 -24.4817 -21.3540 -21.3540 -21.2797 -21.2797 -16.4622 -16.4622 -8.9228 -8.9228 -8.6666 -8.6666 14.5182 14.5182 15.1519 15.1519 16.6984 16.6984 17.1508 17.1508 17.7684 17.7684 18.4494 18.4494 20.7467 20.7467 21.6407 21.6407 21.7852 21.7852 23.7020 23.7020 k = 0.3406 0.3406-0.0000 ( 2724 PWs) bands (ev): -51.8707 -51.8707 -42.1146 -42.1146 -24.4808 -24.4808 -21.3515 -21.3515 -21.2793 -21.2793 -16.4609 -16.4609 -8.9166 -8.9166 -8.6657 -8.6657 14.5097 14.5097 15.1939 15.1939 16.7252 16.7252 17.2143 17.2143 17.6590 17.6590 18.3467 18.3467 20.7287 20.7287 21.5891 21.5891 21.8008 21.8008 23.5913 23.5913 k = 0.3333 0.3333-0.0000 ( 2736 PWs) bands (ev): -51.8710 -51.8710 -42.1153 -42.1153 -24.4799 -24.4799 -21.3489 -21.3489 -21.2789 -21.2789 -16.4595 -16.4595 -8.9101 -8.9101 -8.6647 -8.6647 14.4968 14.4968 15.2347 15.2347 16.7529 16.7529 17.2784 17.2784 17.5503 17.5503 18.2498 18.2498 20.7127 20.7127 21.5400 21.5400 21.8138 21.8138 23.4824 23.4824 k = 0.3261 0.3261-0.0000 ( 2722 PWs) bands (ev): -51.8712 -51.8712 -42.1159 -42.1159 -24.4788 -24.4788 -21.3462 -21.3462 -21.2784 -21.2784 -16.4580 -16.4580 -8.9033 -8.9033 -8.6636 -8.6636 14.4792 14.4792 15.2737 15.2737 16.7814 16.7814 17.3423 17.3423 17.4429 17.4429 18.1597 18.1597 20.6997 20.6997 21.4936 21.4936 21.8246 21.8246 23.3760 23.3760 k = 0.3188 0.3188-0.0000 ( 2722 PWs) bands (ev): -51.8715 -51.8715 -42.1166 -42.1166 -24.4778 -24.4778 -21.3435 -21.3435 -21.2780 -21.2780 -16.4564 -16.4564 -8.8962 -8.8962 -8.6624 -8.6624 14.4565 14.4565 15.3104 15.3104 16.8106 16.8106 17.3336 17.3336 17.4082 17.4082 18.0778 18.0778 20.6903 20.6903 21.4501 21.4501 21.8331 21.8331 23.2726 23.2726 k = 0.3116 0.3116-0.0000 ( 2722 PWs) bands (ev): -51.8717 -51.8717 -42.1173 -42.1173 -24.4768 -24.4768 -21.3408 -21.3408 -21.2775 -21.2775 -16.4548 -16.4548 -8.8889 -8.8889 -8.6611 -8.6611 14.4284 14.4284 15.3443 15.3443 16.8403 16.8403 17.2286 17.2286 17.4687 17.4687 18.0057 18.0057 20.6854 20.6854 21.4095 21.4095 21.8396 21.8396 23.1729 23.1729 k = 0.3043 0.3043-0.0000 ( 2718 PWs) bands (ev): -51.8720 -51.8720 -42.1180 -42.1180 -24.4758 -24.4758 -21.3381 -21.3381 -21.2771 -21.2771 -16.4530 -16.4530 -8.8814 -8.8814 -8.6597 -8.6597 14.3946 14.3946 15.3747 15.3747 16.8702 16.8702 17.1245 17.1245 17.5253 17.5253 17.9460 17.9460 20.6858 20.6858 21.3719 21.3719 21.8444 21.8444 23.0775 23.0775 k = 0.2971 0.2971-0.0000 ( 2722 PWs) bands (ev): -51.8723 -51.8723 -42.1187 -42.1187 -24.4748 -24.4748 -21.3354 -21.3354 -21.2766 -21.2766 -16.4512 -16.4512 -8.8737 -8.8737 -8.6582 -8.6582 14.3549 14.3549 15.4014 15.4014 16.8981 16.8981 17.0240 17.0240 17.5728 17.5728 17.9032 17.9032 20.6921 20.6921 21.3374 21.3374 21.8475 21.8475 22.9868 22.9868 k = 0.2899 0.2899-0.0000 ( 2718 PWs) bands (ev): -51.8726 -51.8726 -42.1194 -42.1194 -24.4737 -24.4737 -21.3326 -21.3326 -21.2762 -21.2762 -16.4493 -16.4493 -8.8657 -8.8657 -8.6567 -8.6567 14.3094 14.3094 15.4238 15.4238 16.8942 16.8942 16.9572 16.9572 17.6041 17.6041 17.8840 17.8840 20.7051 20.7051 21.3061 21.3061 21.8493 21.8493 22.9017 22.9017 k = 0.2826 0.2826-0.0000 ( 2722 PWs) bands (ev): -51.8728 -51.8728 -42.1201 -42.1201 -24.4727 -24.4727 -21.3299 -21.3299 -21.2758 -21.2758 -16.4474 -16.4474 -8.8575 -8.8575 -8.6550 -8.6550 14.2579 14.2579 15.4416 15.4416 16.8067 16.8067 16.9756 16.9756 17.6143 17.6143 17.8931 17.8931 20.7251 20.7251 21.2779 21.2779 21.8498 21.8498 22.8227 22.8227 k = 0.2754 0.2754-0.0000 ( 2732 PWs) bands (ev): -51.8731 -51.8731 -42.1209 -42.1209 -24.4717 -24.4717 -21.3272 -21.3272 -21.2754 -21.2754 -16.4454 -16.4454 -8.8491 -8.8491 -8.6533 -8.6533 14.2008 14.2008 15.4546 15.4546 16.7086 16.7086 17.0067 17.0067 17.6081 17.6081 17.9252 17.9252 20.7526 20.7526 21.2531 21.2531 21.8493 21.8493 22.7504 22.7504 k = 0.2681 0.2681-0.0000 ( 2732 PWs) bands (ev): -51.8734 -51.8734 -42.1216 -42.1216 -24.4707 -24.4707 -21.3245 -21.3245 -21.2749 -21.2749 -16.4433 -16.4433 -8.8406 -8.8406 -8.6515 -8.6515 14.1381 14.1381 15.4626 15.4626 16.6105 16.6105 17.0395 17.0395 17.5951 17.5951 17.9697 17.9697 20.7877 20.7877 21.2319 21.2319 21.8480 21.8480 22.6856 22.6856 k = 0.2609 0.2609-0.0000 ( 2728 PWs) bands (ev): -51.8737 -51.8737 -42.1223 -42.1223 -24.4697 -24.4697 -21.3218 -21.3218 -21.2745 -21.2745 -16.4411 -16.4411 -8.8318 -8.8318 -8.6496 -8.6496 14.0703 14.0703 15.4656 15.4656 16.5136 16.5136 17.0731 17.0731 17.5821 17.5821 18.0190 18.0190 20.8304 20.8304 21.2146 21.2146 21.8461 21.8461 22.6288 22.6288 k = 0.2536 0.2536-0.0000 ( 2736 PWs) bands (ev): -51.8740 -51.8740 -42.1230 -42.1230 -24.4688 -24.4688 -21.3192 -21.3192 -21.2741 -21.2741 -16.4388 -16.4388 -8.8229 -8.8229 -8.6476 -8.6476 13.9979 13.9979 15.4636 15.4636 16.4181 16.4181 17.1072 17.1072 17.5721 17.5721 18.0691 18.0691 20.8801 20.8801 21.2019 21.2019 21.8436 21.8436 22.5807 22.5807 k = 0.2464 0.2464-0.0000 ( 2736 PWs) bands (ev): -51.8743 -51.8743 -42.1237 -42.1237 -24.4678 -24.4678 -21.3165 -21.3165 -21.2737 -21.2737 -16.4365 -16.4365 -8.8139 -8.8139 -8.6455 -8.6455 13.9212 13.9212 15.4568 15.4568 16.3243 16.3243 17.1415 17.1415 17.5664 17.5664 18.1176 18.1176 20.9356 20.9356 21.1953 21.1953 21.8409 21.8409 22.5421 22.5421 k = 0.2391 0.2391-0.0000 ( 2730 PWs) bands (ev): -51.8746 -51.8746 -42.1244 -42.1244 -24.4668 -24.4668 -21.3139 -21.3139 -21.2733 -21.2733 -16.4342 -16.4342 -8.8047 -8.8047 -8.6434 -8.6434 13.8409 13.8409 15.4454 15.4454 16.2323 16.2323 17.1760 17.1760 17.5652 17.5652 18.1631 18.1631 20.9933 20.9933 21.1980 21.1980 21.8380 21.8380 22.5133 22.5133 k = 0.2319 0.2319-0.0000 ( 2734 PWs) bands (ev): -51.8749 -51.8749 -42.1251 -42.1251 -24.4659 -24.4659 -21.3114 -21.3114 -21.2730 -21.2730 -16.4317 -16.4317 -8.7955 -8.7955 -8.6412 -8.6412 13.7575 13.7575 15.4298 15.4298 16.1422 16.1422 17.2106 17.2106 17.5682 17.5682 18.2046 18.2046 21.0457 21.0457 21.2176 21.2176 21.8351 21.8351 22.4952 22.4952 k = 0.2246 0.2246-0.0000 ( 2734 PWs) bands (ev): -51.8752 -51.8752 -42.1258 -42.1258 -24.4649 -24.4649 -21.3088 -21.3088 -21.2726 -21.2726 -16.4293 -16.4293 -8.7861 -8.7861 -8.6390 -8.6390 13.6716 13.6716 15.4102 15.4102 16.0540 16.0540 17.2451 17.2451 17.5752 17.5752 18.2414 18.2414 21.0824 21.0824 21.2640 21.2640 21.8324 21.8324 22.4880 22.4880 k = 0.2174 0.2174-0.0000 ( 2734 PWs) bands (ev): -51.8755 -51.8755 -42.1265 -42.1265 -24.4640 -24.4640 -21.3064 -21.3064 -21.2723 -21.2723 -16.4268 -16.4268 -8.7767 -8.7767 -8.6367 -8.6367 13.5837 13.5837 15.3871 15.3871 15.9680 15.9680 17.2795 17.2795 17.5855 17.5855 18.2730 18.2730 21.1031 21.1031 21.3371 21.3371 21.8303 21.8303 22.4923 22.4923 k = 0.2101 0.2101-0.0000 ( 2740 PWs) bands (ev): -51.8758 -51.8758 -42.1272 -42.1272 -24.4632 -24.4632 -21.3040 -21.3040 -21.2719 -21.2719 -16.4243 -16.4243 -8.7672 -8.7672 -8.6344 -8.6344 13.4945 13.4945 15.3608 15.3608 15.8840 15.8840 17.3137 17.3137 17.5986 17.5986 18.2991 18.2991 21.1164 21.1164 21.4273 21.4273 21.8293 21.8293 22.5083 22.5083 k = 0.2029 0.2029-0.0000 ( 2740 PWs) bands (ev): -51.8761 -51.8761 -42.1279 -42.1279 -24.4623 -24.4623 -21.3017 -21.3017 -21.2716 -21.2716 -16.4217 -16.4217 -8.7578 -8.7578 -8.6320 -8.6320 13.4043 13.4043 15.3319 15.3319 15.8023 15.8023 17.3476 17.3476 17.6141 17.6141 18.3195 18.3195 21.1279 21.1279 21.5272 21.5272 21.8307 21.8307 22.5362 22.5362 k = 0.1957 0.1957-0.0000 ( 2738 PWs) bands (ev): -51.8764 -51.8764 -42.1285 -42.1285 -24.4615 -24.4615 -21.2994 -21.2994 -21.2713 -21.2713 -16.4191 -16.4191 -8.7483 -8.7483 -8.6296 -8.6296 13.3138 13.3138 15.3006 15.3006 15.7229 15.7229 17.3811 17.3811 17.6313 17.6313 18.3343 18.3343 21.1401 21.1401 21.6298 21.6298 21.8387 21.8387 22.5761 22.5761 k = 0.1884 0.1884-0.0000 ( 2738 PWs) bands (ev): -51.8766 -51.8766 -42.1292 -42.1292 -24.4607 -24.4607 -21.2972 -21.2972 -21.2710 -21.2710 -16.4165 -16.4165 -8.7388 -8.7388 -8.6272 -8.6272 13.2234 13.2234 15.2675 15.2675 15.6458 15.6458 17.4141 17.4141 17.6498 17.6498 18.3436 18.3436 21.1541 21.1541 21.7181 21.7181 21.8686 21.8686 22.6278 22.6278 k = 0.1812 0.1812-0.0000 ( 2738 PWs) bands (ev): -51.8769 -51.8769 -42.1298 -42.1298 -24.4599 -24.4599 -21.2951 -21.2951 -21.2707 -21.2707 -16.4139 -16.4139 -8.7294 -8.7294 -8.6248 -8.6248 13.1335 13.1335 15.2328 15.2328 15.5711 15.5711 17.4466 17.4466 17.6692 17.6692 18.3476 18.3476 21.1702 21.1702 21.7627 21.7627 21.9487 21.9487 22.6911 22.6911 k = 0.1739 0.1739-0.0000 ( 2730 PWs) bands (ev): -51.8772 -51.8772 -42.1304 -42.1304 -24.4591 -24.4591 -21.2930 -21.2930 -21.2705 -21.2705 -16.4113 -16.4113 -8.7201 -8.7201 -8.6223 -8.6223 13.0445 13.0445 15.1970 15.1970 15.4989 15.4989 17.4785 17.4785 17.6890 17.6890 18.3467 18.3467 21.1887 21.1887 21.7761 21.7761 22.0658 22.0658 22.7657 22.7657 k = 0.1667 0.1667-0.0000 ( 2730 PWs) bands (ev): -51.8775 -51.8775 -42.1310 -42.1310 -24.4583 -24.4583 -21.2910 -21.2910 -21.2702 -21.2702 -16.4088 -16.4088 -8.7109 -8.7109 -8.6199 -8.6199 12.9569 12.9569 15.1605 15.1605 15.4292 15.4292 17.5096 17.5096 17.7090 17.7090 18.3414 18.3414 21.2096 21.2096 21.7798 21.7798 22.1977 22.1977 22.8511 22.8511 k = 0.1594 0.1594-0.0000 ( 2734 PWs) bands (ev): -51.8777 -51.8777 -42.1315 -42.1315 -24.4577 -24.4577 -21.2891 -21.2891 -21.2700 -21.2700 -16.4062 -16.4062 -8.7018 -8.7018 -8.6175 -8.6175 12.8709 12.8709 15.1235 15.1235 15.3620 15.3620 17.5399 17.5399 17.7288 17.7288 18.3322 18.3322 21.2327 21.2327 21.7804 21.7804 22.3372 22.3372 22.9467 22.9467 k = 0.1522 0.1522-0.0000 ( 2742 PWs) bands (ev): -51.8780 -51.8780 -42.1321 -42.1321 -24.4570 -24.4570 -21.2872 -21.2872 -21.2698 -21.2698 -16.4037 -16.4037 -8.6929 -8.6929 -8.6151 -8.6151 12.7869 12.7869 15.0864 15.0864 15.2975 15.2975 17.5693 17.5693 17.7482 17.7482 18.3196 18.3196 21.2580 21.2580 21.7798 21.7798 22.4817 22.4817 23.0520 23.0520 k = 0.1449 0.1449-0.0000 ( 2738 PWs) bands (ev): -51.8782 -51.8782 -42.1326 -42.1326 -24.4564 -24.4564 -21.2854 -21.2854 -21.2696 -21.2696 -16.4012 -16.4012 -8.6841 -8.6841 -8.6127 -8.6127 12.7051 12.7051 15.0494 15.0494 15.2357 15.2357 17.5977 17.5977 17.7669 17.7669 18.3043 18.3043 21.2852 21.2852 21.7787 21.7787 22.6300 22.6300 23.1660 23.1660 k = 0.1377 0.1377-0.0000 ( 2742 PWs) bands (ev): -51.8785 -51.8785 -42.1331 -42.1331 -24.4558 -24.4558 -21.2838 -21.2838 -21.2695 -21.2695 -16.3988 -16.3988 -8.6756 -8.6756 -8.6104 -8.6104 12.6259 12.6259 15.0128 15.0128 15.1766 15.1766 17.6250 17.6250 17.7848 17.7848 18.2868 18.2868 21.3142 21.3142 21.7775 21.7775 22.7812 22.7812 23.2882 23.2882 k = 0.1304 0.1304-0.0000 ( 2743 PWs) bands (ev): -51.8787 -51.8787 -42.1336 -42.1336 -24.4552 -24.4552 -21.2822 -21.2822 -21.2693 -21.2693 -16.3964 -16.3964 -8.6673 -8.6673 -8.6082 -8.6082 12.5495 12.5495 14.9768 14.9768 15.1203 15.1203 17.6512 17.6512 17.8018 17.8018 18.2678 18.2678 21.3446 21.3446 21.7762 21.7762 22.9348 22.9348 23.4176 23.4176 k = 0.1232 0.1232-0.0000 ( 2751 PWs) bands (ev): -51.8789 -51.8789 -42.1341 -42.1341 -24.4547 -24.4547 -21.2807 -21.2807 -21.2692 -21.2692 -16.3942 -16.3942 -8.6592 -8.6592 -8.6060 -8.6060 12.4761 12.4761 14.9418 14.9418 15.0667 15.0667 17.6760 17.6760 17.8176 17.8176 18.2477 18.2477 21.3763 21.3763 21.7750 21.7750 23.0901 23.0901 23.5531 23.5531 k = 0.1159 0.1159-0.0000 ( 2751 PWs) bands (ev): -51.8791 -51.8791 -42.1345 -42.1345 -24.4542 -24.4542 -21.2793 -21.2793 -21.2690 -21.2690 -16.3919 -16.3919 -8.6515 -8.6515 -8.6039 -8.6039 12.4058 12.4058 14.9078 14.9078 15.0160 15.0160 17.6995 17.6995 17.8321 17.8321 18.2271 18.2271 21.4088 21.4088 21.7739 21.7739 23.2469 23.2469 23.6939 23.6939 k = 0.1087 0.1087-0.0000 ( 2747 PWs) bands (ev): -51.8793 -51.8793 -42.1350 -42.1350 -24.4537 -24.4537 -21.2779 -21.2779 -21.2689 -21.2689 -16.3898 -16.3898 -8.6441 -8.6441 -8.6018 -8.6018 12.3390 12.3390 14.8750 14.8750 14.9682 14.9682 17.7216 17.7216 17.8453 17.8453 18.2066 18.2066 21.4419 21.4419 21.7730 21.7730 23.4046 23.4046 23.8386 23.8386 k = 0.1014 0.1014-0.0000 ( 2749 PWs) bands (ev): -51.8795 -51.8795 -42.1354 -42.1354 -24.4532 -24.4532 -21.2767 -21.2767 -21.2688 -21.2688 -16.3877 -16.3877 -8.6370 -8.6370 -8.5998 -8.5998 12.2758 12.2758 14.8437 14.8437 14.9233 14.9233 17.7422 17.7422 17.8569 17.8569 18.1866 18.1866 21.4752 21.4752 21.7722 21.7722 23.5629 23.5629 23.9861 23.9861 k = 0.0942 0.0942-0.0000 ( 2741 PWs) bands (ev): -51.8797 -51.8797 -42.1357 -42.1357 -24.4528 -24.4528 -21.2755 -21.2755 -21.2687 -21.2687 -16.3858 -16.3858 -8.6302 -8.6302 -8.5980 -8.5980 12.2162 12.2162 14.8140 14.8140 14.8814 14.8814 17.7612 17.7612 17.8669 17.8669 18.1678 18.1678 21.5084 21.5084 21.7715 21.7715 23.7213 23.7213 24.1349 24.1349 k = 0.0870 0.0870-0.0000 ( 2747 PWs) bands (ev): -51.8799 -51.8799 -42.1361 -42.1361 -24.4524 -24.4524 -21.2744 -21.2744 -21.2686 -21.2686 -16.3840 -16.3840 -8.6239 -8.6239 -8.5962 -8.5962 12.1606 12.1606 14.7859 14.7859 14.8424 14.8424 17.7787 17.7787 17.8751 17.8751 18.1504 18.1504 21.5410 21.5410 21.7710 21.7710 23.8795 23.8795 24.2835 24.2835 k = 0.0797 0.0797-0.0000 ( 2747 PWs) bands (ev): -51.8800 -51.8800 -42.1364 -42.1364 -24.4520 -24.4520 -21.2734 -21.2734 -21.2685 -21.2685 -16.3822 -16.3822 -8.6180 -8.6180 -8.5946 -8.5946 12.1089 12.1089 14.7597 14.7597 14.8064 14.8064 17.7945 17.7945 17.8814 17.8814 18.1350 18.1350 21.5728 21.5728 21.7706 21.7706 24.0369 24.0369 24.4302 24.4302 k = 0.0725 0.0725-0.0000 ( 2739 PWs) bands (ev): -51.8802 -51.8802 -42.1367 -42.1367 -24.4517 -24.4517 -21.2724 -21.2724 -21.2684 -21.2684 -16.3806 -16.3806 -8.6125 -8.6125 -8.5930 -8.5930 12.0614 12.0614 14.7354 14.7354 14.7735 14.7735 17.8087 17.8087 17.8856 17.8856 18.1218 18.1218 21.6033 21.6033 21.7703 21.7703 24.1926 24.1926 24.5729 24.5729 k = 0.0652 0.0652-0.0000 ( 2743 PWs) bands (ev): -51.8803 -51.8803 -42.1369 -42.1369 -24.4514 -24.4514 -21.2716 -21.2716 -21.2684 -21.2684 -16.3792 -16.3792 -8.6075 -8.6075 -8.5916 -8.5916 12.0180 12.0180 14.7132 14.7132 14.7437 14.7437 17.8213 17.8213 17.8879 17.8879 18.1111 18.1111 21.6322 21.6322 21.7701 21.7701 24.3459 24.3459 24.7092 24.7092 k = 0.0580 0.0580-0.0000 ( 2751 PWs) bands (ev): -51.8804 -51.8804 -42.1372 -42.1372 -24.4512 -24.4512 -21.2709 -21.2709 -21.2683 -21.2683 -16.3779 -16.3779 -8.6030 -8.6030 -8.5903 -8.5903 11.9790 11.9790 14.6931 14.6931 14.7169 14.7169 17.8324 17.8324 17.8883 17.8883 18.1029 18.1029 21.6591 21.6591 21.7700 21.7700 24.4956 24.4956 24.8360 24.8360 k = 0.0507 0.0507-0.0000 ( 2761 PWs) bands (ev): -51.8805 -51.8805 -42.1374 -42.1374 -24.4510 -24.4510 -21.2703 -21.2703 -21.2683 -21.2683 -16.3767 -16.3767 -8.5989 -8.5989 -8.5892 -8.5892 11.9444 11.9444 14.6752 14.6752 14.6932 14.6932 17.8420 17.8420 17.8871 17.8871 18.0969 18.0969 21.6837 21.6837 21.7699 21.7699 24.6401 24.6401 24.9498 24.9498 k = 0.0435 0.0435-0.0000 ( 2757 PWs) bands (ev): -51.8806 -51.8806 -42.1376 -42.1376 -24.4508 -24.4508 -21.2698 -21.2698 -21.2683 -21.2683 -16.3757 -16.3757 -8.5954 -8.5954 -8.5882 -8.5882 11.9143 11.9143 14.6595 14.6595 14.6727 14.6727 17.8501 17.8501 17.8848 17.8848 18.0929 18.0929 21.7057 21.7057 21.7699 21.7699 24.7775 24.7775 25.0464 25.0464 k = 0.0362 0.0362-0.0000 ( 2757 PWs) bands (ev): -51.8807 -51.8807 -42.1377 -42.1377 -24.4506 -24.4506 -21.2693 -21.2693 -21.2682 -21.2682 -16.3748 -16.3748 -8.5924 -8.5924 -8.5874 -8.5874 11.8887 11.8887 14.6462 14.6462 14.6552 14.6552 17.8568 17.8568 17.8819 17.8819 18.0904 18.0904 21.7248 21.7248 21.7699 21.7699 24.9051 24.9051 25.1227 25.1227 k = 0.0290 0.0290-0.0000 ( 2759 PWs) bands (ev): -51.8807 -51.8807 -42.1379 -42.1379 -24.4505 -24.4505 -21.2689 -21.2689 -21.2682 -21.2682 -16.3741 -16.3741 -8.5899 -8.5899 -8.5867 -8.5867 11.8677 11.8677 14.6352 14.6352 14.6410 14.6410 17.8622 17.8622 17.8788 17.8788 18.0891 18.0891 21.7408 21.7408 21.7699 21.7699 25.0195 25.0195 25.1781 25.1781 k = 0.0217 0.0217-0.0000 ( 2767 PWs) bands (ev): -51.8808 -51.8808 -42.1380 -42.1380 -24.4504 -24.4504 -21.2686 -21.2686 -21.2682 -21.2682 -16.3735 -16.3735 -8.5879 -8.5879 -8.5861 -8.5861 11.8513 11.8513 14.6266 14.6266 14.6299 14.6299 17.8664 17.8664 17.8759 17.8759 18.0884 18.0884 21.7534 21.7534 21.7699 21.7699 25.1166 25.1166 25.2154 25.2154 k = 0.0145 0.0145-0.0000 ( 2771 PWs) bands (ev): -51.8808 -51.8808 -42.1381 -42.1381 -24.4503 -24.4503 -21.2684 -21.2684 -21.2683 -21.2683 -16.3731 -16.3731 -8.5865 -8.5865 -8.5857 -8.5857 11.8395 11.8395 14.6205 14.6205 14.6219 14.6219 17.8693 17.8693 17.8736 17.8736 18.0882 18.0882 21.7626 21.7626 21.7699 21.7699 25.1914 25.1914 25.2387 25.2387 k = 0.0072 0.0072-0.0000 ( 2777 PWs) bands (ev): -51.8808 -51.8808 -42.1381 -42.1381 -24.4503 -24.4503 -21.2683 -21.2683 -21.2683 -21.2683 -16.3729 -16.3729 -8.5857 -8.5857 -8.5855 -8.5855 11.8325 11.8325 14.6168 14.6168 14.6172 14.6172 17.8710 17.8710 17.8721 17.8721 18.0882 18.0882 21.7681 21.7681 21.7700 21.7700 25.2389 25.2389 25.2512 25.2512 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -51.8809 -51.8809 -42.1381 -42.1381 -24.4503 -24.4503 -21.2683 -21.2683 -21.2683 -21.2683 -16.3728 -16.3728 -8.5854 -8.5854 -8.5854 -8.5854 11.8301 11.8301 14.6156 14.6156 14.6156 14.6156 17.8716 17.8716 17.8716 17.8716 18.0882 18.0882 21.7700 21.7700 21.7700 21.7700 25.2552 25.2552 25.2552 25.2552 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -51.8809 -51.8809 -42.1381 -42.1381 -24.4503 -24.4503 -21.2683 -21.2683 -21.2683 -21.2683 -16.3728 -16.3728 -8.5854 -8.5854 -8.5854 -8.5854 11.8301 11.8301 14.6156 14.6156 14.6156 14.6156 17.8716 17.8716 17.8716 17.8716 18.0882 18.0882 21.7700 21.7700 21.7700 21.7700 25.2552 25.2552 25.2552 25.2552 k = 0.0059 0.0059 0.0059 ( 2777 PWs) bands (ev): -51.8808 -51.8808 -42.1381 -42.1381 -24.4503 -24.4503 -21.2683 -21.2683 -21.2683 -21.2683 -16.3729 -16.3729 -8.5856 -8.5856 -8.5855 -8.5855 11.8325 11.8325 14.6169 14.6169 14.6170 14.6170 17.8710 17.8710 17.8722 17.8722 18.0882 18.0882 21.7690 21.7690 21.7691 21.7691 25.2388 25.2388 25.2516 25.2516 k = 0.0118 0.0118 0.0118 ( 2770 PWs) bands (ev): -51.8808 -51.8808 -42.1381 -42.1381 -24.4503 -24.4503 -21.2684 -21.2684 -21.2683 -21.2683 -16.3731 -16.3731 -8.5863 -8.5863 -8.5860 -8.5860 11.8394 11.8394 14.6210 14.6210 14.6213 14.6213 17.8691 17.8691 17.8738 17.8738 18.0882 18.0882 21.7661 21.7661 21.7665 21.7665 25.1903 25.1903 25.2407 25.2407 k = 0.0176 0.0176 0.0176 ( 2764 PWs) bands (ev): -51.8808 -51.8808 -42.1380 -42.1380 -24.4504 -24.4504 -21.2685 -21.2685 -21.2683 -21.2683 -16.3735 -16.3735 -8.5873 -8.5873 -8.5867 -8.5867 11.8510 11.8510 14.6277 14.6277 14.6285 14.6285 17.8660 17.8660 17.8762 17.8762 18.0885 18.0885 21.7614 21.7614 21.7622 21.7622 25.1121 25.1121 25.2227 25.2227 k = 0.0235 0.0235 0.0235 ( 2764 PWs) bands (ev): -51.8807 -51.8807 -42.1379 -42.1379 -24.4505 -24.4505 -21.2687 -21.2687 -21.2684 -21.2684 -16.3740 -16.3740 -8.5888 -8.5888 -8.5876 -8.5876 11.8672 11.8672 14.6372 14.6372 14.6385 14.6385 17.8616 17.8616 17.8791 17.8791 18.0893 18.0893 21.7548 21.7548 21.7563 21.7563 25.0080 25.0080 25.1979 25.1979 k = 0.0294 0.0294 0.0294 ( 2764 PWs) bands (ev): -51.8807 -51.8807 -42.1378 -42.1378 -24.4506 -24.4506 -21.2690 -21.2690 -21.2686 -21.2686 -16.3748 -16.3748 -8.5908 -8.5908 -8.5889 -8.5889 11.8880 11.8880 14.6493 14.6493 14.6514 14.6514 17.8560 17.8560 17.8819 17.8819 18.0910 18.0910 21.7466 21.7466 21.7489 21.7489 24.8822 24.8822 25.1667 25.1667 k = 0.0353 0.0353 0.0353 ( 2764 PWs) bands (ev): -51.8806 -51.8806 -42.1376 -42.1376 -24.4508 -24.4508 -21.2693 -21.2693 -21.2688 -21.2688 -16.3756 -16.3756 -8.5931 -8.5931 -8.5904 -8.5904 11.9133 11.9133 14.6641 14.6641 14.6670 14.6670 17.8491 17.8491 17.8842 17.8842 18.0941 18.0941 21.7368 21.7368 21.7402 21.7402 24.7394 24.7394 25.1294 25.1294 k = 0.0412 0.0412 0.0412 ( 2767 PWs) bands (ev): -51.8805 -51.8805 -42.1374 -42.1374 -24.4510 -24.4510 -21.2697 -21.2697 -21.2690 -21.2690 -16.3767 -16.3767 -8.5958 -8.5958 -8.5922 -8.5922 11.9431 11.9431 14.6815 14.6815 14.6855 14.6855 17.8408 17.8408 17.8851 17.8851 18.0992 18.0992 21.7256 21.7256 21.7302 21.7302 24.5833 24.5833 25.0865 25.0865 k = 0.0471 0.0471 0.0471 ( 2755 PWs) bands (ev): -51.8804 -51.8804 -42.1372 -42.1372 -24.4512 -24.4512 -21.2701 -21.2701 -21.2692 -21.2692 -16.3778 -16.3778 -8.5989 -8.5989 -8.5942 -8.5942 11.9773 11.9773 14.7015 14.7015 14.7067 14.7067 17.8313 17.8313 17.8840 17.8840 18.1068 18.1068 21.7133 21.7133 21.7192 21.7192 24.4175 24.4175 25.0385 25.0385 k = 0.0529 0.0529 0.0529 ( 2743 PWs) bands (ev): -51.8803 -51.8803 -42.1369 -42.1369 -24.4514 -24.4514 -21.2706 -21.2706 -21.2694 -21.2694 -16.3791 -16.3791 -8.6023 -8.6023 -8.5965 -8.5965 12.0158 12.0158 14.7240 14.7240 14.7306 14.7306 17.8204 17.8204 17.8803 17.8803 18.1171 18.1171 21.6999 21.6999 21.7073 21.7073 24.2447 24.2447 24.9860 24.9860 k = 0.0588 0.0588 0.0588 ( 2749 PWs) bands (ev): -51.8802 -51.8802 -42.1367 -42.1367 -24.4517 -24.4517 -21.2712 -21.2712 -21.2698 -21.2698 -16.3806 -16.3806 -8.6061 -8.6061 -8.5991 -8.5991 12.0586 12.0586 14.7492 14.7492 14.7572 14.7572 17.8082 17.8082 17.8738 17.8738 18.1302 18.1302 21.6857 21.6857 21.6949 21.6949 24.0674 24.0674 24.9292 24.9292 k = 0.0647 0.0647 0.0647 ( 2743 PWs) bands (ev): -51.8800 -51.8800 -42.1364 -42.1364 -24.4520 -24.4520 -21.2718 -21.2718 -21.2701 -21.2701 -16.3821 -16.3821 -8.6103 -8.6103 -8.6019 -8.6019 12.1056 12.1056 14.7768 14.7768 14.7864 14.7864 17.7947 17.7947 17.8643 17.8643 18.1460 18.1460 21.6710 21.6710 21.6820 21.6820 23.8875 23.8875 24.8689 24.8689 k = 0.0706 0.0706 0.0706 ( 2749 PWs) bands (ev): -51.8799 -51.8799 -42.1361 -42.1361 -24.4524 -24.4524 -21.2724 -21.2724 -21.2706 -21.2706 -16.3838 -16.3838 -8.6147 -8.6147 -8.6050 -8.6050 12.1567 12.1567 14.8068 14.8068 14.8183 14.8183 17.7798 17.7798 17.8519 17.8519 18.1640 18.1640 21.6560 21.6560 21.6688 21.6688 23.7069 23.7069 24.8053 24.8053 k = 0.0765 0.0765 0.0765 ( 2749 PWs) bands (ev): -51.8797 -51.8797 -42.1357 -42.1357 -24.4528 -24.4528 -21.2732 -21.2732 -21.2711 -21.2711 -16.3856 -16.3856 -8.6195 -8.6195 -8.6084 -8.6084 12.2118 12.2118 14.8393 14.8393 14.8526 14.8526 17.7635 17.7635 17.8367 17.8367 18.1836 18.1836 21.6408 21.6408 21.6557 21.6557 23.5272 23.5272 24.7390 24.7390 k = 0.0824 0.0824 0.0824 ( 2743 PWs) bands (ev): -51.8795 -51.8795 -42.1353 -42.1353 -24.4532 -24.4532 -21.2739 -21.2739 -21.2716 -21.2716 -16.3876 -16.3876 -8.6245 -8.6245 -8.6120 -8.6120 12.2708 12.2708 14.8741 14.8741 14.8894 14.8894 17.7459 17.7459 17.8189 17.8189 18.2042 18.2042 21.6258 21.6258 21.6428 21.6428 23.3500 23.3500 24.6704 24.6704 k = 0.0882 0.0882 0.0882 ( 2740 PWs) bands (ev): -51.8793 -51.8793 -42.1349 -42.1349 -24.4537 -24.4537 -21.2747 -21.2747 -21.2722 -21.2722 -16.3896 -16.3896 -8.6297 -8.6297 -8.6158 -8.6158 12.3335 12.3335 14.9112 14.9112 14.9286 14.9286 17.7268 17.7268 17.7988 17.7988 18.2251 18.2251 21.6112 21.6112 21.6303 21.6303 23.1767 23.1767 24.5997 24.5997 k = 0.0941 0.0941 0.0941 ( 2740 PWs) bands (ev): -51.8791 -51.8791 -42.1345 -42.1345 -24.4542 -24.4542 -21.2756 -21.2756 -21.2729 -21.2729 -16.3917 -16.3917 -8.6352 -8.6352 -8.6198 -8.6198 12.3999 12.3999 14.9505 14.9505 14.9702 14.9702 17.7065 17.7065 17.7764 17.7764 18.2453 18.2453 21.5973 21.5973 21.6183 21.6183 23.0087 23.0087 24.5274 24.5274 k = 0.1000 0.1000 0.1000 ( 2752 PWs) bands (ev): -51.8789 -51.8789 -42.1341 -42.1341 -24.4548 -24.4548 -21.2766 -21.2766 -21.2736 -21.2736 -16.3940 -16.3940 -8.6409 -8.6409 -8.6241 -8.6241 12.4698 12.4698 14.9920 14.9920 15.0139 15.0139 17.6847 17.6847 17.7519 17.7519 18.2641 18.2641 21.5841 21.5841 21.6071 21.6071 22.8476 22.8476 24.4537 24.4537 k = 0.1059 0.1059 0.1059 ( 2731 PWs) bands (ev): -51.8787 -51.8787 -42.1336 -42.1336 -24.4552 -24.4552 -21.2775 -21.2775 -21.2743 -21.2743 -16.3962 -16.3962 -8.6468 -8.6468 -8.6286 -8.6286 12.5431 12.5431 15.0356 15.0356 15.0599 15.0599 17.6617 17.6617 17.7255 17.7255 18.2806 18.2806 21.5721 21.5721 21.5967 21.5967 22.6947 22.6947 24.3790 24.3790 k = 0.1118 0.1118 0.1118 ( 2731 PWs) bands (ev): -51.8784 -51.8784 -42.1330 -42.1330 -24.4559 -24.4559 -21.2785 -21.2785 -21.2752 -21.2752 -16.3986 -16.3986 -8.6528 -8.6528 -8.6333 -8.6333 12.6197 12.6197 15.0813 15.0813 15.1080 15.1080 17.6374 17.6374 17.6972 17.6972 18.2936 18.2936 21.5612 21.5612 21.5873 21.5873 22.5516 22.5516 24.3035 24.3035 k = 0.1176 0.1176 0.1176 ( 2725 PWs) bands (ev): -51.8782 -51.8782 -42.1325 -42.1325 -24.4565 -24.4565 -21.2795 -21.2795 -21.2761 -21.2761 -16.4010 -16.4010 -8.6590 -8.6590 -8.6383 -8.6383 12.6994 12.6994 15.1288 15.1288 15.1580 15.1580 17.6118 17.6118 17.6673 17.6673 18.3022 18.3022 21.5518 21.5518 21.5788 21.5788 22.4199 22.4199 24.2275 24.2275 k = 0.1235 0.1235 0.1235 ( 2725 PWs) bands (ev): -51.8779 -51.8779 -42.1319 -42.1319 -24.4572 -24.4572 -21.2806 -21.2806 -21.2771 -21.2771 -16.4035 -16.4035 -8.6653 -8.6653 -8.6434 -8.6434 12.7821 12.7821 15.1782 15.1782 15.2099 15.2099 17.5850 17.5850 17.6358 17.6358 18.3052 18.3052 21.5440 21.5440 21.5714 21.5714 22.3011 22.3011 24.1512 24.1512 k = 0.1294 0.1294 0.1294 ( 2737 PWs) bands (ev): -51.8777 -51.8777 -42.1314 -42.1314 -24.4579 -24.4579 -21.2818 -21.2818 -21.2782 -21.2782 -16.4061 -16.4061 -8.6717 -8.6717 -8.6487 -8.6487 12.8676 12.8676 15.2294 15.2294 15.2637 15.2637 17.5572 17.5572 17.6028 17.6028 18.3016 18.3016 21.5380 21.5380 21.5649 21.5649 22.1967 22.1967 24.0747 24.0748 k = 0.1353 0.1353 0.1353 ( 2731 PWs) bands (ev): -51.8774 -51.8774 -42.1308 -42.1308 -24.4587 -24.4587 -21.2830 -21.2830 -21.2793 -21.2793 -16.4087 -16.4087 -8.6782 -8.6782 -8.6542 -8.6542 12.9559 12.9559 15.2822 15.2822 15.3191 15.3191 17.5282 17.5282 17.5684 17.5684 18.2904 18.2904 21.5337 21.5337 21.5595 21.5595 22.1081 22.1081 23.9816 23.9816 k = 0.1412 0.1412 0.1412 ( 2737 PWs) bands (ev): -51.8771 -51.8771 -42.1301 -42.1301 -24.4595 -24.4595 -21.2842 -21.2842 -21.2805 -21.2805 -16.4114 -16.4114 -8.6847 -8.6847 -8.6599 -8.6599 13.0466 13.0466 15.3366 15.3366 15.3761 15.3761 17.4983 17.4983 17.5329 17.5329 18.2708 18.2708 21.5314 21.5314 21.5552 21.5552 22.0363 22.0363 23.8938 23.8938 k = 0.1471 0.1471 0.1471 ( 2737 PWs) bands (ev): -51.8768 -51.8768 -42.1295 -42.1295 -24.4603 -24.4603 -21.2855 -21.2855 -21.2818 -21.2818 -16.4141 -16.4141 -8.6913 -8.6913 -8.6658 -8.6658 13.1398 13.1398 15.3925 15.3925 15.4346 15.4346 17.4674 17.4674 17.4961 17.4961 18.2421 18.2421 21.5311 21.5311 21.5522 21.5522 21.9820 21.9820 23.8070 23.8070 k = 0.1529 0.1529 0.1529 ( 2731 PWs) bands (ev): -51.8765 -51.8765 -42.1288 -42.1288 -24.4611 -24.4611 -21.2867 -21.2867 -21.2831 -21.2831 -16.4168 -16.4168 -8.6979 -8.6979 -8.6718 -8.6718 13.2351 13.2351 15.4498 15.4498 15.4944 15.4944 17.4358 17.4358 17.4584 17.4584 18.2041 18.2041 21.5327 21.5327 21.5512 21.5512 21.9451 21.9451 23.7215 23.7215 k = 0.1588 0.1588 0.1588 ( 2731 PWs) bands (ev): -51.8762 -51.8762 -42.1281 -42.1281 -24.4620 -24.4620 -21.2880 -21.2880 -21.2846 -21.2846 -16.4195 -16.4195 -8.7045 -8.7045 -8.6780 -8.6780 13.3326 13.3326 15.5083 15.5083 15.5554 15.5554 17.4034 17.4034 17.4198 17.4198 18.1566 18.1566 21.5364 21.5364 21.5530 21.5530 21.9249 21.9249 23.6374 23.6374 k = 0.1647 0.1647 0.1647 ( 2731 PWs) bands (ev): -51.8759 -51.8759 -42.1274 -42.1274 -24.4629 -24.4629 -21.2894 -21.2894 -21.2861 -21.2861 -16.4223 -16.4223 -8.7111 -8.7111 -8.6844 -8.6844 13.4319 13.4319 15.5679 15.5679 15.6175 15.6175 17.3705 17.3705 17.3804 17.3804 18.1001 18.1001 21.5421 21.5421 21.5584 21.5584 21.9204 21.9204 23.5549 23.5549 k = 0.1706 0.1706 0.1706 ( 2731 PWs) bands (ev): -51.8756 -51.8756 -42.1266 -42.1266 -24.4639 -24.4639 -21.2908 -21.2908 -21.2876 -21.2876 -16.4251 -16.4251 -8.7177 -8.7177 -8.6908 -8.6908 13.5331 13.5331 15.6286 15.6286 15.6806 15.6806 17.3371 17.3371 17.3404 17.3404 18.0353 18.0353 21.5497 21.5497 21.5678 21.5678 21.9306 21.9306 23.4742 23.4742 k = 0.1765 0.1765 0.1765 ( 2731 PWs) bands (ev): -51.8753 -51.8753 -42.1259 -42.1259 -24.4649 -24.4649 -21.2921 -21.2921 -21.2892 -21.2892 -16.4279 -16.4279 -8.7243 -8.7243 -8.6974 -8.6974 13.6358 13.6358 15.6902 15.6902 15.7445 15.7445 17.2998 17.2998 17.3033 17.3033 17.9630 17.9630 21.5590 21.5590 21.5811 21.5811 21.9545 21.9545 23.3956 23.3956 k = 0.1824 0.1824 0.1824 ( 2731 PWs) bands (ev): -51.8750 -51.8750 -42.1251 -42.1251 -24.4659 -24.4659 -21.2936 -21.2936 -21.2909 -21.2909 -16.4308 -16.4308 -8.7308 -8.7308 -8.7042 -8.7042 13.7399 13.7399 15.7525 15.7525 15.8091 15.8091 17.2588 17.2588 17.2693 17.2693 17.8843 17.8843 21.5699 21.5699 21.5979 21.5979 21.9913 21.9913 23.3194 23.3194 k = 0.1882 0.1882 0.1882 ( 2731 PWs) bands (ev): -51.8746 -51.8746 -42.1243 -42.1243 -24.4669 -24.4669 -21.2950 -21.2950 -21.2926 -21.2926 -16.4336 -16.4336 -8.7373 -8.7373 -8.7110 -8.7110 13.8452 13.8452 15.8156 15.8156 15.8742 15.8742 17.2175 17.2175 17.2352 17.2352 17.8005 17.8005 21.5821 21.5821 21.6172 21.6172 22.0406 22.0406 23.2460 23.2460 k = 0.1941 0.1941 0.1941 ( 2731 PWs) bands (ev): -51.8743 -51.8743 -42.1235 -42.1235 -24.4680 -24.4680 -21.2965 -21.2965 -21.2944 -21.2944 -16.4365 -16.4365 -8.7438 -8.7438 -8.7180 -8.7180 13.9517 13.9517 15.8791 15.8791 15.9398 15.9398 17.1759 17.1759 17.2011 17.2011 17.7128 17.7128 21.5953 21.5953 21.6381 21.6381 22.1017 22.1017 23.1761 23.1761 k = 0.2000 0.2000 0.2000 ( 2731 PWs) bands (ev): -51.8740 -51.8740 -42.1227 -42.1227 -24.4691 -24.4691 -21.2979 -21.2979 -21.2963 -21.2963 -16.4394 -16.4394 -8.7502 -8.7502 -8.7250 -8.7250 14.0590 14.0590 15.9431 15.9431 16.0056 16.0056 17.1340 17.1340 17.1672 17.1672 17.6225 17.6225 21.6091 21.6091 21.6595 21.6595 22.1735 22.1735 23.1103 23.1103 k = 0.2059 0.2059 0.2059 ( 2737 PWs) bands (ev): -51.8736 -51.8736 -42.1218 -42.1218 -24.4702 -24.4702 -21.2994 -21.2994 -21.2982 -21.2982 -16.4423 -16.4423 -8.7566 -8.7566 -8.7321 -8.7321 14.1670 14.1670 16.0074 16.0074 16.0715 16.0715 17.0920 17.0920 17.1335 17.1335 17.5308 17.5308 21.6229 21.6229 21.6804 21.6804 22.2550 22.2550 23.0498 23.0498 k = 0.2118 0.2118 0.2118 ( 2737 PWs) bands (ev): -51.8733 -51.8733 -42.1210 -42.1210 -24.4713 -24.4713 -21.3009 -21.3009 -21.3001 -21.3001 -16.4452 -16.4452 -8.7629 -8.7629 -8.7393 -8.7393 14.2755 14.2755 16.0718 16.0718 16.1373 16.1373 17.0498 17.0498 17.1002 17.1002 17.4390 17.4390 21.6362 21.6362 21.7000 21.7000 22.3444 22.3444 22.9964 22.9964 k = 0.2176 0.2176 0.2176 ( 2731 PWs) bands (ev): -51.8729 -51.8729 -42.1201 -42.1201 -24.4725 -24.4725 -21.3024 -21.3024 -21.3020 -21.3020 -16.4481 -16.4481 -8.7692 -8.7692 -8.7466 -8.7466 14.3843 14.3843 16.1362 16.1362 16.2029 16.2029 17.0072 17.0072 17.0675 17.0675 17.3483 17.3483 21.6481 21.6481 21.7172 21.7172 22.4387 22.4387 22.9529 22.9529 k = 0.2235 0.2235 0.2235 ( 2737 PWs) bands (ev): -51.8726 -51.8726 -42.1192 -42.1192 -24.4736 -24.4736 -21.3040 -21.3040 -21.3039 -21.3039 -16.4511 -16.4511 -8.7754 -8.7754 -8.7539 -8.7539 14.4930 14.4930 16.2006 16.2006 16.2682 16.2682 16.9640 16.9640 17.0354 17.0354 17.2600 17.2600 21.6579 21.6579 21.7308 21.7308 22.5328 22.5328 22.9247 22.9247 k = 0.2294 0.2294 0.2294 ( 2743 PWs) bands (ev): -51.8722 -51.8722 -42.1183 -42.1183 -24.4748 -24.4748 -21.3060 -21.3060 -21.3054 -21.3054 -16.4540 -16.4540 -8.7816 -8.7816 -8.7613 -8.7613 14.6016 14.6016 16.2647 16.2647 16.3330 16.3330 16.9199 16.9199 17.0042 17.0042 17.1754 17.1754 21.6647 21.6647 21.7396 21.7396 22.6158 22.6158 22.9233 22.9233 k = 0.2353 0.2353 0.2353 ( 2737 PWs) bands (ev): -51.8719 -51.8719 -42.1174 -42.1174 -24.4760 -24.4760 -21.3080 -21.3080 -21.3069 -21.3069 -16.4570 -16.4570 -8.7877 -8.7877 -8.7687 -8.7687 14.7095 14.7095 16.3284 16.3284 16.3970 16.3970 16.8742 16.8742 16.9739 16.9739 17.0959 17.0959 21.6674 21.6674 21.7423 21.7423 22.6715 22.6715 22.9654 22.9654 k = 0.2412 0.2412 0.2412 ( 2737 PWs) bands (ev): -51.8715 -51.8715 -42.1165 -42.1165 -24.4772 -24.4772 -21.3100 -21.3100 -21.3084 -21.3084 -16.4599 -16.4599 -8.7938 -8.7938 -8.7762 -8.7762 14.8166 14.8166 16.3917 16.3917 16.4601 16.4601 16.8263 16.8263 16.9448 16.9448 17.0233 17.0233 21.6651 21.6651 21.7376 21.7376 22.6987 22.6987 22.9555 22.9555 k = 0.2471 0.2471 0.2471 ( 2737 PWs) bands (ev): -51.8712 -51.8712 -42.1156 -42.1156 -24.4784 -24.4784 -21.3120 -21.3120 -21.3099 -21.3099 -16.4629 -16.4629 -8.7999 -8.7999 -8.7836 -8.7836 14.9223 14.9223 16.4545 16.4545 16.5220 16.5220 16.7757 16.7757 16.9171 16.9171 16.9587 16.9587 21.6571 21.6571 21.7248 21.7248 22.7144 22.7144 22.9475 22.9475 k = 0.2529 0.2529 0.2529 ( 2737 PWs) bands (ev): -51.8708 -51.8708 -42.1147 -42.1147 -24.4796 -24.4796 -21.3140 -21.3140 -21.3114 -21.3114 -16.4659 -16.4659 -8.8059 -8.8059 -8.7911 -8.7911 15.0262 15.0262 16.5165 16.5165 16.5821 16.5821 16.7228 16.7228 16.8913 16.8913 16.9026 16.9026 21.6428 21.6428 21.7036 21.7036 22.7315 22.7315 22.9495 22.9495 k = 0.2588 0.2588 0.2588 ( 2737 PWs) bands (ev): -51.8705 -51.8705 -42.1138 -42.1138 -24.4808 -24.4808 -21.3160 -21.3160 -21.3129 -21.3129 -16.4690 -16.4690 -8.8118 -8.8118 -8.7986 -8.7986 15.1275 15.1275 16.5777 16.5777 16.6396 16.6396 16.6693 16.6693 16.8544 16.8544 16.8683 16.8683 21.6221 21.6221 21.6742 21.6742 22.7553 22.7553 22.9616 22.9616 k = 0.2647 0.2647 0.2647 ( 2731 PWs) bands (ev): -51.8702 -51.8702 -42.1129 -42.1129 -24.4820 -24.4820 -21.3179 -21.3179 -21.3144 -21.3144 -16.4720 -16.4720 -8.8178 -8.8178 -8.8060 -8.8060 15.2256 15.2256 16.6173 16.6173 16.6381 16.6381 16.6919 16.6919 16.8129 16.8129 16.8506 16.8506 21.5949 21.5949 21.6374 21.6374 22.7875 22.7875 22.9837 22.9837 k = 0.2706 0.2706 0.2706 ( 2737 PWs) bands (ev): -51.8698 -51.8698 -42.1120 -42.1120 -24.4832 -24.4832 -21.3199 -21.3199 -21.3158 -21.3158 -16.4751 -16.4751 -8.8237 -8.8237 -8.8135 -8.8135 15.3193 15.3193 16.5694 16.5694 16.6975 16.6975 16.7316 16.7316 16.7768 16.7768 16.8456 16.8456 21.5617 21.5617 21.5941 21.5941 22.8281 22.8281 23.0154 23.0154 k = 0.2765 0.2765 0.2765 ( 2737 PWs) bands (ev): -51.8695 -51.8695 -42.1111 -42.1111 -24.4844 -24.4844 -21.3218 -21.3218 -21.3173 -21.3173 -16.4781 -16.4781 -8.8296 -8.8296 -8.8209 -8.8209 15.4073 15.4073 16.5277 16.5277 16.7450 16.7450 16.7458 16.7458 16.7561 16.7561 16.8663 16.8663 21.5230 21.5230 21.5454 21.5454 22.8766 22.8766 23.0560 23.0560 k = 0.2824 0.2824 0.2824 ( 2737 PWs) bands (ev): -51.8691 -51.8691 -42.1102 -42.1102 -24.4856 -24.4856 -21.3236 -21.3236 -21.3188 -21.3188 -16.4812 -16.4812 -8.8355 -8.8355 -8.8283 -8.8283 15.4881 15.4881 16.4941 16.4941 16.7182 16.7182 16.7392 16.7392 16.8131 16.8131 16.9077 16.9077 21.4793 21.4793 21.4923 21.4923 22.9322 22.9322 23.1048 23.1048 k = 0.2882 0.2882 0.2882 ( 2737 PWs) bands (ev): -51.8688 -51.8688 -42.1093 -42.1093 -24.4868 -24.4868 -21.3254 -21.3254 -21.3202 -21.3202 -16.4844 -16.4844 -8.8414 -8.8414 -8.8356 -8.8356 15.5599 15.5599 16.4701 16.4701 16.6959 16.6959 16.7254 16.7254 16.8691 16.8691 16.9564 16.9564 21.4315 21.4315 21.4357 21.4357 22.9943 22.9943 23.1611 23.1611 k = 0.2941 0.2941 0.2941 ( 2737 PWs) bands (ev): -51.8685 -51.8685 -42.1084 -42.1084 -24.4879 -24.4879 -21.3272 -21.3272 -21.3216 -21.3216 -16.4875 -16.4875 -8.8472 -8.8472 -8.8429 -8.8429 15.6209 15.6209 16.4565 16.4565 16.6794 16.6794 16.7099 16.7099 16.9238 16.9238 17.0066 17.0066 21.3763 21.3763 21.3801 21.3801 23.0621 23.0621 23.2242 23.2242 k = 0.3000 0.3000 0.3000 ( 2737 PWs) bands (ev): -51.8681 -51.8681 -42.1075 -42.1075 -24.4891 -24.4891 -21.3289 -21.3289 -21.3230 -21.3230 -16.4907 -16.4907 -8.8531 -8.8531 -8.8501 -8.8501 15.6698 15.6698 16.4523 16.4523 16.6707 16.6707 16.6947 16.6947 16.9773 16.9773 17.0567 17.0567 21.3149 21.3149 21.3256 21.3256 23.1349 23.1349 23.2933 23.2933 k = 0.3059 0.3059 0.3059 ( 2737 PWs) bands (ev): -51.8678 -51.8678 -42.1066 -42.1066 -24.4902 -24.4902 -21.3305 -21.3305 -21.3244 -21.3244 -16.4938 -16.4938 -8.8589 -8.8589 -8.8572 -8.8572 15.7065 15.7065 16.4545 16.4545 16.6731 16.6731 16.6803 16.6803 17.0294 17.0294 17.1059 17.1059 21.2518 21.2518 21.2687 21.2687 23.2123 23.2123 23.3678 23.3678 k = 0.3118 0.3118 0.3118 ( 2728 PWs) bands (ev): -51.8675 -51.8675 -42.1057 -42.1057 -24.4912 -24.4912 -21.3321 -21.3321 -21.3257 -21.3257 -16.4970 -16.4970 -8.8647 -8.8647 -8.8642 -8.8642 15.7322 15.7322 16.4580 16.4580 16.6671 16.6671 16.6902 16.6902 17.0802 17.0802 17.1538 17.1538 21.1876 21.1876 21.2098 21.2098 23.2939 23.2939 23.4472 23.4472 k = 0.3176 0.3176 0.3176 ( 2728 PWs) bands (ev): -51.8672 -51.8672 -42.1049 -42.1049 -24.4923 -24.4923 -21.3336 -21.3336 -21.3270 -21.3270 -16.5002 -16.5002 -8.8712 -8.8712 -8.8706 -8.8706 15.7491 15.7491 16.4589 16.4589 16.6552 16.6552 16.7236 16.7236 17.1296 17.1296 17.2005 17.2005 21.1226 21.1226 21.1493 21.1493 23.3791 23.3791 23.5308 23.5308 k = 0.3235 0.3235 0.3235 ( 2731 PWs) bands (ev): -51.8669 -51.8669 -42.1040 -42.1040 -24.4934 -24.4934 -21.3350 -21.3350 -21.3283 -21.3283 -16.5034 -16.5034 -8.8780 -8.8780 -8.8764 -8.8764 15.7599 15.7599 16.4559 16.4559 16.6446 16.6446 16.7716 16.7716 17.1776 17.1776 17.2456 17.2456 21.0570 21.0570 21.0876 21.0876 23.4677 23.4677 23.6183 23.6183 k = 0.3294 0.3294 0.3294 ( 2731 PWs) bands (ev): -51.8666 -51.8666 -42.1032 -42.1032 -24.4944 -24.4944 -21.3364 -21.3364 -21.3296 -21.3296 -16.5066 -16.5066 -8.8847 -8.8847 -8.8822 -8.8822 15.7671 15.7671 16.4501 16.4501 16.6355 16.6355 16.8303 16.8303 17.2243 17.2243 17.2892 17.2892 20.9912 20.9912 21.0248 21.0248 23.5594 23.5594 23.7091 23.7091 k = 0.3353 0.3353 0.3353 ( 2719 PWs) bands (ev): -51.8663 -51.8663 -42.1024 -42.1024 -24.4954 -24.4954 -21.3376 -21.3376 -21.3308 -21.3308 -16.5098 -16.5098 -8.8913 -8.8913 -8.8879 -8.8879 15.7728 15.7728 16.4428 16.4428 16.6279 16.6279 16.8961 16.8961 17.2696 17.2696 17.3313 17.3313 20.9253 20.9253 20.9614 20.9614 23.6537 23.6537 23.8029 23.8029 k = 0.3412 0.3412 0.3412 ( 2725 PWs) bands (ev): -51.8660 -51.8660 -42.1016 -42.1016 -24.4964 -24.4964 -21.3388 -21.3388 -21.3320 -21.3320 -16.5130 -16.5130 -8.8977 -8.8977 -8.8937 -8.8937 15.7787 15.7787 16.4351 16.4351 16.6217 16.6217 16.9659 16.9659 17.3136 17.3136 17.3718 17.3718 20.8595 20.8595 20.8976 20.8976 23.7506 23.7506 23.8993 23.8993 k = 0.3471 0.3471 0.3471 ( 2722 PWs) bands (ev): -51.8657 -51.8657 -42.1008 -42.1008 -24.4973 -24.4973 -21.3399 -21.3399 -21.3332 -21.3332 -16.5161 -16.5161 -8.9040 -8.9040 -8.8994 -8.8994 15.7857 15.7857 16.4276 16.4276 16.6169 16.6169 17.0377 17.0377 17.3563 17.3563 17.4108 17.4108 20.7941 20.7941 20.8335 20.8335 23.8496 23.8496 23.9979 23.9979 k = 0.3529 0.3529 0.3529 ( 2734 PWs) bands (ev): -51.8655 -51.8655 -42.1000 -42.1000 -24.4983 -24.4983 -21.3410 -21.3410 -21.3344 -21.3344 -16.5193 -16.5193 -8.9102 -8.9102 -8.9050 -8.9050 15.7947 15.7947 16.4207 16.4207 16.6135 16.6135 17.1097 17.1097 17.3979 17.3979 17.4482 17.4482 20.7291 20.7291 20.7695 20.7695 23.9505 23.9505 24.0984 24.0984 k = 0.3588 0.3588 0.3588 ( 2740 PWs) bands (ev): -51.8652 -51.8652 -42.0993 -42.0993 -24.4992 -24.4992 -21.3420 -21.3420 -21.3355 -21.3355 -16.5225 -16.5225 -8.9162 -8.9162 -8.9107 -8.9107 15.8061 15.8061 16.4148 16.4148 16.6114 16.6114 17.1807 17.1807 17.4383 17.4383 17.4840 17.4840 20.6647 20.6647 20.7056 20.7056 24.0530 24.0530 24.2003 24.2003 k = 0.3647 0.3647 0.3647 ( 2737 PWs) bands (ev): -51.8649 -51.8649 -42.0986 -42.0986 -24.5000 -24.5000 -21.3429 -21.3429 -21.3366 -21.3366 -16.5256 -16.5256 -8.9220 -8.9220 -8.9162 -8.9162 15.8203 15.8203 16.4100 16.4100 16.6106 16.6106 17.2496 17.2496 17.4776 17.4776 17.5184 17.5184 20.6011 20.6011 20.6420 20.6420 24.1570 24.1570 24.3034 24.3034 k = 0.3706 0.3706 0.3706 ( 2734 PWs) bands (ev): -51.8647 -51.8647 -42.0979 -42.0979 -24.5008 -24.5008 -21.3436 -21.3436 -21.3376 -21.3376 -16.5286 -16.5286 -8.9277 -8.9277 -8.9217 -8.9217 15.8375 15.8375 16.4065 16.4065 16.6111 16.6111 17.3156 17.3156 17.5162 17.5162 17.5512 17.5512 20.5385 20.5385 20.5791 20.5791 24.2620 24.2620 24.4072 24.4072 k = 0.3765 0.3765 0.3765 ( 2734 PWs) bands (ev): -51.8645 -51.8645 -42.0972 -42.0972 -24.5016 -24.5016 -21.3444 -21.3444 -21.3386 -21.3386 -16.5316 -16.5316 -8.9331 -8.9331 -8.9270 -8.9270 15.8576 15.8576 16.4043 16.4043 16.6127 16.6127 17.3780 17.3780 17.5539 17.5539 17.5826 17.5826 20.4769 20.4769 20.5168 20.5168 24.3679 24.3679 24.5114 24.5114 k = 0.3824 0.3824 0.3824 ( 2728 PWs) bands (ev): -51.8642 -51.8642 -42.0966 -42.0966 -24.5023 -24.5023 -21.3450 -21.3450 -21.3395 -21.3395 -16.5346 -16.5346 -8.9384 -8.9384 -8.9323 -8.9323 15.8805 15.8805 16.4036 16.4036 16.6155 16.6155 17.4360 17.4360 17.5911 17.5911 17.6125 17.6125 20.4166 20.4166 20.4554 20.4554 24.4743 24.4743 24.6157 24.6157 k = 0.3882 0.3882 0.3882 ( 2728 PWs) bands (ev): -51.8640 -51.8640 -42.0960 -42.0960 -24.5030 -24.5030 -21.3456 -21.3456 -21.3404 -21.3404 -16.5375 -16.5375 -8.9434 -8.9434 -8.9375 -8.9375 15.9060 15.9060 16.4044 16.4044 16.6192 16.6192 17.4893 17.4893 17.6278 17.6278 17.6410 17.6410 20.3577 20.3577 20.3952 20.3952 24.5810 24.5810 24.7197 24.7197 k = 0.3941 0.3941 0.3941 ( 2734 PWs) bands (ev): -51.8638 -51.8638 -42.0954 -42.0954 -24.5037 -24.5037 -21.3462 -21.3462 -21.3413 -21.3413 -16.5403 -16.5403 -8.9483 -8.9483 -8.9425 -8.9425 15.9339 15.9339 16.4069 16.4069 16.6238 16.6238 17.5375 17.5375 17.6639 17.6639 17.6681 17.6681 20.3003 20.3003 20.3361 20.3361 24.6875 24.6875 24.8230 24.8230 k = 0.4000 0.4000 0.4000 ( 2734 PWs) bands (ev): -51.8636 -51.8636 -42.0948 -42.0948 -24.5043 -24.5043 -21.3467 -21.3467 -21.3422 -21.3422 -16.5430 -16.5430 -8.9529 -8.9529 -8.9474 -8.9474 15.9637 15.9637 16.4112 16.4112 16.6292 16.6292 17.5806 17.5806 17.6938 17.6938 17.6991 17.6991 20.2446 20.2446 20.2786 20.2786 24.7937 24.7937 24.9251 24.9251 k = 0.4059 0.4059 0.4059 ( 2746 PWs) bands (ev): -51.8634 -51.8634 -42.0943 -42.0943 -24.5050 -24.5050 -21.3471 -21.3471 -21.3430 -21.3430 -16.5457 -16.5457 -8.9573 -8.9573 -8.9521 -8.9521 15.9950 15.9950 16.4174 16.4174 16.6353 16.6353 17.6190 17.6190 17.7182 17.7182 17.7327 17.7327 20.1908 20.1908 20.2227 20.2227 24.8991 24.8991 25.0257 25.0257 k = 0.4118 0.4118 0.4118 ( 2740 PWs) bands (ev): -51.8632 -51.8632 -42.0938 -42.0938 -24.5055 -24.5055 -21.3475 -21.3475 -21.3437 -21.3437 -16.5482 -16.5482 -8.9615 -8.9615 -8.9566 -8.9566 16.0271 16.0271 16.4259 16.4259 16.6419 16.6419 17.6533 17.6533 17.7412 17.7412 17.7642 17.7642 20.1390 20.1390 20.1686 20.1686 25.0033 25.0033 25.1244 25.1244 k = 0.4176 0.4176 0.4176 ( 2743 PWs) bands (ev): -51.8631 -51.8631 -42.0933 -42.0933 -24.5060 -24.5060 -21.3478 -21.3478 -21.3444 -21.3444 -16.5506 -16.5506 -8.9654 -8.9654 -8.9609 -8.9609 16.0594 16.0594 16.4369 16.4369 16.6490 16.6490 17.6839 17.6839 17.7629 17.7629 17.7927 17.7927 20.0894 20.0894 20.1165 20.1165 25.1059 25.1059 25.2206 25.2206 k = 0.4235 0.4235 0.4235 ( 2743 PWs) bands (ev): -51.8629 -51.8629 -42.0929 -42.0929 -24.5065 -24.5065 -21.3481 -21.3481 -21.3450 -21.3450 -16.5529 -16.5529 -8.9691 -8.9691 -8.9650 -8.9650 16.0910 16.0910 16.4507 16.4507 16.6564 16.6564 17.7113 17.7113 17.7833 17.7833 17.8179 17.8179 20.0422 20.0422 20.0667 20.0667 25.2064 25.2064 25.3139 25.3139 k = 0.4294 0.4294 0.4294 ( 2743 PWs) bands (ev): -51.8628 -51.8628 -42.0924 -42.0924 -24.5069 -24.5069 -21.3483 -21.3483 -21.3457 -21.3457 -16.5551 -16.5551 -8.9725 -8.9725 -8.9689 -8.9689 16.1211 16.1211 16.4675 16.4675 16.6640 16.6640 17.7359 17.7359 17.8024 17.8024 17.8393 17.8393 19.9975 19.9975 20.0194 20.0194 25.3043 25.3043 25.4038 25.4038 k = 0.4353 0.4353 0.4353 ( 2734 PWs) bands (ev): -51.8626 -51.8626 -42.0920 -42.0920 -24.5073 -24.5073 -21.3484 -21.3484 -21.3462 -21.3462 -16.5571 -16.5571 -8.9757 -8.9757 -8.9725 -8.9725 16.1489 16.1489 16.4876 16.4876 16.6716 16.6716 17.7578 17.7578 17.8201 17.8201 17.8570 17.8570 19.9556 19.9556 19.9747 19.9747 25.3991 25.3991 25.4897 25.4897 k = 0.4412 0.4412 0.4412 ( 2728 PWs) bands (ev): -51.8625 -51.8625 -42.0917 -42.0917 -24.5076 -24.5076 -21.3485 -21.3485 -21.3467 -21.3467 -16.5590 -16.5590 -8.9786 -8.9786 -8.9759 -8.9759 16.1740 16.1740 16.5108 16.5108 16.6791 16.6791 17.7772 17.7772 17.8365 17.8365 17.8710 17.8710 19.9165 19.9165 19.9329 19.9329 25.4900 25.4900 25.5711 25.5711 k = 0.4471 0.4471 0.4471 ( 2728 PWs) bands (ev): -51.8624 -51.8624 -42.0914 -42.0914 -24.5080 -24.5080 -21.3487 -21.3487 -21.3471 -21.3471 -16.5607 -16.5607 -8.9813 -8.9813 -8.9790 -8.9790 16.1958 16.1958 16.5368 16.5368 16.6864 16.6864 17.7938 17.7938 17.8515 17.8515 17.8818 17.8818 19.8805 19.8805 19.8943 19.8943 25.5765 25.5765 25.6473 25.6473 k = 0.4529 0.4529 0.4529 ( 2728 PWs) bands (ev): -51.8623 -51.8623 -42.0911 -42.0911 -24.5083 -24.5083 -21.3488 -21.3488 -21.3476 -21.3476 -16.5623 -16.5623 -8.9837 -8.9837 -8.9818 -8.9818 16.2143 16.2143 16.5648 16.5648 16.6934 16.6934 17.8076 17.8076 17.8651 17.8651 17.8899 17.8899 19.8477 19.8477 19.8590 19.8590 25.6576 25.6576 25.7178 25.7178 k = 0.4588 0.4588 0.4588 ( 2734 PWs) bands (ev): -51.8622 -51.8622 -42.0908 -42.0908 -24.5086 -24.5086 -21.3489 -21.3489 -21.3480 -21.3480 -16.5637 -16.5637 -8.9858 -8.9858 -8.9843 -8.9843 16.2298 16.2298 16.5938 16.5938 16.6999 16.6999 17.8183 17.8183 17.8772 17.8772 17.8960 17.8960 19.8183 19.8183 19.8272 19.8272 25.7326 25.7326 25.7820 25.7820 k = 0.4647 0.4647 0.4647 ( 2746 PWs) bands (ev): -51.8621 -51.8621 -42.0906 -42.0906 -24.5088 -24.5088 -21.3490 -21.3490 -21.3483 -21.3483 -16.5650 -16.5650 -8.9876 -8.9876 -8.9865 -8.9865 16.2423 16.2423 16.6226 16.6226 16.7057 16.7057 17.8257 17.8257 17.8878 17.8878 17.9009 17.9009 19.7925 19.7925 19.7992 19.7992 25.8006 25.8006 25.8392 25.8392 k = 0.4706 0.4706 0.4706 ( 2764 PWs) bands (ev): -51.8620 -51.8620 -42.0904 -42.0904 -24.5091 -24.5091 -21.3491 -21.3491 -21.3487 -21.3487 -16.5660 -16.5660 -8.9892 -8.9892 -8.9884 -8.9884 16.2524 16.2524 16.6499 16.6499 16.7109 16.7109 17.8300 17.8300 17.8969 17.8969 17.9053 17.9053 19.7703 19.7703 19.7751 19.7751 25.8604 25.8604 25.8889 25.8889 k = 0.4765 0.4765 0.4765 ( 2782 PWs) bands (ev): -51.8620 -51.8620 -42.0903 -42.0903 -24.5093 -24.5093 -21.3492 -21.3492 -21.3490 -21.3490 -16.5669 -16.5669 -8.9905 -8.9905 -8.9900 -8.9900 16.2602 16.2602 16.6744 16.6744 16.7153 16.7153 17.8316 17.8316 17.9045 17.9045 17.9093 17.9093 19.7520 19.7520 19.7551 19.7551 25.9112 25.9112 25.9304 25.9304 k = 0.4824 0.4824 0.4824 ( 2800 PWs) bands (ev): -51.8620 -51.8620 -42.0902 -42.0902 -24.5095 -24.5095 -21.3493 -21.3493 -21.3491 -21.3491 -16.5676 -16.5676 -8.9915 -8.9915 -8.9913 -8.9913 16.2661 16.2661 16.6950 16.6950 16.7188 16.7188 17.8314 17.8314 17.9104 17.9104 17.9128 17.9128 19.7377 19.7377 19.7394 19.7394 25.9520 25.9520 25.9632 25.9632 k = 0.4882 0.4882 0.4882 ( 2800 PWs) bands (ev): -51.8619 -51.8619 -42.0901 -42.0901 -24.5096 -24.5096 -21.3494 -21.3494 -21.3493 -21.3493 -16.5681 -16.5681 -8.9922 -8.9922 -8.9921 -8.9921 16.2701 16.2701 16.7105 16.7105 16.7213 16.7213 17.8304 17.8304 17.9146 17.9146 17.9156 17.9156 19.7273 19.7273 19.7281 19.7281 25.9819 25.9819 25.9870 25.9870 k = 0.4941 0.4941 0.4941 ( 2800 PWs) bands (ev): -51.8619 -51.8619 -42.0901 -42.0901 -24.5097 -24.5097 -21.3494 -21.3494 -21.3493 -21.3493 -16.5684 -16.5684 -8.9927 -8.9927 -8.9926 -8.9926 16.2725 16.2725 16.7201 16.7201 16.7229 16.7229 17.8294 17.8294 17.9172 17.9172 17.9174 17.9174 19.7211 19.7211 19.7213 19.7213 26.0002 26.0002 26.0015 26.0015 k = 0.5000 0.5000 0.5000 ( 2800 PWs) bands (ev): -51.8619 -51.8619 -42.0901 -42.0901 -24.5097 -24.5097 -21.3494 -21.3494 -21.3494 -21.3494 -16.5685 -16.5685 -8.9928 -8.9928 -8.9928 -8.9928 16.2733 16.2733 16.7234 16.7234 16.7234 16.7234 17.8290 17.8290 17.9180 17.9180 17.9180 17.9180 19.7190 19.7190 19.7190 19.7190 26.0063 26.0063 26.0063 26.0063 k = 0.5000 0.5000 0.5000 ( 2800 PWs) bands (ev): -51.8619 -51.8619 -42.0901 -42.0901 -24.5097 -24.5097 -21.3494 -21.3494 -21.3494 -21.3494 -16.5685 -16.5685 -8.9928 -8.9928 -8.9928 -8.9928 16.2733 16.2733 16.7234 16.7234 16.7234 16.7234 17.8290 17.8290 17.9180 17.9180 17.9180 17.9180 19.7190 19.7190 19.7190 19.7190 26.0063 26.0063 26.0063 26.0063 k = 0.4928 0.5000 0.4928 ( 2800 PWs) bands (ev): -51.8619 -51.8619 -42.0901 -42.0901 -24.5097 -24.5097 -21.3494 -21.3494 -21.3493 -21.3493 -16.5684 -16.5684 -8.9927 -8.9927 -8.9926 -8.9926 16.2725 16.2725 16.7202 16.7202 16.7227 16.7227 17.8293 17.8293 17.9156 17.9156 17.9190 17.9190 19.7201 19.7201 19.7224 19.7224 25.9981 25.9981 26.0034 26.0034 k = 0.4855 0.5000 0.4855 ( 2800 PWs) bands (ev): -51.8619 -51.8619 -42.0901 -42.0901 -24.5096 -24.5096 -21.3494 -21.3494 -21.3492 -21.3492 -16.5681 -16.5681 -8.9925 -8.9925 -8.9919 -8.9919 16.2701 16.2701 16.7110 16.7110 16.7206 16.7206 17.8293 17.8293 17.9085 17.9085 17.9229 17.9229 19.7232 19.7232 19.7323 19.7323 25.9736 25.9736 25.9949 25.9949 k = 0.4783 0.5000 0.4783 ( 2796 PWs) bands (ev): -51.8620 -51.8620 -42.0902 -42.0902 -24.5095 -24.5095 -21.3495 -21.3495 -21.3490 -21.3490 -16.5676 -16.5676 -8.9921 -8.9921 -8.9907 -8.9907 16.2660 16.2660 16.6961 16.6961 16.7171 16.7171 17.8263 17.8263 17.8971 17.8971 17.9315 17.9315 19.7284 19.7284 19.7487 19.7487 25.9338 25.9338 25.9807 25.9807 k = 0.4710 0.5000 0.4710 ( 2772 PWs) bands (ev): -51.8620 -51.8620 -42.0903 -42.0903 -24.5093 -24.5093 -21.3495 -21.3495 -21.3486 -21.3486 -16.5669 -16.5669 -8.9915 -8.9915 -8.9890 -8.9890 16.2602 16.2602 16.6763 16.6763 16.7123 16.7123 17.8180 17.8180 17.8823 17.8823 17.9465 17.9465 19.7355 19.7355 19.7711 19.7711 25.8799 25.8799 25.9609 25.9609 k = 0.4638 0.5000 0.4638 ( 2760 PWs) bands (ev): -51.8620 -51.8620 -42.0904 -42.0904 -24.5091 -24.5091 -21.3495 -21.3495 -21.3482 -21.3482 -16.5660 -16.5660 -8.9908 -8.9908 -8.9868 -8.9868 16.2524 16.2524 16.6524 16.6524 16.7064 16.7064 17.8030 17.8030 17.8650 17.8650 17.9680 17.9680 19.7444 19.7444 19.7991 19.7991 25.8132 25.8132 25.9356 25.9356 k = 0.4565 0.5000 0.4565 ( 2748 PWs) bands (ev): -51.8621 -51.8621 -42.0906 -42.0906 -24.5088 -24.5088 -21.3496 -21.3496 -21.3477 -21.3477 -16.5649 -16.5649 -8.9899 -8.9899 -8.9842 -8.9842 16.2425 16.2425 16.6254 16.6254 16.6993 16.6993 17.7815 17.7815 17.8459 17.8459 17.9948 17.9948 19.7551 19.7551 19.8322 19.8322 25.7352 25.7352 25.9051 25.9051 k = 0.4493 0.5000 0.4493 ( 2748 PWs) bands (ev): -51.8622 -51.8622 -42.0908 -42.0908 -24.5086 -24.5086 -21.3498 -21.3498 -21.3472 -21.3472 -16.5637 -16.5637 -8.9888 -8.9888 -8.9811 -8.9811 16.2302 16.2302 16.5962 16.5962 16.6912 16.6912 17.7543 17.7543 17.8256 17.8256 18.0257 18.0257 19.7672 19.7672 19.8698 19.8698 25.6476 25.6476 25.8695 25.8695 k = 0.4420 0.5000 0.4420 ( 2740 PWs) bands (ev): -51.8623 -51.8623 -42.0911 -42.0911 -24.5083 -24.5083 -21.3499 -21.3499 -21.3465 -21.3465 -16.5622 -16.5622 -8.9877 -8.9877 -8.9776 -8.9776 16.2154 16.2154 16.5658 16.5658 16.6822 16.6822 17.7224 17.7224 17.8042 17.8042 18.0596 18.0596 19.7807 19.7807 19.9113 19.9113 25.5517 25.5517 25.8291 25.8291 k = 0.4348 0.5000 0.4348 ( 2736 PWs) bands (ev): -51.8624 -51.8624 -42.0914 -42.0914 -24.5080 -24.5080 -21.3501 -21.3501 -21.3458 -21.3458 -16.5606 -16.5606 -8.9864 -8.9864 -8.9737 -8.9737 16.1977 16.1977 16.5350 16.5350 16.6727 16.6727 17.6867 17.6867 17.7817 17.7817 18.0955 18.0955 19.7954 19.7954 19.9563 19.9563 25.4487 25.4487 25.7844 25.7844 k = 0.4275 0.5000 0.4275 ( 2736 PWs) bands (ev): -51.8625 -51.8625 -42.0917 -42.0917 -24.5077 -24.5077 -21.3503 -21.3503 -21.3450 -21.3450 -16.5589 -16.5589 -8.9849 -8.9849 -8.9693 -8.9693 16.1770 16.1770 16.5045 16.5045 16.6626 16.6626 17.6481 17.6481 17.7582 17.7582 18.1326 18.1326 19.8111 19.8111 20.0041 20.0041 25.3399 25.3399 25.7358 25.7358 k = 0.4203 0.5000 0.4203 ( 2740 PWs) bands (ev): -51.8626 -51.8626 -42.0921 -42.0921 -24.5073 -24.5073 -21.3505 -21.3505 -21.3442 -21.3442 -16.5570 -16.5570 -8.9834 -8.9834 -8.9645 -8.9645 16.1531 16.1531 16.4749 16.4749 16.6523 16.6523 17.6073 17.6073 17.7338 17.7338 18.1702 18.1702 19.8278 19.8278 20.0543 20.0543 25.2260 25.2260 25.6838 25.6838 k = 0.4130 0.5000 0.4130 ( 2736 PWs) bands (ev): -51.8628 -51.8628 -42.0924 -42.0924 -24.5069 -24.5069 -21.3507 -21.3507 -21.3432 -21.3432 -16.5549 -16.5549 -8.9817 -8.9817 -8.9593 -8.9593 16.1262 16.1262 16.4464 16.4464 16.6419 16.6419 17.5647 17.5647 17.7087 17.7087 18.2078 18.2078 19.8451 19.8451 20.1065 20.1065 25.1079 25.1079 25.6290 25.6290 k = 0.4058 0.5000 0.4058 ( 2740 PWs) bands (ev): -51.8629 -51.8629 -42.0929 -42.0929 -24.5065 -24.5065 -21.3509 -21.3509 -21.3423 -21.3423 -16.5527 -16.5527 -8.9799 -8.9799 -8.9537 -8.9537 16.0964 16.0964 16.4194 16.4194 16.6317 16.6317 17.5208 17.5208 17.6830 17.6830 18.2449 18.2449 19.8631 19.8631 20.1601 20.1601 24.9864 24.9864 25.5721 25.5721 k = 0.3986 0.5000 0.3986 ( 2740 PWs) bands (ev): -51.8631 -51.8631 -42.0933 -42.0933 -24.5060 -24.5060 -21.3511 -21.3511 -21.3412 -21.3412 -16.5504 -16.5504 -8.9781 -8.9781 -8.9478 -8.9478 16.0641 16.0641 16.3936 16.3936 16.6219 16.6219 17.4760 17.4760 17.6570 17.6570 18.2811 18.2811 19.8816 19.8816 20.2148 20.2148 24.8619 24.8619 25.5137 25.5137 k = 0.3913 0.5000 0.3913 ( 2744 PWs) bands (ev): -51.8632 -51.8632 -42.0938 -42.0938 -24.5055 -24.5055 -21.3513 -21.3513 -21.3401 -21.3401 -16.5480 -16.5480 -8.9761 -8.9761 -8.9414 -8.9414 16.0298 16.0298 16.3689 16.3689 16.6126 16.6126 17.4306 17.4306 17.6307 17.6307 18.3159 18.3159 19.9005 19.9005 20.2704 20.2704 24.7349 24.7349 25.4544 25.4544 k = 0.3841 0.5000 0.3841 ( 2742 PWs) bands (ev): -51.8634 -51.8634 -42.0943 -42.0943 -24.5050 -24.5050 -21.3515 -21.3515 -21.3388 -21.3388 -16.5454 -16.5454 -8.9741 -8.9741 -8.9348 -8.9348 15.9939 15.9939 16.3452 16.3452 16.6040 16.6040 17.3848 17.3848 17.6045 17.6045 18.3491 18.3491 19.9197 19.9197 20.3263 20.3263 24.6060 24.6060 25.3948 25.3948 k = 0.3768 0.5000 0.3768 ( 2734 PWs) bands (ev): -51.8636 -51.8636 -42.0948 -42.0948 -24.5044 -24.5044 -21.3517 -21.3517 -21.3375 -21.3375 -16.5428 -16.5428 -8.9720 -8.9720 -8.9278 -8.9278 15.9569 15.9569 16.3221 16.3221 16.5963 16.5963 17.3390 17.3390 17.5784 17.5784 18.3803 18.3803 19.9391 19.9391 20.3824 20.3824 24.4753 24.4753 25.3357 25.3357 k = 0.3696 0.5000 0.3696 ( 2734 PWs) bands (ev): -51.8638 -51.8638 -42.0953 -42.0953 -24.5038 -24.5038 -21.3518 -21.3518 -21.3361 -21.3361 -16.5400 -16.5400 -8.9698 -8.9698 -8.9205 -8.9205 15.9193 15.9193 16.2996 16.2996 16.5895 16.5895 17.2933 17.2933 17.5525 17.5525 18.4093 18.4093 19.9587 19.9587 20.4383 20.4383 24.3432 24.3432 25.2774 25.2774 k = 0.3623 0.5000 0.3623 ( 2726 PWs) bands (ev): -51.8640 -51.8640 -42.0959 -42.0959 -24.5031 -24.5031 -21.3519 -21.3519 -21.3347 -21.3347 -16.5372 -16.5372 -8.9676 -8.9676 -8.9128 -8.9128 15.8815 15.8815 16.2776 16.2776 16.5838 16.5838 17.2479 17.2479 17.5271 17.5271 18.4359 18.4359 19.9784 19.9784 20.4938 20.4938 24.2100 24.2100 25.2204 25.2204 k = 0.3551 0.5000 0.3551 ( 2726 PWs) bands (ev): -51.8642 -51.8642 -42.0965 -42.0965 -24.5025 -24.5025 -21.3521 -21.3521 -21.3332 -21.3332 -16.5343 -16.5343 -8.9654 -8.9654 -8.9050 -8.9050 15.8438 15.8438 16.2559 16.2559 16.5792 16.5792 17.2029 17.2029 17.5022 17.5022 18.4599 18.4599 19.9983 19.9983 20.5486 20.5486 24.0758 24.0758 25.1653 25.1653 k = 0.3478 0.5000 0.3478 ( 2734 PWs) bands (ev): -51.8644 -51.8644 -42.0971 -42.0971 -24.5018 -24.5018 -21.3522 -21.3522 -21.3316 -21.3316 -16.5314 -16.5314 -8.9631 -8.9631 -8.8969 -8.8969 15.8066 15.8066 16.2345 16.2345 16.5757 16.5757 17.1585 17.1585 17.4779 17.4779 18.4810 18.4810 20.0181 20.0181 20.6025 20.6025 23.9409 23.9409 25.1123 25.1123 k = 0.3406 0.5000 0.3406 ( 2734 PWs) bands (ev): -51.8646 -51.8646 -42.0978 -42.0978 -24.5011 -24.5011 -21.3522 -21.3522 -21.3300 -21.3300 -16.5285 -16.5285 -8.9609 -8.9609 -8.8885 -8.8885 15.7701 15.7701 16.2135 16.2135 16.5734 16.5734 17.1147 17.1147 17.4545 17.4545 18.4992 18.4992 20.0380 20.0380 20.6554 20.6554 23.8054 23.8054 25.0618 25.0618 k = 0.3333 0.5000 0.3333 ( 2738 PWs) bands (ev): -51.8649 -51.8649 -42.0984 -42.0984 -24.5004 -24.5004 -21.3523 -21.3523 -21.3283 -21.3283 -16.5255 -16.5255 -8.9586 -8.9586 -8.8799 -8.8799 15.7345 15.7345 16.1929 16.1929 16.5723 16.5723 17.0718 17.0718 17.4319 17.4319 18.5143 18.5143 20.0578 20.0578 20.7069 20.7069 23.6695 23.6695 25.0140 25.0140 k = 0.3261 0.5000 0.3261 ( 2738 PWs) bands (ev): -51.8651 -51.8651 -42.0991 -42.0991 -24.4996 -24.4996 -21.3522 -21.3522 -21.3266 -21.3266 -16.5224 -16.5224 -8.9563 -8.9563 -8.8712 -8.8712 15.7001 15.7001 16.1727 16.1727 16.5724 16.5724 17.0297 17.0297 17.4104 17.4104 18.5264 18.5264 20.0776 20.0776 20.7570 20.7570 23.5334 23.5334 24.9691 24.9691 k = 0.3188 0.5000 0.3188 ( 2734 PWs) bands (ev): -51.8654 -51.8654 -42.0998 -42.0998 -24.4988 -24.4988 -21.3522 -21.3522 -21.3248 -21.3248 -16.5194 -16.5194 -8.9541 -8.9541 -8.8623 -8.8623 15.6668 15.6668 16.1531 16.1531 16.5737 16.5737 16.9885 16.9885 17.3900 17.3900 18.5353 18.5353 20.0973 20.0973 20.8054 20.8054 23.3970 23.3970 24.9271 24.9271 k = 0.3116 0.5000 0.3116 ( 2734 PWs) bands (ev): -51.8656 -51.8656 -42.1005 -42.1005 -24.4979 -24.4979 -21.3521 -21.3521 -21.3229 -21.3229 -16.5164 -16.5164 -8.9519 -8.9519 -8.8532 -8.8532 15.6350 15.6350 16.1341 16.1341 16.5763 16.5763 16.9484 16.9484 17.3708 17.3708 18.5410 18.5410 20.1169 20.1169 20.8521 20.8521 23.2607 23.2607 24.8882 24.8882 k = 0.3043 0.5000 0.3043 ( 2738 PWs) bands (ev): -51.8659 -51.8659 -42.1012 -42.1012 -24.4971 -24.4971 -21.3519 -21.3519 -21.3210 -21.3210 -16.5133 -16.5133 -8.9497 -8.9497 -8.8440 -8.8440 15.6046 15.6046 16.1157 16.1157 16.5800 16.5800 16.9094 16.9094 17.3530 17.3530 18.5436 18.5436 20.1364 20.1364 20.8967 20.8967 23.1243 23.1243 24.8523 24.8523 k = 0.2971 0.5000 0.2971 ( 2738 PWs) bands (ev): -51.8661 -51.8661 -42.1020 -42.1020 -24.4962 -24.4962 -21.3517 -21.3517 -21.3191 -21.3191 -16.5103 -16.5103 -8.9476 -8.9476 -8.8347 -8.8347 15.5758 15.5758 16.0980 16.0980 16.5850 16.5850 16.8714 16.8714 17.3368 17.3368 18.5431 18.5431 20.1557 20.1557 20.9393 20.9393 22.9882 22.9882 24.8193 24.8193 k = 0.2899 0.5000 0.2899 ( 2738 PWs) bands (ev): -51.8664 -51.8664 -42.1027 -42.1027 -24.4953 -24.4953 -21.3515 -21.3515 -21.3171 -21.3171 -16.5074 -16.5074 -8.9455 -8.9455 -8.8252 -8.8252 15.5486 15.5486 16.0810 16.0810 16.5913 16.5913 16.8347 16.8347 17.3222 17.3222 18.5395 18.5395 20.1749 20.1749 20.9797 20.9797 22.8523 22.8523 24.7891 24.7891 k = 0.2826 0.5000 0.2826 ( 2722 PWs) bands (ev): -51.8667 -51.8667 -42.1034 -42.1034 -24.4943 -24.4943 -21.3511 -21.3511 -21.3150 -21.3150 -16.5044 -16.5044 -8.9435 -8.9435 -8.8158 -8.8158 15.5231 15.5231 16.0647 16.0647 16.5987 16.5987 16.7992 16.7992 17.3094 17.3094 18.5330 18.5330 20.1939 20.1939 21.0177 21.0177 22.7168 22.7168 24.7616 24.7616 k = 0.2754 0.5000 0.2754 ( 2726 PWs) bands (ev): -51.8669 -51.8669 -42.1042 -42.1042 -24.4934 -24.4934 -21.3508 -21.3508 -21.3130 -21.3130 -16.5015 -16.5015 -8.9415 -8.9415 -8.8063 -8.8063 15.4994 15.4994 16.0492 16.0492 16.6074 16.6074 16.7650 16.7650 17.2985 17.2985 18.5237 18.5237 20.2128 20.2128 21.0534 21.0534 22.5817 22.5817 24.7364 24.7364 k = 0.2681 0.5000 0.2681 ( 2726 PWs) bands (ev): -51.8672 -51.8672 -42.1050 -42.1050 -24.4924 -24.4924 -21.3504 -21.3504 -21.3109 -21.3109 -16.4987 -16.4987 -8.9397 -8.9397 -8.7967 -8.7967 15.4775 15.4775 16.0344 16.0344 16.6172 16.6172 16.7323 16.7323 17.2898 17.2898 18.5118 18.5118 20.2314 20.2314 21.0866 21.0866 22.4472 22.4472 24.7132 24.7132 k = 0.2609 0.5000 0.2609 ( 2726 PWs) bands (ev): -51.8675 -51.8675 -42.1058 -42.1058 -24.4914 -24.4914 -21.3500 -21.3500 -21.3088 -21.3088 -16.4959 -16.4959 -8.9379 -8.9379 -8.7872 -8.7872 15.4573 15.4573 16.0203 16.0203 16.6277 16.6277 16.7015 16.7015 17.2834 17.2834 18.4973 18.4973 20.2497 20.2497 21.1172 21.1172 22.3133 22.3133 24.6918 24.6918 k = 0.2536 0.5000 0.2536 ( 2716 PWs) bands (ev): -51.8677 -51.8677 -42.1065 -42.1065 -24.4904 -24.4904 -21.3494 -21.3494 -21.3066 -21.3066 -16.4932 -16.4932 -8.9362 -8.9362 -8.7777 -8.7777 15.4389 15.4389 16.0069 16.0069 16.6366 16.6366 16.6748 16.6748 17.2794 17.2794 18.4805 18.4805 20.2678 20.2678 21.1452 21.1452 22.1802 22.1802 24.6716 24.6716 k = 0.2464 0.5000 0.2464 ( 2716 PWs) bands (ev): -51.8680 -51.8680 -42.1073 -42.1073 -24.4894 -24.4894 -21.3489 -21.3489 -21.3044 -21.3044 -16.4906 -16.4906 -8.9346 -8.9346 -8.7682 -8.7682 15.4224 15.4224 15.9940 15.9940 16.6301 16.6301 16.6662 16.6662 17.2780 17.2780 18.4615 18.4615 20.2857 20.2857 21.1706 21.1706 22.0479 22.0479 24.6522 24.6522 k = 0.2391 0.5000 0.2391 ( 2726 PWs) bands (ev): -51.8683 -51.8683 -42.1081 -42.1081 -24.4884 -24.4884 -21.3483 -21.3483 -21.3023 -21.3023 -16.4881 -16.4881 -8.9331 -8.9331 -8.7588 -8.7588 15.4076 15.4076 15.9817 15.9817 16.6065 16.6065 16.6774 16.6774 17.2794 17.2794 18.4406 18.4406 20.3032 20.3032 21.1931 21.1931 21.9167 21.9167 24.6329 24.6329 k = 0.2319 0.5000 0.2319 ( 2726 PWs) bands (ev): -51.8686 -51.8686 -42.1089 -42.1089 -24.4874 -24.4874 -21.3477 -21.3477 -21.3001 -21.3001 -16.4856 -16.4856 -8.9316 -8.9316 -8.7495 -8.7495 15.3946 15.3946 15.9698 15.9698 16.5808 16.5808 16.6932 16.6932 17.2838 17.2838 18.4180 18.4180 20.3205 20.3205 21.2128 21.2128 21.7868 21.7868 24.6129 24.6129 k = 0.2246 0.5000 0.2246 ( 2732 PWs) bands (ev): -51.8688 -51.8688 -42.1097 -42.1097 -24.4864 -24.4864 -21.3471 -21.3471 -21.2979 -21.2979 -16.4832 -16.4832 -8.9303 -8.9303 -8.7402 -8.7402 15.3834 15.3834 15.9584 15.9584 16.5557 16.5557 16.7112 16.7112 17.2914 17.2914 18.3938 18.3938 20.3374 20.3374 21.2293 21.2293 21.6585 21.6585 24.5911 24.5911 k = 0.2174 0.5000 0.2174 ( 2740 PWs) bands (ev): -51.8691 -51.8691 -42.1105 -42.1105 -24.4854 -24.4854 -21.3464 -21.3464 -21.2957 -21.2957 -16.4810 -16.4810 -8.9291 -8.9291 -8.7311 -8.7311 15.3739 15.3739 15.9473 15.9473 16.5316 16.5316 16.7308 16.7308 17.3022 17.3022 18.3684 18.3684 20.3539 20.3539 21.2416 21.2416 21.5329 21.5329 24.5656 24.5656 k = 0.2101 0.5000 0.2101 ( 2732 PWs) bands (ev): -51.8694 -51.8694 -42.1112 -42.1112 -24.4844 -24.4844 -21.3456 -21.3456 -21.2935 -21.2935 -16.4788 -16.4788 -8.9280 -8.9280 -8.7221 -8.7221 15.3660 15.3660 15.9366 15.9366 16.5086 16.5086 16.7518 16.7518 17.3165 17.3165 18.3418 18.3418 20.3701 20.3701 21.2460 21.2460 21.4140 21.4140 24.5335 24.5335 k = 0.2029 0.5000 0.2029 ( 2732 PWs) bands (ev): -51.8697 -51.8697 -42.1120 -42.1120 -24.4833 -24.4833 -21.3448 -21.3448 -21.2913 -21.2913 -16.4767 -16.4767 -8.9270 -8.9270 -8.7132 -8.7132 15.3598 15.3598 15.9260 15.9260 16.4867 16.4867 16.7743 16.7743 17.3344 17.3344 18.3143 18.3143 20.3858 20.3858 21.2190 21.2190 21.3255 21.3255 24.4895 24.4895 k = 0.1957 0.5000 0.1957 ( 2732 PWs) bands (ev): -51.8699 -51.8699 -42.1127 -42.1127 -24.4823 -24.4823 -21.3440 -21.3440 -21.2891 -21.2891 -16.4748 -16.4748 -8.9261 -8.9261 -8.7045 -8.7045 15.3552 15.3552 15.9156 15.9156 16.4661 16.4661 16.7982 16.7982 17.3559 17.3559 18.2862 18.2862 20.4009 20.4009 21.1259 21.1259 21.3022 21.3022 24.4251 24.4251 k = 0.1884 0.5000 0.1884 ( 2744 PWs) bands (ev): -51.8702 -51.8702 -42.1135 -42.1135 -24.4813 -24.4813 -21.3432 -21.3432 -21.2870 -21.2870 -16.4729 -16.4729 -8.9253 -8.9253 -8.6960 -8.6960 15.3520 15.3520 15.9054 15.9054 16.4466 16.4466 16.8234 16.8234 17.3811 17.3811 18.2576 18.2576 20.4155 20.4155 21.0102 21.0102 21.3009 21.3009 24.3329 24.3329 k = 0.1812 0.5000 0.1812 ( 2740 PWs) bands (ev): -51.8704 -51.8704 -42.1142 -42.1142 -24.4803 -24.4803 -21.3423 -21.3423 -21.2848 -21.2848 -16.4711 -16.4711 -8.9245 -8.9245 -8.6877 -8.6877 15.3503 15.3503 15.8952 15.8952 16.4282 16.4282 16.8499 16.8499 17.4101 17.4101 18.2287 18.2287 20.4291 20.4291 20.8919 20.8919 21.3023 21.3023 24.2152 24.2152 k = 0.1739 0.5000 0.1739 ( 2744 PWs) bands (ev): -51.8707 -51.8707 -42.1149 -42.1149 -24.4793 -24.4793 -21.3414 -21.3414 -21.2827 -21.2827 -16.4695 -16.4695 -8.9239 -8.9239 -8.6796 -8.6796 15.3499 15.3499 15.8852 15.8852 16.4109 16.4109 16.8778 16.8778 17.4428 17.4428 18.1997 18.1997 20.4412 20.4412 20.7748 20.7748 21.3031 21.3031 24.0810 24.0810 k = 0.1667 0.5000 0.1667 ( 2744 PWs) bands (ev): -51.8709 -51.8709 -42.1156 -42.1156 -24.4784 -24.4784 -21.3405 -21.3405 -21.2806 -21.2806 -16.4679 -16.4679 -8.9234 -8.9234 -8.6718 -8.6718 15.3507 15.3507 15.8752 15.8752 16.3948 16.3948 16.9070 16.9070 17.4793 17.4793 18.1709 18.1709 20.4493 20.4493 20.6623 20.6623 21.3028 21.3028 23.9378 23.9378 k = 0.1594 0.5000 0.1594 ( 2744 PWs) bands (ev): -51.8712 -51.8712 -42.1163 -42.1163 -24.4774 -24.4774 -21.3396 -21.3396 -21.2786 -21.2786 -16.4664 -16.4664 -8.9229 -8.9229 -8.6641 -8.6641 15.3527 15.3527 15.8653 15.8653 16.3797 16.3797 16.9376 16.9376 17.5194 17.5194 18.1425 18.1425 20.4423 20.4423 20.5659 20.5659 21.3011 21.3011 23.7899 23.7899 k = 0.1522 0.5000 0.1522 ( 2744 PWs) bands (ev): -51.8714 -51.8714 -42.1169 -42.1169 -24.4765 -24.4765 -21.3387 -21.3387 -21.2766 -21.2766 -16.4651 -16.4651 -8.9225 -8.9225 -8.6568 -8.6568 15.3558 15.3558 15.8554 15.8554 16.3656 16.3656 16.9694 16.9694 17.5629 17.5629 18.1146 18.1146 20.3828 20.3828 20.5233 20.5233 21.2981 21.2981 23.6397 23.6397 k = 0.1449 0.5000 0.1449 ( 2744 PWs) bands (ev): -51.8716 -51.8716 -42.1176 -42.1176 -24.4755 -24.4755 -21.3378 -21.3378 -21.2746 -21.2746 -16.4638 -16.4638 -8.9222 -8.9222 -8.6497 -8.6497 15.3599 15.3599 15.8457 15.8457 16.3526 16.3526 17.0026 17.0026 17.6097 17.6097 18.0875 18.0875 20.2829 20.2829 20.5225 20.5225 21.2939 21.2939 23.4885 23.4885 k = 0.1377 0.5000 0.1377 ( 2740 PWs) bands (ev): -51.8718 -51.8718 -42.1182 -42.1182 -24.4746 -24.4746 -21.3369 -21.3369 -21.2727 -21.2727 -16.4626 -16.4626 -8.9220 -8.9220 -8.6428 -8.6428 15.3648 15.3648 15.8361 15.8361 16.3405 16.3405 17.0372 17.0372 17.6594 17.6594 18.0615 18.0615 20.1752 20.1752 20.5311 20.5311 21.2885 21.2885 23.3372 23.3372 k = 0.1304 0.5000 0.1304 ( 2740 PWs) bands (ev): -51.8720 -51.8720 -42.1188 -42.1188 -24.4738 -24.4738 -21.3360 -21.3360 -21.2709 -21.2709 -16.4615 -16.4615 -8.9218 -8.9218 -8.6363 -8.6363 15.3705 15.3705 15.8267 15.8267 16.3293 16.3293 17.0730 17.0730 17.7115 17.7115 18.0370 18.0370 20.0668 20.0668 20.5421 20.5421 21.2821 21.2821 23.1865 23.1865 k = 0.1232 0.5000 0.1232 ( 2740 PWs) bands (ev): -51.8722 -51.8722 -42.1193 -42.1193 -24.4729 -24.4729 -21.3351 -21.3351 -21.2691 -21.2691 -16.4605 -16.4605 -8.9217 -8.9217 -8.6300 -8.6300 15.3768 15.3768 15.8174 15.8174 16.3190 16.3190 17.1100 17.1100 17.7651 17.7651 18.0150 18.0150 19.9594 19.9594 20.5540 20.5540 21.2748 21.2748 23.0368 23.0368 k = 0.1159 0.5000 0.1159 ( 2740 PWs) bands (ev): -51.8724 -51.8724 -42.1199 -42.1199 -24.4721 -24.4721 -21.3342 -21.3342 -21.2674 -21.2674 -16.4596 -16.4596 -8.9216 -8.9216 -8.6241 -8.6241 15.3835 15.3835 15.8084 15.8084 16.3096 16.3096 17.1483 17.1483 17.8180 17.8180 17.9972 17.9972 19.8537 19.8537 20.5664 20.5664 21.2669 21.2669 22.8887 22.8887 k = 0.1087 0.5000 0.1087 ( 2740 PWs) bands (ev): -51.8726 -51.8726 -42.1204 -42.1204 -24.4714 -24.4714 -21.3334 -21.3334 -21.2657 -21.2657 -16.4588 -16.4588 -8.9216 -8.9216 -8.6184 -8.6184 15.3907 15.3907 15.7997 15.7997 16.3009 16.3009 17.1877 17.1877 17.8642 17.8642 17.9897 17.9897 19.7500 19.7500 20.5792 20.5792 21.2583 21.2583 22.7426 22.7426 k = 0.1014 0.5000 0.1014 ( 2740 PWs) bands (ev): -51.8728 -51.8728 -42.1209 -42.1209 -24.4706 -24.4706 -21.3326 -21.3326 -21.2642 -21.2642 -16.4580 -16.4580 -8.9216 -8.9216 -8.6131 -8.6131 15.3982 15.3982 15.7912 15.7912 16.2931 16.2931 17.2281 17.2281 17.8894 17.8894 18.0064 18.0064 19.6486 19.6486 20.5922 20.5922 21.2492 21.2492 22.5989 22.5989 k = 0.0942 0.5000 0.0942 ( 2740 PWs) bands (ev): -51.8729 -51.8729 -42.1213 -42.1213 -24.4699 -24.4699 -21.3318 -21.3318 -21.2627 -21.2627 -16.4573 -16.4573 -8.9216 -8.9216 -8.6082 -8.6082 15.4058 15.4058 15.7832 15.7832 16.2859 16.2859 17.2693 17.2693 17.8896 17.8896 18.0511 18.0511 19.5497 19.5497 20.6056 20.6056 21.2398 21.2398 22.4580 22.4580 k = 0.0870 0.5000 0.0870 ( 2744 PWs) bands (ev): -51.8731 -51.8731 -42.1218 -42.1218 -24.4693 -24.4693 -21.3311 -21.3311 -21.2613 -21.2613 -16.4567 -16.4567 -8.9217 -8.9217 -8.6035 -8.6035 15.4134 15.4134 15.7755 15.7755 16.2795 16.2795 17.3111 17.3111 17.8797 17.8797 18.1085 18.1085 19.4535 19.4535 20.6196 20.6196 21.2301 21.2301 22.3206 22.3206 k = 0.0797 0.5000 0.0797 ( 2746 PWs) bands (ev): -51.8732 -51.8732 -42.1222 -42.1222 -24.4687 -24.4687 -21.3304 -21.3304 -21.2601 -21.2601 -16.4561 -16.4561 -8.9218 -8.9218 -8.5993 -8.5993 15.4210 15.4210 15.7683 15.7683 16.2737 16.2737 17.3531 17.3531 17.8676 17.8676 18.1704 18.1704 19.3604 19.3604 20.6343 20.6343 21.2202 21.2202 22.1872 22.1872 k = 0.0725 0.5000 0.0725 ( 2746 PWs) bands (ev): -51.8733 -51.8733 -42.1225 -42.1225 -24.4682 -24.4682 -21.3297 -21.3297 -21.2589 -21.2589 -16.4557 -16.4557 -8.9219 -8.9219 -8.5953 -8.5953 15.4283 15.4283 15.7615 15.7615 16.2686 16.2686 17.3950 17.3950 17.8561 17.8561 18.2334 18.2334 19.2705 19.2705 20.6498 20.6498 21.2102 21.2102 22.0583 22.0583 k = 0.0652 0.5000 0.0652 ( 2746 PWs) bands (ev): -51.8735 -51.8735 -42.1229 -42.1229 -24.4676 -24.4676 -21.3291 -21.3291 -21.2578 -21.2578 -16.4552 -16.4552 -8.9220 -8.9220 -8.5918 -8.5918 15.4354 15.4354 15.7553 15.7553 16.2640 16.2640 17.4360 17.4360 17.8464 17.8464 18.2961 18.2961 19.1844 19.1844 20.6665 20.6665 21.1999 21.1999 21.9348 21.9348 k = 0.0580 0.5000 0.0580 ( 2740 PWs) bands (ev): -51.8736 -51.8736 -42.1232 -42.1232 -24.4672 -24.4672 -21.3286 -21.3286 -21.2568 -21.2568 -16.4548 -16.4548 -8.9221 -8.9221 -8.5885 -8.5885 15.4420 15.4420 15.7496 15.7496 16.2600 16.2600 17.4754 17.4754 17.8393 17.8393 18.3570 18.3570 19.1024 19.1024 20.6847 20.6847 21.1891 21.1891 21.8176 21.8176 k = 0.0507 0.5000 0.0507 ( 2740 PWs) bands (ev): -51.8737 -51.8737 -42.1234 -42.1234 -24.4667 -24.4667 -21.3281 -21.3281 -21.2559 -21.2559 -16.4545 -16.4545 -8.9222 -8.9222 -8.5857 -8.5857 15.4481 15.4481 15.7445 15.7445 16.2566 16.2566 17.5121 17.5121 17.8355 17.8355 18.4151 18.4151 19.0252 19.0252 20.7047 20.7047 21.1777 21.1777 21.7079 21.7079 k = 0.0435 0.5000 0.0435 ( 2744 PWs) bands (ev): -51.8737 -51.8737 -42.1237 -42.1237 -24.4664 -24.4664 -21.3277 -21.3277 -21.2552 -21.2552 -16.4543 -16.4543 -8.9223 -8.9223 -8.5832 -8.5832 15.4536 15.4536 15.7400 15.7400 16.2537 16.2537 17.5450 17.5450 17.8355 17.8355 18.4691 18.4691 18.9537 18.9537 20.7268 20.7268 21.1648 21.1648 21.6070 21.6070 k = 0.0362 0.5000 0.0362 ( 2746 PWs) bands (ev): -51.8738 -51.8738 -42.1239 -42.1239 -24.4661 -24.4661 -21.3273 -21.3273 -21.2545 -21.2545 -16.4540 -16.4540 -8.9224 -8.9224 -8.5811 -8.5811 15.4584 15.4584 15.7361 15.7361 16.2512 16.2512 17.5727 17.5727 17.8397 17.8397 18.5179 18.5179 18.8887 18.8887 20.7514 20.7514 21.1495 21.1495 21.5172 21.5172 k = 0.0290 0.5000 0.0290 ( 2746 PWs) bands (ev): -51.8739 -51.8739 -42.1240 -42.1240 -24.4659 -24.4659 -21.3270 -21.3270 -21.2540 -21.2540 -16.4538 -16.4538 -8.9225 -8.9225 -8.5794 -8.5794 15.4624 15.4624 15.7329 15.7329 16.2492 16.2492 17.5946 17.5946 17.8477 17.8477 18.5604 18.5604 18.8315 18.8315 20.7784 20.7784 21.1302 21.1302 21.4412 21.4412 k = 0.0217 0.5000 0.0217 ( 2746 PWs) bands (ev): -51.8739 -51.8739 -42.1242 -42.1242 -24.4657 -24.4657 -21.3268 -21.3268 -21.2536 -21.2536 -16.4537 -16.4537 -8.9226 -8.9226 -8.5781 -8.5781 15.4656 15.4656 15.7304 15.7304 16.2477 16.2477 17.6104 17.6104 17.8579 17.8579 18.5954 18.5954 18.7836 18.7836 20.8077 20.8077 21.1055 21.1055 21.3820 21.3820 k = 0.0145 0.5000 0.0145 ( 2746 PWs) bands (ev): -51.8739 -51.8739 -42.1243 -42.1243 -24.4655 -24.4655 -21.3266 -21.3266 -21.2533 -21.2533 -16.4536 -16.4536 -8.9226 -8.9226 -8.5771 -8.5771 15.4679 15.4679 15.7286 15.7286 16.2466 16.2466 17.6208 17.6208 17.8681 17.8681 18.6220 18.6220 18.7468 18.7468 20.8374 20.8374 21.0764 21.0764 21.3413 21.3413 k = 0.0072 0.5000 0.0072 ( 2746 PWs) bands (ev): -51.8740 -51.8740 -42.1243 -42.1243 -24.4654 -24.4654 -21.3265 -21.3265 -21.2531 -21.2531 -16.4535 -16.4535 -8.9227 -8.9227 -8.5766 -8.5766 15.4693 15.4693 15.7275 15.7275 16.2460 16.2460 17.6265 17.6265 17.8756 17.8756 18.6394 18.6394 18.7227 18.7227 20.8630 20.8630 21.0493 21.0493 21.3185 21.3185 k = 0.0000 0.5000-0.0000 ( 2762 PWs) bands (ev): -51.8740 -51.8740 -42.1244 -42.1244 -24.4655 -24.4655 -21.3265 -21.3265 -21.2531 -21.2531 -16.4536 -16.4536 -8.9227 -8.9227 -8.5764 -8.5764 15.4698 15.4698 15.7272 15.7272 16.2458 16.2458 17.6283 17.6283 17.8784 17.8784 18.6457 18.6457 18.7140 18.7140 20.8741 20.8741 21.0372 21.0372 21.3112 21.3112 k = 0.5000 0.5000-0.0000 ( 2704 PWs) bands (ev): -51.8678 -51.8678 -42.1067 -42.1067 -24.4930 -24.4930 -21.3842 -21.3842 -21.2849 -21.2849 -16.4742 -16.4742 -8.9876 -8.9876 -8.6733 -8.6733 14.3511 14.3511 14.6126 14.6126 16.3872 16.3872 16.4290 16.4290 19.6359 19.6359 20.4280 20.4280 20.5912 20.5912 21.2356 21.2356 22.5187 22.5187 25.3022 25.3022 k = 0.5000 0.5000 0.0102 ( 2704 PWs) bands (ev): -51.8678 -51.8678 -42.1067 -42.1067 -24.4931 -24.4931 -21.3841 -21.3841 -21.2850 -21.2850 -16.4743 -16.4743 -8.9876 -8.9876 -8.6737 -8.6737 14.3532 14.3532 14.6147 14.6147 16.3871 16.3871 16.4288 16.4288 19.6360 19.6360 20.4281 20.4281 20.5873 20.5873 21.2303 21.2303 22.5204 22.5204 25.3068 25.3068 k = 0.5000 0.5000 0.0204 ( 2712 PWs) bands (ev): -51.8678 -51.8678 -42.1066 -42.1066 -24.4931 -24.4931 -21.3840 -21.3840 -21.2852 -21.2852 -16.4746 -16.4746 -8.9876 -8.9876 -8.6747 -8.6747 14.3596 14.3596 14.6212 14.6212 16.3869 16.3869 16.4280 16.4280 19.6362 19.6362 20.4283 20.4283 20.5756 20.5756 21.2142 21.2142 22.5254 22.5254 25.3204 25.3204 k = 0.5000 0.5000 0.0306 ( 2720 PWs) bands (ev): -51.8678 -51.8678 -42.1065 -42.1065 -24.4933 -24.4933 -21.3839 -21.3839 -21.2856 -21.2856 -16.4751 -16.4751 -8.9876 -8.9876 -8.6764 -8.6764 14.3703 14.3703 14.6320 14.6320 16.3866 16.3866 16.4268 16.4268 19.6366 19.6366 20.4287 20.4287 20.5562 20.5562 21.1878 21.1878 22.5337 22.5337 25.3429 25.3429 k = 0.5000 0.5000 0.0408 ( 2720 PWs) bands (ev): -51.8677 -51.8677 -42.1064 -42.1064 -24.4934 -24.4934 -21.3837 -21.3837 -21.2861 -21.2861 -16.4757 -16.4757 -8.9877 -8.9877 -8.6788 -8.6788 14.3851 14.3851 14.6471 14.6471 16.3862 16.3862 16.4251 16.4251 19.6371 19.6371 20.4293 20.4293 20.5295 20.5295 21.1516 21.1516 22.5453 22.5453 25.3741 25.3741 k = 0.5000 0.5000 0.0510 ( 2720 PWs) bands (ev): -51.8677 -51.8677 -42.1063 -42.1063 -24.4935 -24.4935 -21.3833 -21.3833 -21.2867 -21.2867 -16.4766 -16.4766 -8.9877 -8.9877 -8.6819 -8.6819 14.4041 14.4041 14.6665 14.6665 16.3858 16.3858 16.4229 16.4229 19.6378 19.6378 20.4299 20.4299 20.4957 20.4957 21.1062 21.1062 22.5603 22.5603 25.4136 25.4136 k = 0.5000 0.5000 0.0612 ( 2720 PWs) bands (ev): -51.8676 -51.8676 -42.1061 -42.1061 -24.4937 -24.4937 -21.3830 -21.3830 -21.2874 -21.2874 -16.4776 -16.4776 -8.9878 -8.9878 -8.6856 -8.6856 14.4273 14.4273 14.6902 14.6902 16.3852 16.3852 16.4203 16.4203 19.6387 19.6387 20.4307 20.4307 20.4554 20.4554 21.0523 21.0523 22.5786 22.5786 25.4609 25.4609 k = 0.5000 0.5000 0.0714 ( 2720 PWs) bands (ev): -51.8675 -51.8675 -42.1059 -42.1059 -24.4939 -24.4939 -21.3825 -21.3825 -21.2882 -21.2882 -16.4788 -16.4788 -8.9878 -8.9878 -8.6899 -8.6899 14.4544 14.4544 14.7181 14.7181 16.3847 16.3847 16.4173 16.4173 19.6396 19.6396 20.4089 20.4089 20.4315 20.4315 20.9908 20.9908 22.6003 22.6003 25.5157 25.5157 k = 0.5000 0.5000 0.0816 ( 2732 PWs) bands (ev): -51.8675 -51.8675 -42.1056 -42.1056 -24.4942 -24.4942 -21.3820 -21.3820 -21.2893 -21.2893 -16.4802 -16.4802 -8.9879 -8.9879 -8.6948 -8.6948 14.4854 14.4854 14.7502 14.7502 16.3841 16.3841 16.4139 16.4139 19.6408 19.6408 20.3569 20.3569 20.4322 20.4322 20.9224 20.9224 22.6254 22.6254 25.5773 25.5773 k = 0.5000 0.5000 0.0918 ( 2732 PWs) bands (ev): -51.8674 -51.8674 -42.1054 -42.1054 -24.4944 -24.4944 -21.3814 -21.3814 -21.2904 -21.2904 -16.4818 -16.4818 -8.9880 -8.9880 -8.7003 -8.7003 14.5203 14.5203 14.7865 14.7865 16.3836 16.3836 16.4103 16.4103 19.6420 19.6420 20.2998 20.2998 20.4329 20.4329 20.8481 20.8481 22.6538 22.6538 25.6454 25.6454 k = 0.5000 0.5000 0.1020 ( 2724 PWs) bands (ev): -51.8673 -51.8673 -42.1050 -42.1050 -24.4947 -24.4947 -21.3807 -21.3807 -21.2915 -21.2915 -16.4835 -16.4835 -8.9881 -8.9881 -8.7064 -8.7064 14.5588 14.5588 14.8268 14.8268 16.3832 16.3832 16.4063 16.4063 19.6433 19.6433 20.2382 20.2382 20.4333 20.4333 20.7687 20.7687 22.6858 22.6858 25.6961 25.6962 k = 0.5000 0.5000 0.1122 ( 2728 PWs) bands (ev): -51.8671 -51.8671 -42.1047 -42.1047 -24.4950 -24.4950 -21.3801 -21.3801 -21.2929 -21.2929 -16.4853 -16.4853 -8.9882 -8.9882 -8.7130 -8.7130 14.6009 14.6009 14.8713 14.8713 16.3829 16.3829 16.4022 16.4022 19.6448 19.6448 20.1727 20.1727 20.4333 20.4333 20.6851 20.6851 22.7211 22.7211 25.7256 25.7256 k = 0.5000 0.5000 0.1224 ( 2728 PWs) bands (ev): -51.8670 -51.8670 -42.1043 -42.1043 -24.4954 -24.4954 -21.3793 -21.3793 -21.2943 -21.2943 -16.4874 -16.4874 -8.9883 -8.9883 -8.7202 -8.7202 14.6464 14.6464 14.9197 14.9197 16.3828 16.3828 16.3979 16.3979 19.6463 19.6463 20.1037 20.1037 20.4323 20.4323 20.5986 20.5986 22.7600 22.7600 25.7490 25.7490 k = 0.5000 0.5000 0.1327 ( 2732 PWs) bands (ev): -51.8669 -51.8669 -42.1040 -42.1040 -24.4957 -24.4957 -21.3785 -21.3785 -21.2957 -21.2957 -16.4895 -16.4895 -8.9884 -8.9884 -8.7277 -8.7277 14.6951 14.6951 14.9721 14.9721 16.3829 16.3829 16.3935 16.3935 19.6478 19.6478 20.0318 20.0318 20.4275 20.4275 20.5124 20.5124 22.8024 22.8024 25.7678 25.7678 k = 0.5000 0.5000 0.1429 ( 2732 PWs) bands (ev): -51.8667 -51.8667 -42.1036 -42.1036 -24.4961 -24.4961 -21.3777 -21.3777 -21.2973 -21.2973 -16.4918 -16.4918 -8.9885 -8.9885 -8.7358 -8.7358 14.7469 14.7469 15.0284 15.0284 16.3833 16.3833 16.3891 16.3891 19.6493 19.6493 19.9575 19.9575 20.3926 20.3926 20.4534 20.4534 22.8484 22.8484 25.7834 25.7834 k = 0.5000 0.5000 0.1531 ( 2732 PWs) bands (ev): -51.8666 -51.8666 -42.1031 -42.1031 -24.4965 -24.4965 -21.3768 -21.3768 -21.2990 -21.2990 -16.4942 -16.4942 -8.9887 -8.9887 -8.7442 -8.7442 14.8015 14.8015 15.0884 15.0884 16.3840 16.3840 16.3847 16.3847 19.6506 19.6506 19.8814 19.8814 20.3074 20.3074 20.4423 20.4423 22.8980 22.8980 25.7967 25.7967 k = 0.5000 0.5000 0.1633 ( 2736 PWs) bands (ev): -51.8664 -51.8664 -42.1027 -42.1027 -24.4970 -24.4970 -21.3759 -21.3759 -21.3008 -21.3008 -16.4967 -16.4967 -8.9888 -8.9888 -8.7530 -8.7530 14.8588 14.8588 15.1522 15.1522 16.3804 16.3804 16.3851 16.3851 19.6512 19.6512 19.8045 19.8045 20.2123 20.2123 20.4390 20.4390 22.9514 22.9514 25.8085 25.8085 k = 0.5000 0.5000 0.1735 ( 2720 PWs) bands (ev): -51.8662 -51.8662 -42.1022 -42.1022 -24.4974 -24.4974 -21.3749 -21.3749 -21.3025 -21.3025 -16.4993 -16.4993 -8.9889 -8.9889 -8.7621 -8.7621 14.9185 14.9185 15.2195 15.2195 16.3763 16.3763 16.3867 16.3867 19.6485 19.6485 19.7297 19.7297 20.1147 20.1147 20.4365 20.4365 23.0084 23.0084 25.8192 25.8192 k = 0.5000 0.5000 0.1837 ( 2720 PWs) bands (ev): -51.8661 -51.8661 -42.1017 -42.1017 -24.4978 -24.4978 -21.3738 -21.3738 -21.3043 -21.3043 -16.5020 -16.5020 -8.9891 -8.9891 -8.7715 -8.7715 14.9804 14.9804 15.2904 15.2904 16.3725 16.3725 16.3888 16.3888 19.6216 19.6216 19.6781 19.6781 20.0159 20.0159 20.4337 20.4337 23.0692 23.0692 25.8292 25.8292 k = 0.5000 0.5000 0.1939 ( 2720 PWs) bands (ev): -51.8659 -51.8659 -42.1012 -42.1012 -24.4983 -24.4983 -21.3728 -21.3728 -21.3063 -21.3063 -16.5048 -16.5048 -8.9892 -8.9892 -8.7811 -8.7811 15.0443 15.0443 15.3647 15.3647 16.3690 16.3690 16.3914 16.3914 19.5518 19.5518 19.6689 19.6689 19.9165 19.9165 20.4304 20.4304 23.1338 23.1338 25.8386 25.8386 k = 0.5000 0.5000 0.2041 ( 2720 PWs) bands (ev): -51.8657 -51.8657 -42.1007 -42.1007 -24.4988 -24.4988 -21.3717 -21.3717 -21.3082 -21.3082 -16.5076 -16.5076 -8.9894 -8.9894 -8.7910 -8.7910 15.1098 15.1098 15.4423 15.4423 16.3658 16.3658 16.3947 16.3947 19.4728 19.4728 19.6688 19.6688 19.8169 19.8169 20.4261 20.4261 23.2024 23.2024 25.8476 25.8476 k = 0.5000 0.5000 0.2143 ( 2728 PWs) bands (ev): -51.8655 -51.8655 -42.1002 -42.1002 -24.4993 -24.4993 -21.3707 -21.3707 -21.3103 -21.3103 -16.5106 -16.5106 -8.9895 -8.9895 -8.8010 -8.8010 15.1767 15.1767 15.5230 15.5230 16.3632 16.3632 16.3987 16.3987 19.3922 19.3922 19.6702 19.6702 19.7175 19.7175 20.4209 20.4209 23.2748 23.2748 25.8563 25.8563 k = 0.5000 0.5000 0.2245 ( 2728 PWs) bands (ev): -51.8653 -51.8653 -42.0997 -42.0997 -24.4998 -24.4998 -21.3695 -21.3695 -21.3123 -21.3123 -16.5135 -16.5135 -8.9897 -8.9897 -8.8111 -8.8111 15.2447 15.2447 15.6067 15.6067 16.3611 16.3611 16.4035 16.4035 19.3113 19.3113 19.6184 19.6184 19.6722 19.6722 20.4146 20.4146 23.3512 23.3512 25.8648 25.8648 k = 0.5000 0.5000 0.2347 ( 2720 PWs) bands (ev): -51.8652 -51.8652 -42.0991 -42.0991 -24.5003 -24.5003 -21.3684 -21.3684 -21.3143 -21.3143 -16.5165 -16.5165 -8.9899 -8.9899 -8.8213 -8.8213 15.3134 15.3134 15.6932 15.6932 16.3597 16.3597 16.4091 16.4091 19.2307 19.2307 19.5201 19.5201 19.6744 19.6744 20.4070 20.4070 23.4315 23.4315 25.8732 25.8732 k = 0.5000 0.5000 0.2449 ( 2720 PWs) bands (ev): -51.8650 -51.8650 -42.0986 -42.0986 -24.5008 -24.5008 -21.3673 -21.3673 -21.3164 -21.3164 -16.5195 -16.5195 -8.9900 -8.9900 -8.8316 -8.8316 15.3826 15.3826 15.7824 15.7824 16.3590 16.3590 16.4157 16.4157 19.1507 19.1507 19.4227 19.4227 19.6768 19.6768 20.3979 20.3979 23.5159 23.5159 25.8813 25.8813 k = 0.5000 0.5000 0.2551 ( 2720 PWs) bands (ev): -51.8648 -51.8648 -42.0981 -42.0981 -24.5013 -24.5013 -21.3662 -21.3662 -21.3184 -21.3184 -16.5225 -16.5225 -8.9902 -8.9902 -8.8418 -8.8418 15.4519 15.4519 15.8740 15.8740 16.3592 16.3592 16.4232 16.4232 19.0716 19.0716 19.3264 19.3264 19.6792 19.6792 20.3873 20.3873 23.6043 23.6043 25.8893 25.8893 k = 0.5000 0.5000 0.2653 ( 2712 PWs) bands (ev): -51.8646 -51.8646 -42.0975 -42.0975 -24.5018 -24.5018 -21.3650 -21.3650 -21.3204 -21.3204 -16.5255 -16.5255 -8.9904 -8.9904 -8.8520 -8.8520 15.5209 15.5209 15.9677 15.9677 16.3604 16.3604 16.4319 16.4319 18.9935 18.9935 19.2313 19.2313 19.6817 19.6817 20.3750 20.3750 23.6967 23.6967 25.8972 25.8972 k = 0.5000 0.5000 0.2755 ( 2712 PWs) bands (ev): -51.8644 -51.8644 -42.0970 -42.0970 -24.5023 -24.5023 -21.3639 -21.3639 -21.3224 -21.3224 -16.5285 -16.5285 -8.9905 -8.9905 -8.8621 -8.8621 15.5893 15.5893 16.0631 16.0631 16.3626 16.3626 16.4420 16.4420 18.9168 18.9168 19.1378 19.1378 19.6842 19.6842 20.3608 20.3608 23.7932 23.7932 25.9049 25.9049 k = 0.5000 0.5000 0.2857 ( 2728 PWs) bands (ev): -51.8642 -51.8642 -42.0965 -42.0965 -24.5029 -24.5029 -21.3628 -21.3628 -21.3245 -21.3245 -16.5315 -16.5315 -8.9907 -8.9907 -8.8720 -8.8720 15.6565 15.6565 16.1597 16.1597 16.3661 16.3661 16.4539 16.4539 18.8415 18.8415 19.0459 19.0459 19.6867 19.6867 20.3446 20.3446 23.8935 23.8935 25.9125 25.9125 k = 0.5000 0.5000 0.2959 ( 2720 PWs) bands (ev): -51.8640 -51.8640 -42.0960 -42.0960 -24.5034 -24.5034 -21.3617 -21.3617 -21.3264 -21.3264 -16.5344 -16.5344 -8.9909 -8.9909 -8.8818 -8.8818 15.7222 15.7222 16.2560 16.2560 16.3710 16.3710 16.4686 16.4686 18.7679 18.7679 18.9559 18.9559 19.6892 19.6892 20.3263 20.3263 23.9978 23.9978 25.9199 25.9199 k = 0.5000 0.5000 0.3061 ( 2720 PWs) bands (ev): -51.8638 -51.8638 -42.0955 -42.0955 -24.5039 -24.5039 -21.3607 -21.3607 -21.3284 -21.3284 -16.5373 -16.5373 -8.9910 -8.9910 -8.8914 -8.8914 15.7858 15.7858 16.3484 16.3484 16.3775 16.3775 16.4898 16.4898 18.6962 18.6962 18.8678 18.8678 19.6917 19.6917 20.3058 20.3058 24.1058 24.1058 25.9271 25.9271 k = 0.5000 0.5000 0.3163 ( 2728 PWs) bands (ev): -51.8637 -51.8637 -42.0950 -42.0950 -24.5044 -24.5044 -21.3596 -21.3596 -21.3303 -21.3303 -16.5401 -16.5401 -8.9912 -8.9912 -8.9007 -8.9007 15.8469 15.8469 16.3859 16.3859 16.4241 16.4241 16.5298 16.5298 18.6265 18.6265 18.7818 18.7818 19.6941 19.6941 20.2830 20.2830 24.2174 24.2174 25.9341 25.9341 k = 0.5000 0.5000 0.3265 ( 2728 PWs) bands (ev): -51.8635 -51.8635 -42.0945 -42.0945 -24.5049 -24.5049 -21.3586 -21.3586 -21.3321 -21.3321 -16.5429 -16.5429 -8.9913 -8.9913 -8.9097 -8.9097 15.9048 15.9048 16.3964 16.3964 16.4670 16.4670 16.6043 16.6043 18.5589 18.5589 18.6982 18.6982 19.6964 19.6964 20.2578 20.2578 24.3324 24.3324 25.9409 25.9409 k = 0.5000 0.5000 0.3367 ( 2720 PWs) bands (ev): -51.8633 -51.8633 -42.0940 -42.0940 -24.5053 -24.5053 -21.3576 -21.3576 -21.3339 -21.3339 -16.5455 -16.5455 -8.9915 -8.9915 -8.9185 -8.9185 15.9588 15.9588 16.4093 16.4093 16.4916 16.4916 16.6986 16.6986 18.4938 18.4938 18.6170 18.6170 19.6987 19.6987 20.2302 20.2302 24.4506 24.4506 25.9475 25.9475 k = 0.5000 0.5000 0.3469 ( 2736 PWs) bands (ev): -51.8632 -51.8632 -42.0936 -42.0936 -24.5058 -24.5058 -21.3567 -21.3567 -21.3356 -21.3356 -16.5481 -16.5481 -8.9916 -8.9916 -8.9268 -8.9268 16.0085 16.0085 16.4250 16.4250 16.5112 16.5112 16.7989 16.7989 18.4311 18.4311 18.5385 18.5385 19.7010 19.7010 20.2001 20.2001 24.5716 24.5716 25.9538 25.9538 k = 0.5000 0.5000 0.3571 ( 2740 PWs) bands (ev): -51.8630 -51.8630 -42.0931 -42.0931 -24.5063 -24.5063 -21.3558 -21.3558 -21.3373 -21.3373 -16.5505 -16.5505 -8.9918 -8.9918 -8.9348 -8.9348 16.0533 16.0533 16.4436 16.4436 16.5295 16.5295 16.9010 16.9010 18.3711 18.3711 18.4628 18.4628 19.7031 19.7031 20.1677 20.1677 24.6949 24.6949 25.9599 25.9599 k = 0.5000 0.5000 0.3673 ( 2740 PWs) bands (ev): -51.8629 -51.8629 -42.0927 -42.0927 -24.5067 -24.5067 -21.3550 -21.3550 -21.3388 -21.3388 -16.5528 -16.5528 -8.9919 -8.9919 -8.9424 -8.9424 16.0929 16.0929 16.4651 16.4651 16.5475 16.5475 17.0032 17.0032 18.3140 18.3140 18.3902 18.3902 19.7051 19.7051 20.1330 20.1330 24.8200 24.8200 25.9657 25.9657 k = 0.5000 0.5000 0.3776 ( 2740 PWs) bands (ev): -51.8627 -51.8627 -42.0924 -42.0924 -24.5071 -24.5071 -21.3541 -21.3541 -21.3403 -21.3403 -16.5550 -16.5550 -8.9920 -8.9920 -8.9495 -8.9495 16.1271 16.1271 16.4892 16.4892 16.5657 16.5657 17.1045 17.1045 18.2598 18.2598 18.3208 18.3208 19.7071 19.7071 20.0961 20.0961 24.9462 24.9462 25.9711 25.9711 k = 0.5000 0.5000 0.3878 ( 2740 PWs) bands (ev): -51.8626 -51.8626 -42.0920 -42.0920 -24.5074 -24.5074 -21.3534 -21.3534 -21.3416 -21.3416 -16.5571 -16.5571 -8.9921 -8.9921 -8.9562 -8.9562 16.1563 16.1563 16.5156 16.5156 16.5839 16.5839 17.2041 17.2041 18.2090 18.2090 18.2550 18.2550 19.7089 19.7089 20.0575 20.0575 25.0726 25.0726 25.9763 25.9763 k = 0.5000 0.5000 0.3980 ( 2740 PWs) bands (ev): -51.8625 -51.8625 -42.0917 -42.0917 -24.5078 -24.5078 -21.3527 -21.3527 -21.3429 -21.3429 -16.5590 -16.5590 -8.9922 -8.9922 -8.9623 -8.9623 16.1808 16.1808 16.5433 16.5433 16.6022 16.6022 17.3011 17.3011 18.1615 18.1615 18.1929 18.1929 19.7106 19.7106 20.0174 20.0174 25.1983 25.1983 25.9811 25.9811 k = 0.5000 0.5000 0.4082 ( 2740 PWs) bands (ev): -51.8624 -51.8624 -42.0914 -42.0914 -24.5081 -24.5081 -21.3520 -21.3520 -21.3440 -21.3440 -16.5607 -16.5607 -8.9923 -8.9923 -8.9680 -8.9680 16.2012 16.2012 16.5714 16.5714 16.6204 16.6204 17.3947 17.3947 18.1176 18.1176 18.1350 18.1350 19.7121 19.7121 19.9763 19.9763 25.3218 25.3218 25.9856 25.9856 k = 0.5000 0.5000 0.4184 ( 2736 PWs) bands (ev): -51.8623 -51.8623 -42.0911 -42.0911 -24.5083 -24.5083 -21.3515 -21.3515 -21.3450 -21.3450 -16.5623 -16.5623 -8.9924 -8.9924 -8.9730 -8.9730 16.2181 16.2181 16.5991 16.5991 16.6381 16.6381 17.4837 17.4837 18.0775 18.0775 18.0817 18.0817 19.7135 19.7135 19.9349 19.9349 25.4417 25.4417 25.9897 25.9897 k = 0.5000 0.5000 0.4286 ( 2752 PWs) bands (ev): -51.8622 -51.8622 -42.0908 -42.0908 -24.5086 -24.5086 -21.3510 -21.3510 -21.3460 -21.3460 -16.5637 -16.5637 -8.9925 -8.9925 -8.9776 -8.9776 16.2321 16.2321 16.6254 16.6254 16.6552 16.6552 17.5670 17.5670 18.0333 18.0333 18.0414 18.0414 19.7148 19.7148 19.8940 19.8940 25.5561 25.5561 25.9934 25.9934 k = 0.5000 0.5000 0.4388 ( 2752 PWs) bands (ev): -51.8621 -51.8621 -42.0906 -42.0906 -24.5089 -24.5089 -21.3505 -21.3505 -21.3468 -21.3468 -16.5650 -16.5650 -8.9926 -8.9926 -8.9816 -8.9816 16.2437 16.2437 16.6496 16.6496 16.6712 16.6712 17.6432 17.6432 17.9907 17.9907 18.0095 18.0095 19.7159 19.7159 19.8545 19.8545 25.6629 25.6629 25.9967 25.9967 k = 0.5000 0.5000 0.4490 ( 2760 PWs) bands (ev): -51.8620 -51.8620 -42.0904 -42.0904 -24.5091 -24.5091 -21.3502 -21.3502 -21.3475 -21.3475 -16.5660 -16.5660 -8.9927 -8.9927 -8.9850 -8.9850 16.2530 16.2530 16.6711 16.6711 16.6859 16.6859 17.7103 17.7103 17.9545 17.9545 17.9821 17.9821 19.7168 19.7168 19.8177 19.8177 25.7596 25.7596 25.9995 25.9995 k = 0.5000 0.5000 0.4592 ( 2768 PWs) bands (ev): -51.8620 -51.8620 -42.0903 -42.0903 -24.5093 -24.5093 -21.3499 -21.3499 -21.3481 -21.3481 -16.5669 -16.5669 -8.9927 -8.9927 -8.9878 -8.9878 16.2605 16.2605 16.6894 16.6894 16.6986 16.6986 17.7659 17.7659 17.9265 17.9265 17.9593 17.9593 19.7176 19.7176 19.7849 19.7849 25.8438 25.8438 26.0019 26.0019 k = 0.5000 0.5000 0.4694 ( 2792 PWs) bands (ev): -51.8620 -51.8620 -42.0902 -42.0902 -24.5095 -24.5095 -21.3497 -21.3497 -21.3487 -21.3487 -16.5676 -16.5676 -8.9928 -8.9928 -8.9900 -8.9900 16.2661 16.2661 16.7040 16.7040 16.7091 16.7091 17.8057 17.8057 17.9095 17.9095 17.9414 17.9414 19.7182 19.7182 19.7574 19.7574 25.9127 25.9127 26.0038 26.0038 k = 0.5000 0.5000 0.4796 ( 2800 PWs) bands (ev): -51.8619 -51.8619 -42.0901 -42.0901 -24.5096 -24.5096 -21.3495 -21.3495 -21.3491 -21.3491 -16.5681 -16.5681 -8.9928 -8.9928 -8.9916 -8.9916 16.2701 16.2701 16.7147 16.7147 16.7169 16.7169 17.8252 17.8252 17.9074 17.9074 17.9285 17.9285 19.7187 19.7187 19.7365 19.7365 25.9639 25.9639 26.0052 26.0052 k = 0.5000 0.5000 0.4898 ( 2800 PWs) bands (ev): -51.8619 -51.8619 -42.0901 -42.0901 -24.5097 -24.5097 -21.3494 -21.3494 -21.3493 -21.3493 -16.5684 -16.5684 -8.9928 -8.9928 -8.9925 -8.9925 16.2725 16.2725 16.7212 16.7212 16.7218 16.7218 17.8291 17.8291 17.9143 17.9143 17.9206 17.9206 19.7189 19.7189 19.7234 19.7234 25.9956 25.9956 26.0060 26.0060 k = 0.5000 0.5000 0.5000 ( 2800 PWs) bands (ev): -51.8619 -51.8619 -42.0901 -42.0901 -24.5097 -24.5097 -21.3494 -21.3494 -21.3494 -21.3494 -16.5685 -16.5685 -8.9928 -8.9928 -8.9928 -8.9928 16.2733 16.2733 16.7234 16.7234 16.7234 16.7234 17.8290 17.8290 17.9180 17.9180 17.9180 17.9180 19.7190 19.7190 19.7190 19.7190 26.0063 26.0063 26.0063 26.0063 Writing output data file HfRu.save init_run : 0.08s CPU 0.20s WALL ( 1 calls) electrons : 51.25s CPU 52.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 51.24s CPU 52.63s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 376 calls) cegterg : 46.42s CPU 47.40s WALL ( 392 calls) Called by sum_band: Called by *egterg: h_psi : 23.48s CPU 24.81s WALL ( 5386 calls) s_psi : 0.82s CPU 0.81s WALL ( 5386 calls) g_psi : 0.09s CPU 0.09s WALL ( 4618 calls) cdiaghg : 20.88s CPU 20.53s WALL ( 4994 calls) cegterg:over : 1.88s CPU 1.89s WALL ( 4618 calls) cegterg:upda : 1.20s CPU 1.28s WALL ( 4618 calls) cegterg:last : 0.74s CPU 0.96s WALL ( 1107 calls) cdiaghg:chol : 1.12s CPU 1.07s WALL ( 4994 calls) cdiaghg:inve : 0.54s CPU 0.56s WALL ( 4994 calls) cdiaghg:para : 1.13s CPU 1.22s WALL ( 9988 calls) Called by h_psi: h_psi:vloc : 20.57s CPU 21.86s WALL ( 5386 calls) h_psi:vnl : 2.88s CPU 2.89s WALL ( 5386 calls) add_vuspsi : 1.60s CPU 1.57s WALL ( 5386 calls) General routines calbec : 1.27s CPU 1.30s WALL ( 5386 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 19.58s CPU 20.79s WALL ( 469396 calls) davcio : 0.11s CPU 0.14s WALL ( 752 calls) Parallel routines fft_scatter : 9.70s CPU 10.48s WALL ( 469411 calls) PWSCF : 1m 1.64s CPU 1m12.40s WALL This run was terminated on: 18:58:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=