Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:30:28 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: ./TlBi.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 23 7 1963 493 83 Max 58 24 8 1966 505 87 Sum 2077 829 253 70751 17941 3071 bravais-lattice index = 14 lattice parameter (alat) = 7.5400 a.u. unit-cell volume = 428.6622 (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 = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.540007 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 Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) Bi 15.00 208.98040 Bi( 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= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 70751 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 17941 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 132, 36) NL pseudopotentials 0.07 Mb ( 66, 68) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1966) G-vector shells 0.00 Mb ( 427) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 132, 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 : ./TlBi.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.6 secs Computing kpt #: 11 total cpu time spent up to now is 3.7 secs Computing kpt #: 12 total cpu time spent up to now is 3.9 secs Computing kpt #: 13 total cpu time spent up to now is 4.1 secs Computing kpt #: 14 total cpu time spent up to now is 4.2 secs Computing kpt #: 15 total cpu time spent up to now is 4.4 secs Computing kpt #: 16 total cpu time spent up to now is 4.6 secs Computing kpt #: 17 total cpu time spent up to now is 4.8 secs Computing kpt #: 18 total cpu time spent up to now is 4.9 secs Computing kpt #: 19 total cpu time spent up to now is 5.1 secs Computing kpt #: 20 total cpu time spent up to now is 5.3 secs Computing kpt #: 21 total cpu time spent up to now is 5.4 secs Computing kpt #: 22 total cpu time spent up to now is 5.6 secs Computing kpt #: 23 total cpu time spent up to now is 5.8 secs Computing kpt #: 24 total cpu time spent up to now is 5.9 secs Computing kpt #: 25 total cpu time spent up to now is 6.1 secs Computing kpt #: 26 total cpu time spent up to now is 6.3 secs Computing kpt #: 27 total cpu time spent up to now is 6.5 secs Computing kpt #: 28 total cpu time spent up to now is 6.6 secs Computing kpt #: 29 total cpu time spent up to now is 6.8 secs Computing kpt #: 30 total cpu time spent up to now is 6.9 secs Computing kpt #: 31 total cpu time spent up to now is 7.1 secs Computing kpt #: 32 total cpu time spent up to now is 7.2 secs Computing kpt #: 33 total cpu time spent up to now is 7.4 secs Computing kpt #: 34 total cpu time spent up to now is 7.5 secs Computing kpt #: 35 total cpu time spent up to now is 7.7 secs Computing kpt #: 36 total cpu time spent up to now is 7.8 secs Computing kpt #: 37 total cpu time spent up to now is 7.9 secs Computing kpt #: 38 total cpu time spent up to now is 8.1 secs Computing kpt #: 39 total cpu time spent up to now is 8.2 secs Computing kpt #: 40 total cpu time spent up to now is 8.3 secs Computing kpt #: 41 total cpu time spent up to now is 8.5 secs Computing kpt #: 42 total cpu time spent up to now is 8.6 secs Computing kpt #: 43 total cpu time spent up to now is 8.7 secs Computing kpt #: 44 total cpu time spent up to now is 8.9 secs Computing kpt #: 45 total cpu time spent up to now is 9.0 secs Computing kpt #: 46 total cpu time spent up to now is 9.1 secs Computing kpt #: 47 total cpu time spent up to now is 9.3 secs Computing kpt #: 48 total cpu time spent up to now is 9.4 secs Computing kpt #: 49 total cpu time spent up to now is 9.6 secs Computing kpt #: 50 total cpu time spent up to now is 9.7 secs Computing kpt #: 51 total cpu time spent up to now is 9.8 secs Computing kpt #: 52 total cpu time spent up to now is 10.0 secs Computing kpt #: 53 total cpu time spent up to now is 10.1 secs Computing kpt #: 54 total cpu time spent up to now is 10.3 secs Computing kpt #: 55 total cpu time spent up to now is 10.4 secs Computing kpt #: 56 total cpu time spent up to now is 10.5 secs Computing kpt #: 57 total cpu time spent up to now is 10.7 secs Computing kpt #: 58 total cpu time spent up to now is 10.8 secs Computing kpt #: 59 total cpu time spent up to now is 10.9 secs Computing kpt #: 60 total cpu time spent up to now is 11.1 secs Computing kpt #: 61 total cpu time spent up to now is 11.2 secs Computing kpt #: 62 total cpu time spent up to now is 11.3 secs Computing kpt #: 63 total cpu time spent up to now is 11.5 secs Computing kpt #: 64 total cpu time spent up to now is 11.6 secs Computing kpt #: 65 total cpu time spent up to now is 11.7 secs Computing kpt #: 66 total cpu time spent up to now is 11.9 secs Computing kpt #: 67 total cpu time spent up to now is 12.0 secs Computing kpt #: 68 total cpu time spent up to now is 12.1 secs Computing kpt #: 69 total cpu time spent up to now is 12.3 secs Computing kpt #: 70 total cpu time spent up to now is 12.4 secs Computing kpt #: 71 total cpu time spent up to now is 12.6 secs Computing kpt #: 72 total cpu time spent up to now is 12.7 secs Computing kpt #: 73 total cpu time spent up to now is 12.8 secs Computing kpt #: 74 total cpu time spent up to now is 13.0 secs Computing kpt #: 75 total cpu time spent up to now is 13.1 secs Computing kpt #: 76 total cpu time spent up to now is 13.2 secs Computing kpt #: 77 total cpu time spent up to now is 13.4 secs Computing kpt #: 78 total cpu time spent up to now is 13.5 secs Computing kpt #: 79 total cpu time spent up to now is 13.7 secs Computing kpt #: 80 total cpu time spent up to now is 13.8 secs Computing kpt #: 81 total cpu time spent up to now is 14.0 secs Computing kpt #: 82 total cpu time spent up to now is 14.1 secs Computing kpt #: 83 total cpu time spent up to now is 14.2 secs Computing kpt #: 84 total cpu time spent up to now is 14.4 secs Computing kpt #: 85 total cpu time spent up to now is 14.5 secs Computing kpt #: 86 total cpu time spent up to now is 14.7 secs Computing kpt #: 87 total cpu time spent up to now is 14.8 secs Computing kpt #: 88 total cpu time spent up to now is 15.0 secs Computing kpt #: 89 total cpu time spent up to now is 15.1 secs Computing kpt #: 90 total cpu time spent up to now is 15.3 secs Computing kpt #: 91 total cpu time spent up to now is 15.4 secs Computing kpt #: 92 total cpu time spent up to now is 15.6 secs Computing kpt #: 93 total cpu time spent up to now is 15.7 secs Computing kpt #: 94 total cpu time spent up to now is 15.8 secs Computing kpt #: 95 total cpu time spent up to now is 16.0 secs Computing kpt #: 96 total cpu time spent up to now is 16.1 secs Computing kpt #: 97 total cpu time spent up to now is 16.2 secs Computing kpt #: 98 total cpu time spent up to now is 16.4 secs Computing kpt #: 99 total cpu time spent up to now is 16.5 secs Computing kpt #: 100 total cpu time spent up to now is 16.6 secs Computing kpt #: 101 total cpu time spent up to now is 16.8 secs Computing kpt #: 102 total cpu time spent up to now is 16.9 secs Computing kpt #: 103 total cpu time spent up to now is 17.0 secs Computing kpt #: 104 total cpu time spent up to now is 17.2 secs Computing kpt #: 105 total cpu time spent up to now is 17.3 secs Computing kpt #: 106 total cpu time spent up to now is 17.5 secs Computing kpt #: 107 total cpu time spent up to now is 17.6 secs Computing kpt #: 108 total cpu time spent up to now is 17.7 secs Computing kpt #: 109 total cpu time spent up to now is 17.9 secs Computing kpt #: 110 total cpu time spent up to now is 18.0 secs Computing kpt #: 111 total cpu time spent up to now is 18.2 secs Computing kpt #: 112 total cpu time spent up to now is 18.3 secs Computing kpt #: 113 total cpu time spent up to now is 18.5 secs Computing kpt #: 114 total cpu time spent up to now is 18.7 secs Computing kpt #: 115 total cpu time spent up to now is 18.9 secs Computing kpt #: 116 total cpu time spent up to now is 19.0 secs Computing kpt #: 117 total cpu time spent up to now is 19.2 secs Computing kpt #: 118 total cpu time spent up to now is 19.4 secs Computing kpt #: 119 total cpu time spent up to now is 19.5 secs Computing kpt #: 120 total cpu time spent up to now is 19.7 secs Computing kpt #: 121 total cpu time spent up to now is 19.8 secs Computing kpt #: 122 total cpu time spent up to now is 20.0 secs Computing kpt #: 123 total cpu time spent up to now is 20.2 secs Computing kpt #: 124 total cpu time spent up to now is 20.4 secs Computing kpt #: 125 total cpu time spent up to now is 20.5 secs Computing kpt #: 126 total cpu time spent up to now is 20.7 secs Computing kpt #: 127 total cpu time spent up to now is 20.9 secs Computing kpt #: 128 total cpu time spent up to now is 21.0 secs Computing kpt #: 129 total cpu time spent up to now is 21.2 secs Computing kpt #: 130 total cpu time spent up to now is 21.3 secs Computing kpt #: 131 total cpu time spent up to now is 21.5 secs Computing kpt #: 132 total cpu time spent up to now is 21.6 secs Computing kpt #: 133 total cpu time spent up to now is 21.8 secs Computing kpt #: 134 total cpu time spent up to now is 21.9 secs Computing kpt #: 135 total cpu time spent up to now is 22.1 secs Computing kpt #: 136 total cpu time spent up to now is 22.2 secs Computing kpt #: 137 total cpu time spent up to now is 22.4 secs Computing kpt #: 138 total cpu time spent up to now is 22.5 secs Computing kpt #: 139 total cpu time spent up to now is 22.7 secs Computing kpt #: 140 total cpu time spent up to now is 22.8 secs Computing kpt #: 141 total cpu time spent up to now is 23.0 secs Computing kpt #: 142 total cpu time spent up to now is 23.1 secs Computing kpt #: 143 total cpu time spent up to now is 23.3 secs Computing kpt #: 144 total cpu time spent up to now is 23.4 secs Computing kpt #: 145 total cpu time spent up to now is 23.6 secs Computing kpt #: 146 total cpu time spent up to now is 23.7 secs Computing kpt #: 147 total cpu time spent up to now is 23.9 secs Computing kpt #: 148 total cpu time spent up to now is 24.0 secs Computing kpt #: 149 total cpu time spent up to now is 24.2 secs Computing kpt #: 150 total cpu time spent up to now is 24.3 secs Computing kpt #: 151 total cpu time spent up to now is 24.5 secs Computing kpt #: 152 total cpu time spent up to now is 24.6 secs Computing kpt #: 153 total cpu time spent up to now is 24.8 secs Computing kpt #: 154 total cpu time spent up to now is 25.0 secs Computing kpt #: 155 total cpu time spent up to now is 25.1 secs Computing kpt #: 156 total cpu time spent up to now is 25.3 secs Computing kpt #: 157 total cpu time spent up to now is 25.5 secs Computing kpt #: 158 total cpu time spent up to now is 25.7 secs Computing kpt #: 159 total cpu time spent up to now is 25.8 secs Computing kpt #: 160 total cpu time spent up to now is 26.0 secs Computing kpt #: 161 total cpu time spent up to now is 26.2 secs Computing kpt #: 162 total cpu time spent up to now is 26.3 secs Computing kpt #: 163 total cpu time spent up to now is 26.5 secs Computing kpt #: 164 total cpu time spent up to now is 26.6 secs Computing kpt #: 165 total cpu time spent up to now is 26.7 secs Computing kpt #: 166 total cpu time spent up to now is 26.9 secs Computing kpt #: 167 total cpu time spent up to now is 27.0 secs Computing kpt #: 168 total cpu time spent up to now is 27.1 secs Computing kpt #: 169 total cpu time spent up to now is 27.3 secs Computing kpt #: 170 total cpu time spent up to now is 27.4 secs Computing kpt #: 171 total cpu time spent up to now is 27.5 secs Computing kpt #: 172 total cpu time spent up to now is 27.7 secs Computing kpt #: 173 total cpu time spent up to now is 27.8 secs Computing kpt #: 174 total cpu time spent up to now is 27.9 secs Computing kpt #: 175 total cpu time spent up to now is 28.1 secs Computing kpt #: 176 total cpu time spent up to now is 28.2 secs Computing kpt #: 177 total cpu time spent up to now is 28.3 secs Computing kpt #: 178 total cpu time spent up to now is 28.4 secs Computing kpt #: 179 total cpu time spent up to now is 28.6 secs Computing kpt #: 180 total cpu time spent up to now is 28.7 secs Computing kpt #: 181 total cpu time spent up to now is 28.8 secs Computing kpt #: 182 total cpu time spent up to now is 28.9 secs Computing kpt #: 183 total cpu time spent up to now is 29.1 secs Computing kpt #: 184 total cpu time spent up to now is 29.2 secs Computing kpt #: 185 total cpu time spent up to now is 29.3 secs Computing kpt #: 186 total cpu time spent up to now is 29.4 secs Computing kpt #: 187 total cpu time spent up to now is 29.5 secs Computing kpt #: 188 total cpu time spent up to now is 29.7 secs Computing kpt #: 189 total cpu time spent up to now is 29.8 secs Computing kpt #: 190 total cpu time spent up to now is 29.9 secs Computing kpt #: 191 total cpu time spent up to now is 30.0 secs Computing kpt #: 192 total cpu time spent up to now is 30.1 secs Computing kpt #: 193 total cpu time spent up to now is 30.3 secs Computing kpt #: 194 total cpu time spent up to now is 30.4 secs Computing kpt #: 195 total cpu time spent up to now is 30.5 secs Computing kpt #: 196 total cpu time spent up to now is 30.6 secs Computing kpt #: 197 total cpu time spent up to now is 30.7 secs Computing kpt #: 198 total cpu time spent up to now is 30.9 secs Computing kpt #: 199 total cpu time spent up to now is 31.0 secs Computing kpt #: 200 total cpu time spent up to now is 31.1 secs Computing kpt #: 201 total cpu time spent up to now is 31.2 secs Computing kpt #: 202 total cpu time spent up to now is 31.3 secs Computing kpt #: 203 total cpu time spent up to now is 31.5 secs Computing kpt #: 204 total cpu time spent up to now is 31.6 secs Computing kpt #: 205 total cpu time spent up to now is 31.7 secs Computing kpt #: 206 total cpu time spent up to now is 31.8 secs Computing kpt #: 207 total cpu time spent up to now is 31.9 secs Computing kpt #: 208 total cpu time spent up to now is 32.0 secs Computing kpt #: 209 total cpu time spent up to now is 32.2 secs Computing kpt #: 210 total cpu time spent up to now is 32.3 secs Computing kpt #: 211 total cpu time spent up to now is 32.4 secs Computing kpt #: 212 total cpu time spent up to now is 32.5 secs Computing kpt #: 213 total cpu time spent up to now is 32.6 secs Computing kpt #: 214 total cpu time spent up to now is 32.7 secs Computing kpt #: 215 total cpu time spent up to now is 32.9 secs Computing kpt #: 216 total cpu time spent up to now is 33.0 secs Computing kpt #: 217 total cpu time spent up to now is 33.1 secs Computing kpt #: 218 total cpu time spent up to now is 33.2 secs Computing kpt #: 219 total cpu time spent up to now is 33.3 secs Computing kpt #: 220 total cpu time spent up to now is 33.5 secs Computing kpt #: 221 total cpu time spent up to now is 33.6 secs Computing kpt #: 222 total cpu time spent up to now is 33.7 secs Computing kpt #: 223 total cpu time spent up to now is 33.8 secs Computing kpt #: 224 total cpu time spent up to now is 33.9 secs Computing kpt #: 225 total cpu time spent up to now is 34.1 secs Computing kpt #: 226 total cpu time spent up to now is 34.2 secs Computing kpt #: 227 total cpu time spent up to now is 34.3 secs Computing kpt #: 228 total cpu time spent up to now is 34.4 secs Computing kpt #: 229 total cpu time spent up to now is 34.5 secs Computing kpt #: 230 total cpu time spent up to now is 34.7 secs Computing kpt #: 231 total cpu time spent up to now is 34.9 secs Computing kpt #: 232 total cpu time spent up to now is 35.0 secs Computing kpt #: 233 total cpu time spent up to now is 35.1 secs Computing kpt #: 234 total cpu time spent up to now is 35.2 secs Computing kpt #: 235 total cpu time spent up to now is 35.4 secs Computing kpt #: 236 total cpu time spent up to now is 35.5 secs Computing kpt #: 237 total cpu time spent up to now is 35.6 secs Computing kpt #: 238 total cpu time spent up to now is 35.7 secs Computing kpt #: 239 total cpu time spent up to now is 35.9 secs Computing kpt #: 240 total cpu time spent up to now is 36.0 secs Computing kpt #: 241 total cpu time spent up to now is 36.1 secs Computing kpt #: 242 total cpu time spent up to now is 36.3 secs Computing kpt #: 243 total cpu time spent up to now is 36.4 secs Computing kpt #: 244 total cpu time spent up to now is 36.5 secs Computing kpt #: 245 total cpu time spent up to now is 36.6 secs Computing kpt #: 246 total cpu time spent up to now is 36.8 secs Computing kpt #: 247 total cpu time spent up to now is 36.9 secs Computing kpt #: 248 total cpu time spent up to now is 37.1 secs Computing kpt #: 249 total cpu time spent up to now is 37.2 secs Computing kpt #: 250 total cpu time spent up to now is 37.3 secs Computing kpt #: 251 total cpu time spent up to now is 37.5 secs Computing kpt #: 252 total cpu time spent up to now is 37.6 secs Computing kpt #: 253 total cpu time spent up to now is 37.8 secs Computing kpt #: 254 total cpu time spent up to now is 37.9 secs Computing kpt #: 255 total cpu time spent up to now is 38.0 secs Computing kpt #: 256 total cpu time spent up to now is 38.2 secs Computing kpt #: 257 total cpu time spent up to now is 38.3 secs Computing kpt #: 258 total cpu time spent up to now is 38.5 secs Computing kpt #: 259 total cpu time spent up to now is 38.6 secs Computing kpt #: 260 total cpu time spent up to now is 38.8 secs Computing kpt #: 261 total cpu time spent up to now is 38.9 secs Computing kpt #: 262 total cpu time spent up to now is 39.0 secs Computing kpt #: 263 total cpu time spent up to now is 39.2 secs Computing kpt #: 264 total cpu time spent up to now is 39.3 secs Computing kpt #: 265 total cpu time spent up to now is 39.4 secs Computing kpt #: 266 total cpu time spent up to now is 39.6 secs Computing kpt #: 267 total cpu time spent up to now is 39.7 secs Computing kpt #: 268 total cpu time spent up to now is 39.8 secs Computing kpt #: 269 total cpu time spent up to now is 40.0 secs Computing kpt #: 270 total cpu time spent up to now is 40.1 secs Computing kpt #: 271 total cpu time spent up to now is 40.3 secs Computing kpt #: 272 total cpu time spent up to now is 40.4 secs Computing kpt #: 273 total cpu time spent up to now is 40.5 secs Computing kpt #: 274 total cpu time spent up to now is 40.7 secs Computing kpt #: 275 total cpu time spent up to now is 40.8 secs Computing kpt #: 276 total cpu time spent up to now is 40.9 secs Computing kpt #: 277 total cpu time spent up to now is 41.1 secs Computing kpt #: 278 total cpu time spent up to now is 41.2 secs Computing kpt #: 279 total cpu time spent up to now is 41.3 secs Computing kpt #: 280 total cpu time spent up to now is 41.4 secs Computing kpt #: 281 total cpu time spent up to now is 41.6 secs Computing kpt #: 282 total cpu time spent up to now is 41.7 secs Computing kpt #: 283 total cpu time spent up to now is 41.8 secs Computing kpt #: 284 total cpu time spent up to now is 41.9 secs Computing kpt #: 285 total cpu time spent up to now is 42.1 secs Computing kpt #: 286 total cpu time spent up to now is 42.2 secs Computing kpt #: 287 total cpu time spent up to now is 42.3 secs Computing kpt #: 288 total cpu time spent up to now is 42.4 secs Computing kpt #: 289 total cpu time spent up to now is 42.5 secs Computing kpt #: 290 total cpu time spent up to now is 42.7 secs Computing kpt #: 291 total cpu time spent up to now is 42.8 secs Computing kpt #: 292 total cpu time spent up to now is 42.9 secs Computing kpt #: 293 total cpu time spent up to now is 43.0 secs Computing kpt #: 294 total cpu time spent up to now is 43.2 secs Computing kpt #: 295 total cpu time spent up to now is 43.3 secs Computing kpt #: 296 total cpu time spent up to now is 43.4 secs Computing kpt #: 297 total cpu time spent up to now is 43.5 secs Computing kpt #: 298 total cpu time spent up to now is 43.6 secs Computing kpt #: 299 total cpu time spent up to now is 43.8 secs Computing kpt #: 300 total cpu time spent up to now is 43.9 secs Computing kpt #: 301 total cpu time spent up to now is 44.0 secs Computing kpt #: 302 total cpu time spent up to now is 44.1 secs Computing kpt #: 303 total cpu time spent up to now is 44.2 secs Computing kpt #: 304 total cpu time spent up to now is 44.4 secs Computing kpt #: 305 total cpu time spent up to now is 44.5 secs Computing kpt #: 306 total cpu time spent up to now is 44.6 secs Computing kpt #: 307 total cpu time spent up to now is 44.7 secs ethr = 3.57E-08, avg # of iterations = 12.8 total cpu time spent up to now is 44.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9997 -10.9997 -10.9997 -10.9997 -10.9768 -10.9768 -2.2899 -2.2899 -2.2899 -2.2899 -1.6322 -1.6322 -0.1560 -0.1560 -0.1560 -0.1560 -0.0430 -0.0430 5.6895 5.6895 8.3960 8.3960 10.4783 10.4783 10.4783 10.4783 15.1777 15.1777 15.1777 15.1777 15.5718 15.5718 k = 0.0000 0.0125-0.0000 ( 2301 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9997 -10.9997 -10.9996 -10.9996 -10.9768 -10.9768 -2.2900 -2.2900 -2.2899 -2.2899 -1.6310 -1.6310 -0.1560 -0.1560 -0.1559 -0.1559 -0.0431 -0.0431 5.6853 5.6853 8.3977 8.3977 10.4774 10.4774 10.4802 10.4802 15.1787 15.1787 15.1852 15.1852 15.5683 15.5683 k = 0.0000 0.0250-0.0000 ( 2281 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9997 -10.9997 -10.9995 -10.9995 -10.9768 -10.9768 -2.2900 -2.2900 -2.2898 -2.2898 -1.6274 -1.6274 -0.1560 -0.1560 -0.1557 -0.1557 -0.0434 -0.0434 5.6728 5.6728 8.4027 8.4027 10.4748 10.4748 10.4857 10.4857 15.1816 15.1816 15.2069 15.2069 15.5588 15.5588 k = 0.0000 0.0375-0.0000 ( 2269 PWs) bands (ev): -13.9732 -13.9732 -13.9731 -13.9731 -10.9997 -10.9997 -10.9994 -10.9994 -10.9769 -10.9769 -2.2901 -2.2901 -2.2897 -2.2897 -1.6215 -1.6215 -0.1561 -0.1561 -0.1554 -0.1554 -0.0438 -0.0438 5.6520 5.6520 8.4110 8.4110 10.4707 10.4707 10.4950 10.4950 15.1864 15.1864 15.2396 15.2396 15.5462 15.5462 k = 0.0000 0.0500-0.0000 ( 2269 PWs) bands (ev): -13.9732 -13.9732 -13.9730 -13.9730 -10.9997 -10.9997 -10.9991 -10.9991 -10.9770 -10.9770 -2.2902 -2.2902 -2.2895 -2.2895 -1.6132 -1.6132 -0.1561 -0.1561 -0.1549 -0.1549 -0.0445 -0.0445 5.6232 5.6232 8.4225 8.4225 10.4655 10.4655 10.5079 10.5079 15.1932 15.1932 15.2749 15.2749 15.5385 15.5385 k = 0.0000 0.0625-0.0000 ( 2273 PWs) bands (ev): -13.9732 -13.9732 -13.9729 -13.9729 -10.9996 -10.9996 -10.9988 -10.9988 -10.9771 -10.9771 -2.2903 -2.2903 -2.2893 -2.2893 -1.6025 -1.6025 -0.1562 -0.1562 -0.1543 -0.1543 -0.0454 -0.0454 5.5865 5.5865 8.4372 8.4372 10.4596 10.4596 10.5246 10.5246 15.2019 15.2019 15.2948 15.2948 15.5531 15.5531 k = 0.0000 0.0750-0.0000 ( 2273 PWs) bands (ev): -13.9733 -13.9733 -13.9728 -13.9728 -10.9996 -10.9996 -10.9985 -10.9985 -10.9772 -10.9772 -2.2905 -2.2905 -2.2890 -2.2890 -1.5895 -1.5895 -0.1563 -0.1563 -0.1535 -0.1535 -0.0464 -0.0464 5.5422 5.5422 8.4550 8.4550 10.4537 10.4537 10.5448 10.5448 15.2126 15.2126 15.2823 15.2823 15.6066 15.6066 k = 0.0000 0.0875-0.0000 ( 2269 PWs) bands (ev): -13.9733 -13.9733 -13.9727 -13.9727 -10.9996 -10.9996 -10.9980 -10.9980 -10.9773 -10.9773 -2.2906 -2.2906 -2.2887 -2.2887 -1.5742 -1.5742 -0.1564 -0.1564 -0.1526 -0.1526 -0.0476 -0.0476 5.4907 5.4907 8.4759 8.4759 10.4483 10.4483 10.5687 10.5687 15.2252 15.2252 15.2403 15.2403 15.6955 15.6955 k = 0.0000 0.1000-0.0000 ( 2265 PWs) bands (ev): -13.9733 -13.9733 -13.9725 -13.9725 -10.9996 -10.9996 -10.9975 -10.9975 -10.9775 -10.9775 -2.2908 -2.2908 -2.2884 -2.2884 -1.5566 -1.5566 -0.1566 -0.1566 -0.1517 -0.1517 -0.0489 -0.0489 5.4323 5.4323 8.4997 8.4997 10.4440 10.4440 10.5962 10.5962 15.1791 15.1791 15.2397 15.2397 15.8086 15.8086 k = 0.0000 0.1125-0.0000 ( 2261 PWs) bands (ev): -13.9733 -13.9733 -13.9723 -13.9723 -10.9996 -10.9996 -10.9970 -10.9970 -10.9777 -10.9777 -2.2911 -2.2911 -2.2880 -2.2880 -1.5368 -1.5368 -0.1568 -0.1568 -0.1505 -0.1505 -0.0504 -0.0504 5.3675 5.3675 8.5263 8.5263 10.4414 10.4414 10.6273 10.6273 15.1048 15.1048 15.2562 15.2562 15.9392 15.9392 k = 0.0000 0.1250-0.0000 ( 2237 PWs) bands (ev): -13.9733 -13.9733 -13.9721 -13.9721 -10.9996 -10.9996 -10.9964 -10.9964 -10.9779 -10.9779 -2.2913 -2.2913 -2.2876 -2.2876 -1.5148 -1.5148 -0.1570 -0.1570 -0.1493 -0.1493 -0.0520 -0.0520 5.2968 5.2968 8.5557 8.5557 10.4409 10.4409 10.6619 10.6619 15.0201 15.0201 15.2745 15.2745 16.0832 16.0832 k = 0.0000 0.1375-0.0000 ( 2245 PWs) bands (ev): -13.9733 -13.9733 -13.9719 -13.9719 -10.9996 -10.9996 -10.9958 -10.9958 -10.9781 -10.9781 -2.2916 -2.2916 -2.2872 -2.2872 -1.4906 -1.4906 -0.1572 -0.1572 -0.1480 -0.1480 -0.0537 -0.0537 5.2205 5.2205 8.5878 8.5878 10.4431 10.4431 10.6999 10.6999 14.9269 14.9269 15.2948 15.2948 16.2370 16.2370 k = 0.0000 0.1500-0.0000 ( 2248 PWs) bands (ev): -13.9734 -13.9734 -13.9717 -13.9717 -10.9996 -10.9996 -10.9951 -10.9951 -10.9783 -10.9783 -2.2919 -2.2919 -2.2868 -2.2868 -1.4643 -1.4643 -0.1575 -0.1575 -0.1465 -0.1465 -0.0555 -0.0555 5.1392 5.1392 8.6225 8.6225 10.4484 10.4484 10.7414 10.7414 14.8263 14.8263 15.3170 15.3170 16.3954 16.3954 k = 0.0000 0.1625-0.0000 ( 2244 PWs) bands (ev): -13.9734 -13.9734 -13.9714 -13.9714 -10.9996 -10.9996 -10.9944 -10.9944 -10.9786 -10.9786 -2.2922 -2.2922 -2.2863 -2.2863 -1.4360 -1.4360 -0.1578 -0.1578 -0.1450 -0.1450 -0.0574 -0.0574 5.0535 5.0535 8.6597 8.6597 10.4571 10.4571 10.7863 10.7863 14.7193 14.7193 15.3411 15.3411 16.5469 16.5469 k = 0.0000 0.1750-0.0000 ( 2252 PWs) bands (ev): -13.9734 -13.9734 -13.9712 -13.9712 -10.9996 -10.9996 -10.9936 -10.9936 -10.9788 -10.9788 -2.2925 -2.2925 -2.2859 -2.2859 -1.4057 -1.4057 -0.1581 -0.1581 -0.1434 -0.1434 -0.0594 -0.0594 4.9639 4.9639 8.6993 8.6993 10.4693 10.4693 10.8344 10.8344 14.6066 14.6066 15.3670 15.3670 16.6568 16.6568 k = 0.0000 0.1875-0.0000 ( 2252 PWs) bands (ev): -13.9734 -13.9734 -13.9709 -13.9709 -10.9996 -10.9996 -10.9928 -10.9928 -10.9791 -10.9791 -2.2929 -2.2929 -2.2854 -2.2854 -1.3735 -1.3735 -0.1585 -0.1585 -0.1417 -0.1417 -0.0614 -0.0614 4.8709 4.8709 8.7413 8.7413 10.4854 10.4854 10.8858 10.8858 14.4890 14.4890 15.3948 15.3948 16.6564 16.6564 k = 0.0000 0.2000-0.0000 ( 2260 PWs) bands (ev): -13.9734 -13.9734 -13.9706 -13.9706 -10.9996 -10.9996 -10.9920 -10.9920 -10.9793 -10.9793 -2.2932 -2.2932 -2.2850 -2.2850 -1.3395 -1.3395 -0.1589 -0.1589 -0.1400 -0.1400 -0.0635 -0.0635 4.7750 4.7750 8.7855 8.7855 10.5055 10.5055 10.9404 10.9404 14.3674 14.3674 15.4245 15.4245 16.5525 16.5525 k = 0.0000 0.2125-0.0000 ( 2260 PWs) bands (ev): -13.9735 -13.9735 -13.9704 -13.9704 -10.9997 -10.9997 -10.9911 -10.9911 -10.9796 -10.9796 -2.2936 -2.2936 -2.2845 -2.2845 -1.3038 -1.3038 -0.1593 -0.1593 -0.1382 -0.1382 -0.0655 -0.0655 4.6769 4.6769 8.8320 8.8320 10.5295 10.5295 10.9980 10.9980 14.2423 14.2423 15.4559 15.4559 16.4079 16.4079 k = 0.0000 0.2250-0.0000 ( 2260 PWs) bands (ev): -13.9735 -13.9735 -13.9701 -13.9701 -10.9997 -10.9997 -10.9903 -10.9903 -10.9798 -10.9798 -2.2940 -2.2940 -2.2841 -2.2841 -1.2666 -1.2666 -0.1598 -0.1598 -0.1364 -0.1364 -0.0676 -0.0676 4.5769 4.5769 8.8805 8.8805 10.5575 10.5575 11.0586 11.0586 14.1145 14.1145 15.4892 15.4892 16.2501 16.2501 k = 0.0000 0.2375-0.0000 ( 2268 PWs) bands (ev): -13.9735 -13.9735 -13.9698 -13.9698 -10.9997 -10.9997 -10.9894 -10.9894 -10.9801 -10.9801 -2.2944 -2.2944 -2.2836 -2.2836 -1.2279 -1.2279 -0.1604 -0.1604 -0.1346 -0.1346 -0.0696 -0.0696 4.4758 4.4758 8.9312 8.9312 10.5895 10.5895 11.1220 11.1220 13.9847 13.9847 15.5242 15.5242 16.0879 16.0879 k = 0.0000 0.2500-0.0000 ( 2268 PWs) bands (ev): -13.9736 -13.9736 -13.9695 -13.9695 -10.9997 -10.9997 -10.9885 -10.9885 -10.9804 -10.9804 -2.2947 -2.2947 -2.2832 -2.2832 -1.1878 -1.1878 -0.1610 -0.1610 -0.1328 -0.1328 -0.0717 -0.0717 4.3740 4.3740 8.9838 8.9838 10.6253 10.6253 11.1882 11.1882 13.8535 13.8535 15.5609 15.5609 15.9247 15.9247 k = 0.0000 0.2625-0.0000 ( 2268 PWs) bands (ev): -13.9736 -13.9736 -13.9692 -13.9692 -10.9997 -10.9997 -10.9876 -10.9876 -10.9806 -10.9806 -2.2951 -2.2951 -2.2828 -2.2828 -1.1466 -1.1466 -0.1616 -0.1616 -0.1310 -0.1310 -0.0736 -0.0736 4.2720 4.2720 9.0382 9.0382 10.6649 10.6649 11.2570 11.2570 13.7214 13.7214 15.5992 15.5992 15.7622 15.7622 k = 0.0000 0.2750-0.0000 ( 2268 PWs) bands (ev): -13.9736 -13.9736 -13.9689 -13.9689 -10.9998 -10.9998 -10.9868 -10.9868 -10.9809 -10.9809 -2.2955 -2.2955 -2.2824 -2.2824 -1.1045 -1.1045 -0.1623 -0.1623 -0.1293 -0.1293 -0.0755 -0.0755 4.1704 4.1704 9.0945 9.0945 10.7080 10.7080 11.3282 11.3282 13.5892 13.5892 15.6013 15.6013 15.6391 15.6391 k = 0.0000 0.2875-0.0000 ( 2268 PWs) bands (ev): -13.9736 -13.9736 -13.9686 -13.9686 -10.9998 -10.9998 -10.9859 -10.9859 -10.9811 -10.9811 -2.2959 -2.2959 -2.2820 -2.2820 -1.0615 -1.0615 -0.1629 -0.1629 -0.1276 -0.1276 -0.0774 -0.0774 4.0697 4.0697 9.1525 9.1525 10.7545 10.7545 11.4016 11.4016 13.4575 13.4575 15.4425 15.4425 15.6805 15.6805 k = 0.0000 0.3000-0.0000 ( 2252 PWs) bands (ev): -13.9736 -13.9736 -13.9684 -13.9684 -10.9999 -10.9999 -10.9851 -10.9851 -10.9813 -10.9813 -2.2962 -2.2962 -2.2816 -2.2816 -1.0180 -1.0180 -0.1637 -0.1637 -0.1259 -0.1259 -0.0791 -0.0791 3.9704 3.9704 9.2120 9.2120 10.8039 10.8039 11.4771 11.4771 13.3268 13.3268 15.2864 15.2864 15.7232 15.7232 k = 0.0000 0.3125-0.0000 ( 2252 PWs) bands (ev): -13.9737 -13.9737 -13.9681 -13.9681 -10.9999 -10.9999 -10.9842 -10.9842 -10.9816 -10.9816 -2.2966 -2.2966 -2.2813 -2.2813 -0.9742 -0.9742 -0.1644 -0.1644 -0.1244 -0.1244 -0.0808 -0.0808 3.8730 3.8730 9.2728 9.2728 10.8561 10.8561 11.5543 11.5543 13.1978 13.1978 15.1334 15.1334 15.7669 15.7669 k = 0.0000 0.3250-0.0000 ( 2260 PWs) bands (ev): -13.9737 -13.9737 -13.9678 -13.9678 -10.9999 -10.9999 -10.9834 -10.9834 -10.9818 -10.9818 -2.2969 -2.2969 -2.2810 -2.2810 -0.9304 -0.9304 -0.1652 -0.1652 -0.1231 -0.1231 -0.0824 -0.0824 3.7781 3.7781 9.3349 9.3349 10.9105 10.9105 11.6330 11.6330 13.0712 13.0712 14.9839 14.9839 15.8106 15.8106 k = 0.0000 0.3375-0.0000 ( 2260 PWs) bands (ev): -13.9737 -13.9737 -13.9676 -13.9676 -11.0000 -11.0000 -10.9827 -10.9827 -10.9820 -10.9820 -2.2973 -2.2973 -2.2807 -2.2807 -0.8868 -0.8868 -0.1659 -0.1659 -0.1218 -0.1218 -0.0838 -0.0838 3.6861 3.6861 9.3980 9.3980 10.9667 10.9667 11.7128 11.7128 12.9476 12.9476 14.8383 14.8383 15.8124 15.8124 k = 0.0000 0.3500-0.0000 ( 2252 PWs) bands (ev): -13.9737 -13.9737 -13.9673 -13.9673 -11.0000 -11.0000 -10.9821 -10.9821 -10.9819 -10.9819 -2.2976 -2.2976 -2.2804 -2.2804 -0.8438 -0.8438 -0.1667 -0.1667 -0.1207 -0.1207 -0.0852 -0.0852 3.5978 3.5978 9.4617 9.4617 11.0241 11.0241 11.7933 11.7933 12.8278 12.8278 14.6971 14.6971 15.6815 15.6815 k = 0.0000 0.3625-0.0000 ( 2260 PWs) bands (ev): -13.9738 -13.9738 -13.9671 -13.9671 -11.0001 -11.0001 -10.9823 -10.9823 -10.9812 -10.9812 -2.2979 -2.2979 -2.2802 -2.2802 -0.8018 -0.8018 -0.1675 -0.1675 -0.1199 -0.1199 -0.0864 -0.0864 3.5135 3.5135 9.5257 9.5257 11.0819 11.0819 11.8741 11.8741 12.7127 12.7127 14.5608 14.5608 15.5480 15.5480 k = 0.0000 0.3750-0.0000 ( 2264 PWs) bands (ev): -13.9738 -13.9738 -13.9669 -13.9669 -11.0001 -11.0001 -10.9825 -10.9825 -10.9806 -10.9806 -2.2982 -2.2982 -2.2800 -2.2800 -0.7611 -0.7611 -0.1682 -0.1682 -0.1192 -0.1192 -0.0875 -0.0875 3.4339 3.4339 9.5895 9.5895 11.1391 11.1391 11.9544 11.9544 12.6034 12.6034 14.4299 14.4299 15.4187 15.4187 k = 0.0000 0.3875-0.0000 ( 2264 PWs) bands (ev): -13.9738 -13.9738 -13.9667 -13.9667 -11.0002 -11.0002 -10.9826 -10.9826 -10.9800 -10.9800 -2.2984 -2.2984 -2.2798 -2.2798 -0.7222 -0.7222 -0.1689 -0.1689 -0.1187 -0.1187 -0.0885 -0.0885 3.3595 3.3595 9.6527 9.6527 11.1948 11.1948 12.0335 12.0335 12.5009 12.5009 14.3053 14.3053 15.2949 15.2949 k = 0.0000 0.4000-0.0000 ( 2272 PWs) bands (ev): -13.9738 -13.9738 -13.9665 -13.9665 -11.0002 -11.0002 -10.9828 -10.9828 -10.9794 -10.9794 -2.2987 -2.2987 -2.2796 -2.2796 -0.6855 -0.6855 -0.1696 -0.1696 -0.1184 -0.1184 -0.0894 -0.0894 3.2909 3.2909 9.7144 9.7144 11.2474 11.2474 12.1106 12.1106 12.4068 12.4068 14.1877 14.1877 15.1776 15.1776 k = 0.0000 0.4125-0.0000 ( 2264 PWs) bands (ev): -13.9738 -13.9738 -13.9664 -13.9664 -11.0003 -11.0003 -10.9829 -10.9829 -10.9789 -10.9789 -2.2989 -2.2989 -2.2794 -2.2794 -0.6515 -0.6515 -0.1702 -0.1702 -0.1184 -0.1184 -0.0902 -0.0902 3.2287 3.2287 9.7739 9.7739 11.2953 11.2953 12.1845 12.1845 12.3225 12.3225 14.0783 14.0783 15.0680 15.0680 k = 0.0000 0.4250-0.0000 ( 2252 PWs) bands (ev): -13.9738 -13.9738 -13.9662 -13.9662 -11.0003 -11.0003 -10.9830 -10.9830 -10.9785 -10.9785 -2.2991 -2.2991 -2.2793 -2.2793 -0.6206 -0.6206 -0.1708 -0.1708 -0.1185 -0.1185 -0.0909 -0.0909 3.1734 3.1734 9.8300 9.8300 11.3369 11.3369 12.2499 12.2499 12.2540 12.2540 13.9782 13.9782 14.9675 14.9675 k = 0.0000 0.4375-0.0000 ( 2256 PWs) bands (ev): -13.9739 -13.9739 -13.9661 -13.9661 -11.0004 -11.0004 -10.9830 -10.9830 -10.9781 -10.9781 -2.2992 -2.2992 -2.2792 -2.2792 -0.5934 -0.5934 -0.1713 -0.1713 -0.1188 -0.1188 -0.0915 -0.0915 3.1255 3.1255 9.8815 9.8815 11.3705 11.3705 12.1904 12.1904 12.3175 12.3175 13.8889 13.8889 14.8777 14.8777 k = 0.0000 0.4500-0.0000 ( 2256 PWs) bands (ev): -13.9739 -13.9739 -13.9660 -13.9660 -11.0004 -11.0004 -10.9831 -10.9831 -10.9778 -10.9778 -2.2994 -2.2994 -2.2791 -2.2791 -0.5703 -0.5703 -0.1717 -0.1717 -0.1192 -0.1192 -0.0919 -0.0919 3.0856 3.0856 9.9270 9.9270 11.3951 11.3951 12.1448 12.1448 12.3733 12.3733 13.8122 13.8122 14.8004 14.8004 k = 0.0000 0.4625-0.0000 ( 2256 PWs) bands (ev): -13.9739 -13.9739 -13.9660 -13.9660 -11.0004 -11.0004 -10.9832 -10.9832 -10.9776 -10.9776 -2.2995 -2.2995 -2.2790 -2.2790 -0.5518 -0.5518 -0.1720 -0.1720 -0.1196 -0.1196 -0.0923 -0.0923 3.0541 3.0541 9.9647 9.9647 11.4109 11.4109 12.1130 12.1130 12.4195 12.4195 13.7498 13.7498 14.7374 14.7374 k = 0.0000 0.4750-0.0000 ( 2256 PWs) bands (ev): -13.9739 -13.9739 -13.9659 -13.9659 -11.0004 -11.0004 -10.9832 -10.9832 -10.9774 -10.9774 -2.2996 -2.2996 -2.2790 -2.2790 -0.5383 -0.5383 -0.1722 -0.1722 -0.1200 -0.1200 -0.0926 -0.0926 3.0313 3.0313 9.9932 9.9932 11.4195 11.4195 12.0931 12.0931 12.4541 12.4541 13.7035 13.7035 14.6907 14.6907 k = 0.0000 0.4875-0.0000 ( 2256 PWs) bands (ev): -13.9739 -13.9739 -13.9659 -13.9659 -11.0005 -11.0005 -10.9832 -10.9832 -10.9773 -10.9773 -2.2996 -2.2996 -2.2789 -2.2789 -0.5300 -0.5300 -0.1724 -0.1724 -0.1202 -0.1202 -0.0927 -0.0927 3.0175 3.0175 10.0110 10.0110 11.4232 11.4232 12.0827 12.0827 12.4757 12.4757 13.6750 13.6750 14.6619 14.6619 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -13.9739 -13.9739 -13.9658 -13.9658 -11.0005 -11.0005 -10.9832 -10.9832 -10.9773 -10.9773 -2.2996 -2.2996 -2.2789 -2.2789 -0.5273 -0.5273 -0.1724 -0.1724 -0.1203 -0.1203 -0.0928 -0.0928 3.0129 3.0129 10.0170 10.0170 11.4241 11.4241 12.0795 12.0795 12.4830 12.4830 13.6654 13.6654 14.6522 14.6522 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -13.9739 -13.9739 -13.9658 -13.9658 -11.0005 -11.0005 -10.9832 -10.9832 -10.9773 -10.9773 -2.2996 -2.2996 -2.2789 -2.2789 -0.5273 -0.5273 -0.1724 -0.1724 -0.1203 -0.1203 -0.0928 -0.0928 3.0129 3.0129 10.0170 10.0170 11.4241 11.4241 12.0795 12.0795 12.4830 12.4830 13.6654 13.6654 14.6522 14.6522 k = 0.0125 0.5000-0.0000 ( 2252 PWs) bands (ev): -13.9739 -13.9739 -13.9659 -13.9659 -11.0004 -11.0004 -10.9833 -10.9833 -10.9773 -10.9773 -2.2996 -2.2996 -2.2790 -2.2790 -0.5276 -0.5276 -0.1717 -0.1717 -0.1197 -0.1197 -0.0923 -0.0923 3.0144 3.0144 10.0091 10.0091 11.4020 11.4020 12.0836 12.0836 12.4934 12.4934 13.6705 13.6705 14.6545 14.6545 k = 0.0250 0.5000-0.0000 ( 2252 PWs) bands (ev): -13.9739 -13.9739 -13.9659 -13.9659 -11.0004 -11.0004 -10.9833 -10.9833 -10.9772 -10.9772 -2.2996 -2.2996 -2.2793 -2.2793 -0.5288 -0.5288 -0.1697 -0.1697 -0.1179 -0.1179 -0.0910 -0.0910 3.0188 3.0188 9.9856 9.9856 11.3414 11.3414 12.0896 12.0896 12.5260 12.5260 13.6856 13.6856 14.6613 14.6613 k = 0.0375 0.5000-0.0000 ( 2252 PWs) bands (ev): -13.9738 -13.9738 -13.9658 -13.9658 -11.0003 -11.0003 -10.9834 -10.9834 -10.9772 -10.9772 -2.2996 -2.2996 -2.2797 -2.2797 -0.5305 -0.5305 -0.1669 -0.1669 -0.1151 -0.1151 -0.0883 -0.0883 3.0261 3.0261 9.9464 9.9464 11.2539 11.2539 12.0867 12.0867 12.5812 12.5812 13.7095 13.7095 14.6725 14.6725 k = 0.0500 0.5000-0.0000 ( 2252 PWs) bands (ev): -13.9738 -13.9738 -13.9658 -13.9658 -11.0001 -11.0001 -10.9835 -10.9835 -10.9772 -10.9772 -2.2996 -2.2996 -2.2803 -2.2803 -0.5329 -0.5329 -0.1636 -0.1636 -0.1115 -0.1115 -0.0835 -0.0835 3.0364 3.0364 9.8919 9.8919 11.1493 11.1493 12.0708 12.0708 12.6553 12.6553 13.7407 13.7407 14.6877 14.6877 k = 0.0625 0.5000-0.0000 ( 2248 PWs) bands (ev): -13.9737 -13.9737 -13.9658 -13.9658 -10.9999 -10.9999 -10.9836 -10.9836 -10.9771 -10.9771 -2.2996 -2.2996 -2.2810 -2.2810 -0.5357 -0.5357 -0.1603 -0.1603 -0.1080 -0.1080 -0.0757 -0.0757 3.0496 3.0496 9.8227 9.8227 11.0340 11.0340 12.0444 12.0444 12.7417 12.7417 13.7778 13.7778 14.7067 14.7067 k = 0.0750 0.5000-0.0000 ( 2248 PWs) bands (ev): -13.9736 -13.9736 -13.9658 -13.9658 -10.9997 -10.9997 -10.9838 -10.9838 -10.9770 -10.9770 -2.2996 -2.2996 -2.2819 -2.2819 -0.5388 -0.5388 -0.1574 -0.1574 -0.1049 -0.1049 -0.0642 -0.0642 3.0658 3.0658 9.7395 9.7395 10.9114 10.9114 12.0116 12.0116 12.8346 12.8346 13.8194 13.8194 14.7290 14.7290 k = 0.0875 0.5000-0.0000 ( 2252 PWs) bands (ev): -13.9735 -13.9735 -13.9658 -13.9658 -10.9995 -10.9995 -10.9840 -10.9840 -10.9769 -10.9769 -2.2997 -2.2997 -2.2828 -2.2828 -0.5420 -0.5420 -0.1549 -0.1549 -0.1024 -0.1024 -0.0490 -0.0490 3.0849 3.0849 9.6436 9.6436 10.7833 10.7833 11.9764 11.9764 12.9297 12.9297 13.8645 13.8645 14.7542 14.7542 k = 0.1000 0.5000-0.0000 ( 2252 PWs) bands (ev): -13.9735 -13.9735 -13.9658 -13.9658 -10.9992 -10.9992 -10.9843 -10.9843 -10.9767 -10.9767 -2.2999 -2.2999 -2.2838 -2.2838 -0.5454 -0.5454 -0.1529 -0.1529 -0.1002 -0.1002 -0.0305 -0.0305 3.1070 3.1070 9.5364 9.5364 10.6505 10.6505 11.9417 11.9417 13.0243 13.0243 13.9121 13.9121 14.7820 14.7820 k = 0.1125 0.5000-0.0000 ( 2258 PWs) bands (ev): -13.9734 -13.9734 -13.9658 -13.9658 -10.9989 -10.9989 -10.9846 -10.9846 -10.9766 -10.9766 -2.3002 -2.3002 -2.2849 -2.2849 -0.5487 -0.5487 -0.1511 -0.1511 -0.0983 -0.0983 -0.0092 -0.0092 3.1320 3.1320 9.4196 9.4196 10.5134 10.5134 11.9094 11.9094 13.1169 13.1169 13.9619 13.9619 14.8121 14.8121 k = 0.1250 0.5000-0.0000 ( 2252 PWs) bands (ev): -13.9732 -13.9732 -13.9658 -13.9658 -10.9985 -10.9985 -10.9849 -10.9849 -10.9764 -10.9764 -2.3006 -2.3006 -2.2858 -2.2858 -0.5520 -0.5520 -0.1496 -0.1496 -0.0964 -0.0964 0.0145 0.0145 3.1600 3.1600 9.2947 9.2947 10.3724 10.3724 11.8805 11.8805 13.2066 13.2066 14.0134 14.0134 14.8442 14.8442 k = 0.1375 0.5000-0.0000 ( 2264 PWs) bands (ev): -13.9731 -13.9731 -13.9658 -13.9658 -10.9982 -10.9982 -10.9852 -10.9852 -10.9762 -10.9762 -2.3012 -2.3012 -2.2867 -2.2867 -0.5550 -0.5550 -0.1483 -0.1483 -0.0945 -0.0945 0.0405 0.0405 3.1910 3.1910 9.1635 9.1635 10.2276 10.2276 11.8558 11.8558 13.2929 13.2929 14.0663 14.0663 14.8781 14.8781 k = 0.1500 0.5000-0.0000 ( 2260 PWs) bands (ev): -13.9730 -13.9730 -13.9657 -13.9657 -10.9978 -10.9978 -10.9856 -10.9856 -10.9759 -10.9759 -2.3021 -2.3021 -2.2875 -2.2875 -0.5579 -0.5579 -0.1471 -0.1471 -0.0926 -0.0926 0.0683 0.0683 3.2249 3.2249 9.0274 9.0274 10.0793 10.0793 11.8354 11.8354 13.3757 13.3757 14.1206 14.1206 14.9137 14.9137 k = 0.1625 0.5000-0.0000 ( 2254 PWs) bands (ev): -13.9729 -13.9729 -13.9657 -13.9657 -10.9974 -10.9974 -10.9859 -10.9859 -10.9757 -10.9757 -2.3033 -2.3033 -2.2880 -2.2880 -0.5605 -0.5605 -0.1460 -0.1460 -0.0906 -0.0906 0.0979 0.0979 3.2618 3.2618 8.8877 8.8877 9.9280 9.9280 11.8191 11.8191 13.4552 13.4552 14.1762 14.1762 14.9509 14.9509 k = 0.1750 0.5000-0.0000 ( 2254 PWs) bands (ev): -13.9728 -13.9728 -13.9657 -13.9657 -10.9970 -10.9970 -10.9863 -10.9863 -10.9754 -10.9754 -2.3047 -2.3047 -2.2884 -2.2884 -0.5629 -0.5629 -0.1449 -0.1449 -0.0886 -0.0886 0.1291 0.1291 3.3016 3.3016 8.7458 8.7458 9.7742 9.7742 11.8068 11.8068 13.5316 13.5316 14.2330 14.2330 14.9896 14.9896 k = 0.1875 0.5000-0.0000 ( 2254 PWs) bands (ev): -13.9727 -13.9727 -13.9656 -13.9656 -10.9966 -10.9966 -10.9868 -10.9868 -10.9750 -10.9750 -2.3063 -2.3063 -2.2886 -2.2886 -0.5649 -0.5649 -0.1439 -0.1439 -0.0865 -0.0865 0.1616 0.1616 3.3444 3.3444 8.6026 8.6026 9.6182 9.6182 11.7980 11.7980 13.6051 13.6051 14.2909 14.2909 15.0297 15.0297 k = 0.2000 0.5000-0.0000 ( 2250 PWs) bands (ev): -13.9725 -13.9725 -13.9656 -13.9656 -10.9963 -10.9963 -10.9872 -10.9872 -10.9747 -10.9747 -2.3081 -2.3081 -2.2887 -2.2887 -0.5668 -0.5668 -0.1429 -0.1429 -0.0843 -0.0843 0.1953 0.1953 3.3901 3.3901 8.4590 8.4590 9.4607 9.4607 11.7925 11.7925 13.6762 13.6762 14.3500 14.3500 15.0712 15.0712 k = 0.2125 0.5000-0.0000 ( 2254 PWs) bands (ev): -13.9724 -13.9724 -13.9655 -13.9655 -10.9959 -10.9959 -10.9876 -10.9876 -10.9743 -10.9743 -2.3101 -2.3101 -2.2886 -2.2886 -0.5683 -0.5683 -0.1419 -0.1419 -0.0821 -0.0821 0.2302 0.2302 3.4387 3.4387 8.3159 8.3159 9.3022 9.3022 11.7898 11.7898 13.7451 13.7451 14.4101 14.4101 15.1142 15.1142 k = 0.2250 0.5000-0.0000 ( 2256 PWs) bands (ev): -13.9723 -13.9723 -13.9655 -13.9655 -10.9956 -10.9956 -10.9881 -10.9881 -10.9739 -10.9739 -2.3122 -2.3122 -2.2885 -2.2885 -0.5696 -0.5696 -0.1410 -0.1410 -0.0798 -0.0798 0.2659 0.2659 3.4902 3.4902 8.1739 8.1739 9.1431 9.1431 11.7896 11.7896 13.8121 13.8121 14.4714 14.4714 15.1586 15.1586 k = 0.2375 0.5000-0.0000 ( 2252 PWs) bands (ev): -13.9722 -13.9722 -13.9654 -13.9654 -10.9952 -10.9952 -10.9885 -10.9885 -10.9735 -10.9735 -2.3144 -2.3144 -2.2882 -2.2882 -0.5707 -0.5707 -0.1400 -0.1400 -0.0774 -0.0774 0.3023 0.3023 3.5445 3.5445 8.0335 8.0335 8.9839 8.9839 11.7915 11.7915 13.8774 13.8774 14.5336 14.5336 15.2043 15.2043 k = 0.2500 0.5000-0.0000 ( 2244 PWs) bands (ev): -13.9721 -13.9721 -13.9653 -13.9653 -10.9949 -10.9949 -10.9889 -10.9889 -10.9730 -10.9730 -2.3166 -2.3166 -2.2880 -2.2880 -0.5716 -0.5716 -0.1391 -0.1391 -0.0751 -0.0751 0.3394 0.3394 3.6017 3.6017 7.8955 7.8955 8.8251 8.8251 11.7952 11.7952 13.9413 13.9413 14.5969 14.5969 15.2514 15.2514 k = 0.2625 0.5000-0.0000 ( 2250 PWs) bands (ev): -13.9720 -13.9720 -13.9652 -13.9652 -10.9947 -10.9947 -10.9893 -10.9893 -10.9725 -10.9725 -2.3189 -2.3189 -2.2876 -2.2876 -0.5722 -0.5722 -0.1381 -0.1381 -0.0727 -0.0727 0.3769 0.3769 3.6617 3.6617 7.7601 7.7601 8.6672 8.6672 11.8004 11.8004 14.0039 14.0039 14.6611 14.6611 15.2997 15.2997 k = 0.2750 0.5000-0.0000 ( 2250 PWs) bands (ev): -13.9719 -13.9719 -13.9651 -13.9651 -10.9945 -10.9945 -10.9897 -10.9897 -10.9720 -10.9720 -2.3211 -2.3211 -2.2873 -2.2873 -0.5727 -0.5727 -0.1372 -0.1372 -0.0703 -0.0703 0.4145 0.4145 3.7243 3.7243 7.6279 7.6279 8.5104 8.5104 11.8068 11.8068 14.0652 14.0652 14.7263 14.7263 15.3494 15.3494 k = 0.2875 0.5000-0.0000 ( 2246 PWs) bands (ev): -13.9718 -13.9718 -13.9650 -13.9650 -10.9943 -10.9943 -10.9900 -10.9900 -10.9715 -10.9715 -2.3233 -2.3233 -2.2870 -2.2870 -0.5731 -0.5731 -0.1363 -0.1363 -0.0679 -0.0679 0.4522 0.4522 3.7896 3.7896 7.4993 7.4993 8.3554 8.3554 11.8143 11.8143 14.1252 14.1252 14.7923 14.7923 15.4002 15.4002 k = 0.3000 0.5000-0.0000 ( 2250 PWs) bands (ev): -13.9717 -13.9717 -13.9649 -13.9649 -10.9943 -10.9943 -10.9902 -10.9902 -10.9710 -10.9710 -2.3255 -2.3255 -2.2866 -2.2866 -0.5733 -0.5733 -0.1355 -0.1355 -0.0656 -0.0656 0.4898 0.4898 3.8573 3.8573 7.3745 7.3745 8.2024 8.2024 11.8226 11.8226 14.1839 14.1839 14.8591 14.8591 15.4521 15.4521 k = 0.3125 0.5000-0.0000 ( 2250 PWs) bands (ev): -13.9717 -13.9717 -13.9648 -13.9648 -10.9943 -10.9943 -10.9904 -10.9904 -10.9705 -10.9705 -2.3276 -2.3276 -2.2862 -2.2862 -0.5733 -0.5733 -0.1346 -0.1346 -0.0632 -0.0632 0.5269 0.5269 3.9275 3.9275 7.2540 7.2540 8.0520 8.0520 11.8314 11.8314 14.2412 14.2412 14.9265 14.9265 15.5049 15.5049 k = 0.3250 0.5000-0.0000 ( 2246 PWs) bands (ev): -13.9716 -13.9716 -13.9647 -13.9647 -10.9944 -10.9944 -10.9905 -10.9905 -10.9700 -10.9700 -2.3297 -2.3297 -2.2859 -2.2859 -0.5733 -0.5733 -0.1338 -0.1338 -0.0610 -0.0610 0.5634 0.5634 3.9999 3.9999 7.1379 7.1379 7.9047 7.9047 11.8406 11.8406 14.2969 14.2969 14.9944 14.9944 15.5585 15.5585 k = 0.3375 0.5000-0.0000 ( 2246 PWs) bands (ev): -13.9716 -13.9716 -13.9646 -13.9646 -10.9945 -10.9945 -10.9906 -10.9906 -10.9696 -10.9696 -2.3317 -2.3317 -2.2855 -2.2855 -0.5733 -0.5733 -0.1330 -0.1330 -0.0588 -0.0588 0.5990 0.5990 4.0743 4.0743 7.0266 7.0266 7.7609 7.7609 11.8499 11.8499 14.3508 14.3508 15.0627 15.0627 15.6128 15.6128 k = 0.3500 0.5000-0.0000 ( 2248 PWs) bands (ev): -13.9715 -13.9715 -13.9645 -13.9645 -10.9947 -10.9947 -10.9906 -10.9906 -10.9691 -10.9691 -2.3335 -2.3335 -2.2852 -2.2852 -0.5731 -0.5731 -0.1322 -0.1322 -0.0567 -0.0567 0.6335 0.6335 4.1505 4.1505 6.9201 6.9201 7.6214 7.6214 11.8593 11.8593 14.4027 14.4027 15.1309 15.1309 15.6674 15.6674 k = 0.3625 0.5000-0.0000 ( 2248 PWs) bands (ev): -13.9715 -13.9715 -13.9644 -13.9644 -10.9949 -10.9949 -10.9905 -10.9905 -10.9686 -10.9686 -2.3353 -2.3353 -2.2849 -2.2849 -0.5729 -0.5729 -0.1315 -0.1315 -0.0547 -0.0547 0.6667 0.6667 4.2281 4.2281 6.8187 6.8187 7.4867 7.4867 11.8686 11.8686 14.4523 14.4523 15.1989 15.1989 15.7223 15.7223 k = 0.3750 0.5000-0.0000 ( 2252 PWs) bands (ev): -13.9715 -13.9715 -13.9643 -13.9643 -10.9952 -10.9952 -10.9905 -10.9905 -10.9682 -10.9682 -2.3369 -2.3369 -2.2846 -2.2846 -0.5727 -0.5727 -0.1308 -0.1308 -0.0529 -0.0529 0.6981 0.6981 4.3067 4.3067 6.7223 6.7223 7.3579 7.3579 11.8775 11.8775 14.4992 14.4992 15.2660 15.2660 15.7770 15.7770 k = 0.3875 0.5000-0.0000 ( 2248 PWs) bands (ev): -13.9715 -13.9715 -13.9642 -13.9642 -10.9955 -10.9955 -10.9904 -10.9904 -10.9678 -10.9678 -2.3385 -2.3385 -2.2843 -2.2843 -0.5725 -0.5725 -0.1301 -0.1301 -0.0511 -0.0511 0.7276 0.7276 4.3858 4.3858 6.6311 6.6311 7.2358 7.2358 11.8861 11.8861 14.5432 14.5432 15.3317 15.3317 15.8313 15.8313 k = 0.4000 0.5000-0.0000 ( 2248 PWs) bands (ev): -13.9714 -13.9714 -13.9641 -13.9641 -10.9957 -10.9957 -10.9903 -10.9903 -10.9674 -10.9674 -2.3398 -2.3398 -2.2840 -2.2840 -0.5723 -0.5723 -0.1296 -0.1296 -0.0495 -0.0495 0.7550 0.7550 4.4646 4.4646 6.5450 6.5450 7.1217 7.1217 11.8941 11.8941 14.5838 14.5838 15.3953 15.3953 15.8848 15.8848 k = 0.4125 0.5000-0.0000 ( 2240 PWs) bands (ev): -13.9714 -13.9714 -13.9640 -13.9640 -10.9959 -10.9959 -10.9902 -10.9902 -10.9671 -10.9671 -2.3411 -2.3411 -2.2838 -2.2838 -0.5721 -0.5721 -0.1290 -0.1290 -0.0481 -0.0481 0.7799 0.7799 4.5422 4.5422 6.4640 6.4640 7.0168 7.0168 11.9014 11.9014 14.6208 14.6208 15.4559 15.4559 15.9371 15.9371 k = 0.4250 0.5000-0.0000 ( 2240 PWs) bands (ev): -13.9714 -13.9714 -13.9640 -13.9640 -10.9961 -10.9961 -10.9902 -10.9902 -10.9667 -10.9667 -2.3421 -2.3421 -2.2836 -2.2836 -0.5718 -0.5718 -0.1286 -0.1286 -0.0468 -0.0468 0.8020 0.8020 4.6173 4.6173 6.3883 6.3883 6.9227 6.9227 11.9080 11.9080 14.6537 14.6537 15.5122 15.5122 15.9876 15.9876 k = 0.4375 0.5000-0.0000 ( 2240 PWs) bands (ev): -13.9714 -13.9714 -13.9639 -13.9639 -10.9963 -10.9963 -10.9901 -10.9901 -10.9665 -10.9665 -2.3431 -2.3431 -2.2834 -2.2834 -0.5717 -0.5717 -0.1282 -0.1282 -0.0457 -0.0457 0.8212 0.8212 4.6883 4.6883 6.3184 6.3184 6.8408 6.8408 11.9137 11.9137 14.6822 14.6822 15.5631 15.5631 16.0353 16.0353 k = 0.4500 0.5000-0.0000 ( 2236 PWs) bands (ev): -13.9714 -13.9714 -13.9638 -13.9638 -10.9965 -10.9965 -10.9901 -10.9901 -10.9663 -10.9663 -2.3438 -2.3438 -2.2833 -2.2833 -0.5715 -0.5715 -0.1278 -0.1278 -0.0448 -0.0448 0.8373 0.8373 4.7529 4.7529 6.2557 6.2557 6.7724 6.7724 11.9185 11.9185 14.7060 14.7060 15.6073 15.6073 16.0791 16.0791 k = 0.4625 0.5000-0.0000 ( 2240 PWs) bands (ev): -13.9714 -13.9714 -13.9638 -13.9638 -10.9966 -10.9966 -10.9900 -10.9900 -10.9661 -10.9661 -2.3444 -2.3444 -2.2832 -2.2832 -0.5714 -0.5714 -0.1276 -0.1276 -0.0441 -0.0441 0.8499 0.8499 4.8085 4.8085 6.2021 6.2021 6.7185 6.7185 11.9223 11.9223 14.7249 14.7249 15.6433 15.6433 16.1171 16.1171 k = 0.4750 0.5000-0.0000 ( 2232 PWs) bands (ev): -13.9714 -13.9714 -13.9638 -13.9638 -10.9967 -10.9967 -10.9900 -10.9900 -10.9660 -10.9660 -2.3448 -2.3448 -2.2831 -2.2831 -0.5713 -0.5713 -0.1274 -0.1274 -0.0436 -0.0436 0.8591 0.8591 4.8518 4.8518 6.1603 6.1603 6.6797 6.6797 11.9250 11.9250 14.7385 14.7385 15.6700 15.6700 16.1472 16.1472 k = 0.4875 0.5000-0.0000 ( 2216 PWs) bands (ev): -13.9714 -13.9714 -13.9637 -13.9637 -10.9967 -10.9967 -10.9900 -10.9900 -10.9659 -10.9659 -2.3451 -2.3451 -2.2831 -2.2831 -0.5712 -0.5712 -0.1273 -0.1273 -0.0433 -0.0433 0.8646 0.8646 4.8795 4.8795 6.1336 6.1336 6.6563 6.6563 11.9267 11.9267 14.7468 14.7468 15.6864 15.6864 16.1666 16.1666 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -13.9714 -13.9714 -13.9637 -13.9637 -10.9967 -10.9967 -10.9900 -10.9900 -10.9659 -10.9659 -2.3452 -2.3452 -2.2830 -2.2830 -0.5712 -0.5712 -0.1272 -0.1272 -0.0432 -0.0432 0.8665 0.8665 4.8890 4.8890 6.1243 6.1243 6.6485 6.6485 11.9272 11.9272 14.7495 14.7495 15.6919 15.6919 16.1734 16.1734 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -13.9714 -13.9714 -13.9637 -13.9637 -10.9967 -10.9967 -10.9900 -10.9900 -10.9659 -10.9659 -2.3452 -2.3452 -2.2830 -2.2830 -0.5712 -0.5712 -0.1272 -0.1272 -0.0432 -0.0432 0.8665 0.8665 4.8890 4.8890 6.1243 6.1243 6.6485 6.6485 11.9272 11.9272 14.7495 14.7495 15.6919 15.6919 16.1734 16.1734 k = 0.4911 0.4911-0.0000 ( 2216 PWs) bands (ev): -13.9714 -13.9714 -13.9637 -13.9637 -10.9967 -10.9967 -10.9900 -10.9900 -10.9659 -10.9659 -2.3451 -2.3451 -2.2831 -2.2831 -0.5712 -0.5712 -0.1273 -0.1273 -0.0433 -0.0433 0.8646 0.8646 4.8793 4.8793 6.1337 6.1337 6.6565 6.6565 11.9267 11.9267 14.7467 14.7467 15.6862 15.6862 16.1666 16.1666 k = 0.4821 0.4821-0.0000 ( 2228 PWs) bands (ev): -13.9714 -13.9714 -13.9638 -13.9638 -10.9967 -10.9967 -10.9900 -10.9900 -10.9660 -10.9660 -2.3448 -2.3448 -2.2831 -2.2831 -0.5713 -0.5713 -0.1274 -0.1274 -0.0436 -0.0436 0.8589 0.8589 4.8515 4.8515 6.1599 6.1599 6.6811 6.6811 11.9249 11.9249 14.7383 14.7383 15.6686 15.6686 16.1484 16.1484 k = 0.4732 0.4732-0.0000 ( 2240 PWs) bands (ev): -13.9714 -13.9714 -13.9638 -13.9638 -10.9966 -10.9966 -10.9900 -10.9900 -10.9661 -10.9661 -2.3444 -2.3444 -2.2832 -2.2832 -0.5714 -0.5714 -0.1276 -0.1276 -0.0442 -0.0442 0.8495 0.8495 4.8089 4.8089 6.1980 6.1980 6.7237 6.7237 11.9220 11.9220 14.7244 14.7244 15.6380 15.6380 16.1243 16.1243 k = 0.4643 0.4643-0.0000 ( 2240 PWs) bands (ev): -13.9714 -13.9714 -13.9638 -13.9638 -10.9965 -10.9965 -10.9901 -10.9901 -10.9663 -10.9663 -2.3438 -2.3438 -2.2833 -2.2833 -0.5716 -0.5716 -0.1278 -0.1278 -0.0449 -0.0449 0.8363 0.8363 4.7560 4.7560 6.2423 6.2423 6.7857 6.7857 11.9177 11.9177 14.7053 14.7053 15.5936 15.5936 16.1003 16.1003 k = 0.4554 0.4554-0.0000 ( 2238 PWs) bands (ev): -13.9714 -13.9714 -13.9639 -13.9639 -10.9963 -10.9963 -10.9901 -10.9901 -10.9665 -10.9665 -2.3430 -2.3430 -2.2834 -2.2834 -0.5719 -0.5719 -0.1282 -0.1282 -0.0458 -0.0458 0.8194 0.8194 4.6965 4.6965 6.2880 6.2880 6.8680 6.8680 11.9118 11.9118 14.6812 14.6812 15.5356 15.5356 16.0812 16.0812 k = 0.4464 0.4464-0.0000 ( 2230 PWs) bands (ev): -13.9714 -13.9714 -13.9640 -13.9640 -10.9961 -10.9961 -10.9902 -10.9902 -10.9668 -10.9668 -2.3421 -2.3421 -2.2836 -2.2836 -0.5723 -0.5723 -0.1286 -0.1286 -0.0469 -0.0469 0.7990 0.7990 4.6340 4.6340 6.3323 6.3323 6.9698 6.9698 11.9043 11.9043 14.6524 14.6524 15.4660 15.4660 16.0692 16.0692 k = 0.4375 0.4375-0.0000 ( 2230 PWs) bands (ev): -13.9714 -13.9714 -13.9640 -13.9640 -10.9959 -10.9959 -10.9903 -10.9903 -10.9671 -10.9671 -2.3410 -2.3410 -2.2838 -2.2838 -0.5729 -0.5729 -0.1291 -0.1291 -0.0482 -0.0482 0.7750 0.7750 4.5710 4.5710 6.3748 6.3748 7.0888 7.0888 11.8949 11.8949 14.6190 14.6190 15.3880 15.3880 16.0648 16.0648 k = 0.4286 0.4286-0.0000 ( 2246 PWs) bands (ev): -13.9714 -13.9714 -13.9641 -13.9641 -10.9956 -10.9956 -10.9904 -10.9904 -10.9675 -10.9675 -2.3398 -2.3398 -2.2840 -2.2840 -0.5738 -0.5738 -0.1296 -0.1296 -0.0496 -0.0496 0.7477 0.7477 4.5092 4.5092 6.4159 6.4159 7.2227 7.2227 11.8833 11.8833 14.5811 14.5811 15.3050 15.3050 16.0675 16.0675 k = 0.4196 0.4196-0.0000 ( 2244 PWs) bands (ev): -13.9714 -13.9714 -13.9642 -13.9642 -10.9953 -10.9953 -10.9905 -10.9905 -10.9679 -10.9679 -2.3385 -2.3385 -2.2843 -2.2843 -0.5749 -0.5749 -0.1302 -0.1302 -0.0512 -0.0512 0.7171 0.7171 4.4503 4.4503 6.4565 6.4565 7.3688 7.3688 11.8693 11.8693 14.5385 14.5385 15.2206 15.2206 16.0765 16.0765 k = 0.4107 0.4107-0.0000 ( 2244 PWs) bands (ev): -13.9714 -13.9714 -13.9644 -13.9644 -10.9950 -10.9950 -10.9906 -10.9906 -10.9684 -10.9684 -2.3370 -2.3370 -2.2846 -2.2846 -0.5765 -0.5765 -0.1309 -0.1309 -0.0529 -0.0529 0.6835 0.6835 4.3951 4.3951 6.4976 6.4976 7.5251 7.5251 11.8526 11.8526 14.4905 14.4905 15.1382 15.1382 16.0910 16.0910 k = 0.4018 0.4018-0.0000 ( 2244 PWs) bands (ev): -13.9715 -13.9715 -13.9645 -13.9645 -10.9947 -10.9947 -10.9907 -10.9907 -10.9689 -10.9689 -2.3354 -2.3354 -2.2848 -2.2848 -0.5785 -0.5785 -0.1316 -0.1316 -0.0548 -0.0548 0.6472 0.6472 4.3444 4.3444 6.5396 6.5396 7.6899 7.6899 11.8331 11.8331 14.4365 14.4365 15.0609 15.0609 16.1106 16.1106 k = 0.3929 0.3929-0.0000 ( 2258 PWs) bands (ev): -13.9715 -13.9715 -13.9646 -13.9646 -10.9943 -10.9943 -10.9908 -10.9908 -10.9694 -10.9694 -2.3337 -2.3337 -2.2851 -2.2851 -0.5811 -0.5811 -0.1324 -0.1324 -0.0567 -0.0567 0.6083 0.6083 4.2987 4.2987 6.5832 6.5832 7.8618 7.8618 11.8106 11.8106 14.3753 14.3753 14.9917 14.9917 16.1348 16.1348 k = 0.3839 0.3839-0.0000 ( 2258 PWs) bands (ev): -13.9715 -13.9715 -13.9648 -13.9648 -10.9939 -10.9939 -10.9910 -10.9910 -10.9700 -10.9700 -2.3319 -2.3319 -2.2855 -2.2855 -0.5844 -0.5844 -0.1332 -0.1332 -0.0588 -0.0588 0.5673 0.5673 4.2583 4.2583 6.6286 6.6286 8.0399 8.0399 11.7849 11.7849 14.3061 14.3061 14.9331 14.9331 16.1633 16.1633 k = 0.3750 0.3750-0.0000 ( 2254 PWs) bands (ev): -13.9715 -13.9715 -13.9649 -13.9649 -10.9935 -10.9935 -10.9911 -10.9911 -10.9707 -10.9707 -2.3301 -2.3301 -2.2858 -2.2858 -0.5886 -0.5886 -0.1341 -0.1341 -0.0609 -0.0609 0.5245 0.5245 4.2234 4.2234 6.6760 6.6760 8.2231 8.2231 11.7561 11.7561 14.2288 14.2288 14.8864 14.8864 16.1957 16.1957 k = 0.3661 0.3661-0.0000 ( 2254 PWs) bands (ev): -13.9716 -13.9716 -13.9651 -13.9651 -10.9931 -10.9931 -10.9913 -10.9913 -10.9713 -10.9713 -2.3282 -2.3282 -2.2861 -2.2861 -0.5938 -0.5938 -0.1350 -0.1350 -0.0630 -0.0630 0.4803 0.4803 4.1942 4.1942 6.7257 6.7257 8.4108 8.4108 11.7242 11.7242 14.1439 14.1439 14.8523 14.8523 16.2318 16.2318 k = 0.3571 0.3571-0.0000 ( 2246 PWs) bands (ev): -13.9716 -13.9716 -13.9653 -13.9653 -10.9926 -10.9926 -10.9914 -10.9914 -10.9720 -10.9720 -2.3262 -2.3262 -2.2864 -2.2864 -0.6002 -0.6002 -0.1359 -0.1359 -0.0652 -0.0652 0.4352 0.4352 4.1707 4.1707 6.7776 6.7776 8.6021 8.6021 11.6895 11.6895 14.0524 14.0524 14.8304 14.8304 16.2715 16.2715 k = 0.3482 0.3482-0.0000 ( 2264 PWs) bands (ev): -13.9716 -13.9716 -13.9655 -13.9655 -10.9922 -10.9922 -10.9915 -10.9915 -10.9728 -10.9728 -2.3242 -2.3242 -2.2868 -2.2868 -0.6081 -0.6081 -0.1369 -0.1369 -0.0674 -0.0674 0.3895 0.3895 4.1528 4.1528 6.8317 6.8317 8.7963 8.7963 11.6521 11.6521 13.9559 13.9559 14.8200 14.8200 16.3145 16.3145 k = 0.3393 0.3393-0.0000 ( 2264 PWs) bands (ev): -13.9716 -13.9716 -13.9657 -13.9657 -10.9921 -10.9921 -10.9914 -10.9914 -10.9735 -10.9735 -2.3222 -2.3222 -2.2871 -2.2871 -0.6177 -0.6177 -0.1378 -0.1378 -0.0696 -0.0696 0.3440 0.3440 4.1405 4.1405 6.8881 6.8881 8.9927 8.9927 11.6127 11.6127 13.8556 13.8556 14.8202 14.8202 16.3607 16.3607 k = 0.3304 0.3304-0.0000 ( 2266 PWs) bands (ev): -13.9717 -13.9717 -13.9659 -13.9659 -10.9922 -10.9922 -10.9910 -10.9910 -10.9743 -10.9743 -2.3202 -2.3202 -2.2874 -2.2874 -0.6292 -0.6292 -0.1388 -0.1388 -0.0717 -0.0717 0.2990 0.2990 4.1337 4.1337 6.9467 6.9467 9.1903 9.1903 11.5719 11.5719 13.7528 13.7528 14.8301 14.8301 16.4100 16.4100 k = 0.3214 0.3214-0.0000 ( 2266 PWs) bands (ev): -13.9717 -13.9717 -13.9661 -13.9661 -10.9924 -10.9924 -10.9905 -10.9905 -10.9751 -10.9751 -2.3181 -2.3181 -2.2877 -2.2877 -0.6429 -0.6429 -0.1398 -0.1398 -0.0738 -0.0738 0.2552 0.2552 4.1323 4.1323 7.0074 7.0074 9.3880 9.3880 11.5308 11.5308 13.6483 13.6483 14.8490 14.8490 16.4621 16.4621 k = 0.3125 0.3125-0.0000 ( 2264 PWs) bands (ev): -13.9718 -13.9718 -13.9664 -13.9664 -10.9926 -10.9926 -10.9900 -10.9900 -10.9759 -10.9759 -2.3161 -2.3161 -2.2880 -2.2880 -0.6591 -0.6591 -0.1408 -0.1408 -0.0759 -0.0759 0.2130 0.2130 4.1360 4.1360 7.0701 7.0701 9.5843 9.5843 11.4907 11.4907 13.5431 13.5431 14.8762 14.8762 16.5168 16.5168 k = 0.3036 0.3036-0.0000 ( 2264 PWs) bands (ev): -13.9718 -13.9718 -13.9666 -13.9666 -10.9928 -10.9928 -10.9895 -10.9895 -10.9767 -10.9767 -2.3141 -2.3141 -2.2883 -2.2883 -0.6780 -0.6780 -0.1418 -0.1418 -0.0779 -0.0779 0.1730 0.1730 4.1447 4.1447 7.1348 7.1348 9.7770 9.7770 11.4536 11.4536 13.4378 13.4378 14.9113 14.9113 16.5741 16.5741 k = 0.2946 0.2946-0.0000 ( 2260 PWs) bands (ev): -13.9718 -13.9718 -13.9668 -13.9668 -10.9931 -10.9931 -10.9890 -10.9890 -10.9776 -10.9776 -2.3121 -2.3121 -2.2886 -2.2886 -0.6998 -0.6998 -0.1427 -0.1427 -0.0798 -0.0798 0.1355 0.1355 4.1582 4.1582 7.2012 7.2012 9.9629 9.9629 11.4224 11.4224 13.3332 13.3332 14.9537 14.9537 16.6337 16.6337 k = 0.2857 0.2857-0.0000 ( 2258 PWs) bands (ev): -13.9719 -13.9719 -13.9671 -13.9671 -10.9933 -10.9933 -10.9885 -10.9885 -10.9784 -10.9784 -2.3102 -2.3102 -2.2889 -2.2889 -0.7245 -0.7245 -0.1437 -0.1437 -0.0816 -0.0816 0.1011 0.1011 4.1765 4.1765 7.2693 7.2693 10.1374 10.1374 11.4016 11.4016 13.2300 13.2300 15.0029 15.0029 16.6955 16.6955 k = 0.2768 0.2768-0.0000 ( 2262 PWs) bands (ev): -13.9719 -13.9719 -13.9673 -13.9673 -10.9936 -10.9936 -10.9881 -10.9881 -10.9793 -10.9793 -2.3084 -2.3084 -2.2891 -2.2891 -0.7523 -0.7523 -0.1446 -0.1446 -0.0834 -0.0834 0.0698 0.0698 4.1991 4.1991 7.3388 7.3388 10.2932 10.2932 11.3975 11.3975 13.1292 13.1292 15.0586 15.0586 16.7590 16.7590 k = 0.2679 0.2679-0.0000 ( 2262 PWs) bands (ev): -13.9720 -13.9720 -13.9676 -13.9676 -10.9938 -10.9938 -10.9876 -10.9876 -10.9801 -10.9801 -2.3066 -2.3066 -2.2893 -2.2893 -0.7830 -0.7830 -0.1456 -0.1456 -0.0852 -0.0852 0.0419 0.0419 4.2261 4.2261 7.4096 7.4096 10.4211 10.4211 11.4184 11.4184 13.0322 13.0322 15.1205 15.1205 16.8241 16.8241 k = 0.2589 0.2589-0.0000 ( 2262 PWs) bands (ev): -13.9720 -13.9720 -13.9678 -13.9678 -10.9941 -10.9941 -10.9872 -10.9872 -10.9808 -10.9808 -2.3048 -2.3048 -2.2895 -2.2895 -0.8163 -0.8163 -0.1465 -0.1465 -0.0870 -0.0870 0.0175 0.0175 4.2572 4.2572 7.4814 7.4814 10.5123 10.5123 11.4713 11.4713 12.9409 12.9409 15.1882 15.1882 16.8902 16.8902 k = 0.2500 0.2500-0.0000 ( 2266 PWs) bands (ev): -13.9721 -13.9721 -13.9681 -13.9681 -10.9944 -10.9944 -10.9869 -10.9869 -10.9815 -10.9815 -2.3032 -2.3032 -2.2897 -2.2897 -0.8521 -0.8521 -0.1473 -0.1473 -0.0890 -0.0890 -0.0035 -0.0035 4.2922 4.2922 7.5540 7.5540 10.5640 10.5640 11.5555 11.5555 12.8591 12.8591 15.2615 15.2615 16.9565 16.9565 k = 0.2411 0.2411-0.0000 ( 2261 PWs) bands (ev): -13.9721 -13.9721 -13.9684 -13.9684 -10.9946 -10.9946 -10.9868 -10.9868 -10.9821 -10.9821 -2.3016 -2.3016 -2.2899 -2.2899 -0.8900 -0.8900 -0.1481 -0.1481 -0.0912 -0.0912 -0.0211 -0.0211 4.3309 4.3309 7.6271 7.6271 10.5818 10.5818 11.6593 11.6593 12.7926 12.7926 15.3401 15.3401 17.0216 17.0216 k = 0.2321 0.2321-0.0000 ( 2255 PWs) bands (ev): -13.9722 -13.9722 -13.9686 -13.9686 -10.9949 -10.9949 -10.9868 -10.9868 -10.9824 -10.9824 -2.3001 -2.3001 -2.2900 -2.2900 -0.9295 -0.9295 -0.1489 -0.1489 -0.0939 -0.0939 -0.0353 -0.0353 4.3732 4.3732 7.7003 7.7003 10.5756 10.5756 11.7627 11.7627 12.7521 12.7521 15.4239 15.4239 17.0814 17.0814 k = 0.2232 0.2232-0.0000 ( 2259 PWs) bands (ev): -13.9722 -13.9722 -13.9689 -13.9689 -10.9952 -10.9952 -10.9871 -10.9871 -10.9826 -10.9826 -2.2988 -2.2988 -2.2901 -2.2901 -0.9702 -0.9702 -0.1497 -0.1497 -0.0974 -0.0974 -0.0462 -0.0462 4.4188 4.4188 7.7733 7.7733 10.5542 10.5542 11.8418 11.8418 12.7523 12.7523 15.5127 15.5127 17.1151 17.1151 k = 0.2143 0.2143-0.0000 ( 2259 PWs) bands (ev): -13.9723 -13.9723 -13.9692 -13.9692 -10.9954 -10.9954 -10.9876 -10.9876 -10.9825 -10.9825 -2.2975 -2.2975 -2.2902 -2.2902 -1.0118 -1.0118 -0.1504 -0.1504 -0.1016 -0.1016 -0.0540 -0.0540 4.4675 4.4675 7.8456 7.8456 10.5240 10.5240 11.8775 11.8775 12.8063 12.8063 15.6064 15.6064 17.0461 17.0461 k = 0.2054 0.2054-0.0000 ( 2259 PWs) bands (ev): -13.9723 -13.9723 -13.9694 -13.9694 -10.9957 -10.9957 -10.9882 -10.9882 -10.9822 -10.9822 -2.2963 -2.2963 -2.2903 -2.2903 -1.0538 -1.0538 -0.1510 -0.1510 -0.1064 -0.1064 -0.0591 -0.0591 4.5191 4.5191 7.9168 7.9168 10.4891 10.4891 11.8670 11.8670 12.9124 12.9124 15.7048 15.7048 16.9144 16.9144 k = 0.1964 0.1964-0.0000 ( 2255 PWs) bands (ev): -13.9724 -13.9724 -13.9697 -13.9697 -10.9960 -10.9960 -10.9889 -10.9889 -10.9819 -10.9819 -2.2952 -2.2952 -2.2903 -2.2903 -1.0958 -1.0958 -0.1516 -0.1516 -0.1116 -0.1116 -0.0622 -0.0622 4.5735 4.5735 7.9863 7.9863 10.4523 10.4523 11.8218 11.8218 13.0563 13.0563 15.8078 15.8078 16.7761 16.7761 k = 0.1875 0.1875-0.0000 ( 2265 PWs) bands (ev): -13.9725 -13.9725 -13.9700 -13.9700 -10.9963 -10.9963 -10.9897 -10.9897 -10.9816 -10.9816 -2.2943 -2.2943 -2.2903 -2.2903 -1.1376 -1.1376 -0.1522 -0.1522 -0.1167 -0.1167 -0.0638 -0.0638 4.6303 4.6303 8.0537 8.0537 10.4158 10.4158 11.7552 11.7552 13.2224 13.2224 15.9151 15.9151 16.6406 16.6406 k = 0.1786 0.1786-0.0000 ( 2265 PWs) bands (ev): -13.9725 -13.9725 -13.9702 -13.9702 -10.9965 -10.9965 -10.9904 -10.9904 -10.9812 -10.9812 -2.2934 -2.2934 -2.2903 -2.2903 -1.1787 -1.1787 -0.1527 -0.1527 -0.1215 -0.1215 -0.0644 -0.0644 4.6894 4.6894 8.1181 8.1181 10.3810 10.3810 11.6763 11.6763 13.4001 13.4001 16.0254 16.0254 16.5109 16.5109 k = 0.1696 0.1696-0.0000 ( 2261 PWs) bands (ev): -13.9726 -13.9726 -13.9705 -13.9705 -10.9968 -10.9968 -10.9912 -10.9912 -10.9808 -10.9808 -2.2927 -2.2927 -2.2902 -2.2902 -1.2190 -1.2190 -0.1532 -0.1532 -0.1260 -0.1260 -0.0643 -0.0643 4.7504 4.7504 8.1790 8.1790 10.3490 10.3490 11.5908 11.5908 13.5824 13.5824 16.1343 16.1343 16.3917 16.3917 k = 0.1607 0.1607-0.0000 ( 2261 PWs) bands (ev): -13.9726 -13.9726 -13.9707 -13.9707 -10.9970 -10.9970 -10.9920 -10.9920 -10.9805 -10.9805 -2.2921 -2.2921 -2.2901 -2.2901 -1.2582 -1.2582 -0.1536 -0.1536 -0.1300 -0.1300 -0.0636 -0.0636 4.8131 4.8131 8.2355 8.2355 10.3210 10.3210 11.5019 11.5019 13.7647 13.7647 16.2009 16.2009 16.3220 16.3220 k = 0.1518 0.1518-0.0000 ( 2253 PWs) bands (ev): -13.9727 -13.9727 -13.9710 -13.9710 -10.9973 -10.9973 -10.9927 -10.9927 -10.9801 -10.9801 -2.2916 -2.2916 -2.2900 -2.2900 -1.2961 -1.2961 -0.1540 -0.1540 -0.1336 -0.1336 -0.0626 -0.0626 4.8772 4.8772 8.2870 8.2870 10.2977 10.2977 11.4118 11.4118 13.9439 13.9439 16.1276 16.1276 16.3922 16.3922 k = 0.1429 0.1429-0.0000 ( 2259 PWs) bands (ev): -13.9727 -13.9727 -13.9712 -13.9712 -10.9975 -10.9975 -10.9934 -10.9934 -10.9797 -10.9797 -2.2912 -2.2912 -2.2898 -2.2898 -1.3325 -1.3325 -0.1543 -0.1543 -0.1367 -0.1367 -0.0614 -0.0614 4.9423 4.9423 8.3328 8.3328 10.2798 10.2798 11.3218 11.3218 14.1175 14.1175 16.0266 16.0266 16.4646 16.4646 k = 0.1339 0.1339-0.0000 ( 2257 PWs) bands (ev): -13.9728 -13.9728 -13.9714 -13.9714 -10.9978 -10.9978 -10.9941 -10.9941 -10.9794 -10.9794 -2.2910 -2.2910 -2.2896 -2.2896 -1.3672 -1.3672 -0.1546 -0.1546 -0.1396 -0.1396 -0.0599 -0.0599 5.0081 5.0081 8.3722 8.3722 10.2678 10.2678 11.2331 11.2331 14.2837 14.2837 15.9283 15.9283 16.4534 16.4534 k = 0.1250 0.1250-0.0000 ( 2253 PWs) bands (ev): -13.9728 -13.9728 -13.9716 -13.9716 -10.9980 -10.9980 -10.9948 -10.9948 -10.9791 -10.9791 -2.2908 -2.2908 -2.2894 -2.2894 -1.4001 -1.4001 -0.1549 -0.1549 -0.1421 -0.1421 -0.0584 -0.0584 5.0741 5.0741 8.4048 8.4048 10.2621 10.2621 11.1466 11.1466 14.4406 14.4406 15.8357 15.8357 16.3609 16.3609 k = 0.1161 0.1161-0.0000 ( 2253 PWs) bands (ev): -13.9729 -13.9729 -13.9718 -13.9718 -10.9982 -10.9982 -10.9954 -10.9954 -10.9788 -10.9788 -2.2907 -2.2907 -2.2893 -2.2893 -1.4312 -1.4312 -0.1551 -0.1551 -0.1443 -0.1443 -0.0568 -0.0568 5.1399 5.1399 8.4303 8.4303 10.2627 10.2627 11.0631 11.0631 14.5872 14.5872 15.7497 15.7497 16.2402 16.2402 k = 0.1071 0.1071-0.0000 ( 2251 PWs) bands (ev): -13.9729 -13.9729 -13.9720 -13.9720 -10.9984 -10.9984 -10.9960 -10.9960 -10.9785 -10.9785 -2.2906 -2.2906 -2.2892 -2.2892 -1.4602 -1.4602 -0.1553 -0.1553 -0.1463 -0.1463 -0.0551 -0.0551 5.2050 5.2050 8.4487 8.4487 10.2693 10.2693 10.9833 10.9833 14.7223 14.7223 15.6705 15.6705 16.1141 16.1141 k = 0.0982 0.0982-0.0000 ( 2251 PWs) bands (ev): -13.9730 -13.9730 -13.9722 -13.9722 -10.9986 -10.9986 -10.9966 -10.9966 -10.9782 -10.9782 -2.2905 -2.2905 -2.2891 -2.2891 -1.4872 -1.4872 -0.1555 -0.1555 -0.1480 -0.1480 -0.0535 -0.0535 5.2688 5.2688 8.4603 8.4603 10.2816 10.2816 10.9077 10.9077 14.8449 14.8449 15.5984 15.5984 15.9906 15.9906 k = 0.0893 0.0893-0.0000 ( 2247 PWs) bands (ev): -13.9730 -13.9730 -13.9724 -13.9724 -10.9988 -10.9988 -10.9971 -10.9971 -10.9780 -10.9780 -2.2904 -2.2904 -2.2891 -2.2891 -1.5120 -1.5120 -0.1556 -0.1556 -0.1495 -0.1495 -0.0519 -0.0519 5.3308 5.3308 8.4656 8.4656 10.2986 10.2986 10.8369 10.8369 14.9541 14.9541 15.5335 15.5335 15.8733 15.8733 k = 0.0804 0.0804-0.0000 ( 2251 PWs) bands (ev): -13.9730 -13.9730 -13.9725 -13.9725 -10.9989 -10.9989 -10.9976 -10.9976 -10.9778 -10.9778 -2.2903 -2.2903 -2.2892 -2.2892 -1.5346 -1.5346 -0.1557 -0.1557 -0.1508 -0.1508 -0.0503 -0.0503 5.3902 5.3902 8.4655 8.4655 10.3194 10.3194 10.7714 10.7714 15.0485 15.0485 15.4764 15.4764 15.7650 15.7650 k = 0.0714 0.0714-0.0000 ( 2259 PWs) bands (ev): -13.9731 -13.9731 -13.9727 -13.9727 -10.9991 -10.9991 -10.9980 -10.9980 -10.9776 -10.9776 -2.2902 -2.2902 -2.2893 -2.2893 -1.5549 -1.5549 -0.1558 -0.1558 -0.1520 -0.1520 -0.0489 -0.0489 5.4463 5.4463 8.4608 8.4608 10.3427 10.3427 10.7118 10.7118 15.1258 15.1258 15.4275 15.4275 15.6689 15.6689 k = 0.0625 0.0625-0.0000 ( 2259 PWs) bands (ev): -13.9731 -13.9731 -13.9728 -13.9728 -10.9992 -10.9992 -10.9984 -10.9984 -10.9774 -10.9774 -2.2902 -2.2902 -2.2894 -2.2894 -1.5729 -1.5729 -0.1558 -0.1558 -0.1529 -0.1529 -0.0476 -0.0476 5.4985 5.4985 8.4527 8.4527 10.3675 10.3675 10.6583 10.6583 15.1820 15.1820 15.3867 15.3867 15.5902 15.5902 k = 0.0536 0.0536-0.0000 ( 2267 PWs) bands (ev): -13.9731 -13.9731 -13.9729 -13.9729 -10.9993 -10.9993 -10.9987 -10.9987 -10.9772 -10.9772 -2.2901 -2.2901 -2.2895 -2.2895 -1.5886 -1.5886 -0.1559 -0.1559 -0.1538 -0.1538 -0.0464 -0.0464 5.5459 5.5459 8.4425 8.4425 10.3922 10.3922 10.6113 10.6113 15.2120 15.2120 15.3511 15.3511 15.5383 15.5383 k = 0.0446 0.0446-0.0000 ( 2267 PWs) bands (ev): -13.9732 -13.9732 -13.9730 -13.9730 -10.9994 -10.9994 -10.9990 -10.9990 -10.9771 -10.9771 -2.2901 -2.2901 -2.2896 -2.2896 -1.6019 -1.6019 -0.1559 -0.1559 -0.1545 -0.1545 -0.0454 -0.0454 5.5877 5.5877 8.4313 8.4313 10.4156 10.4156 10.5711 10.5711 15.2175 15.2175 15.3128 15.3128 15.5203 15.5203 k = 0.0357 0.0357-0.0000 ( 2271 PWs) bands (ev): -13.9732 -13.9732 -13.9731 -13.9731 -10.9995 -10.9995 -10.9992 -10.9992 -10.9770 -10.9770 -2.2900 -2.2900 -2.2897 -2.2897 -1.6128 -1.6128 -0.1559 -0.1559 -0.1550 -0.1550 -0.0445 -0.0445 5.6232 5.6232 8.4202 8.4202 10.4367 10.4367 10.5379 10.5379 15.2092 15.2092 15.2710 15.2710 15.5273 15.5273 k = 0.0268 0.0268-0.0000 ( 2271 PWs) bands (ev): -13.9732 -13.9732 -13.9731 -13.9731 -10.9996 -10.9996 -10.9994 -10.9994 -10.9769 -10.9769 -2.2900 -2.2900 -2.2898 -2.2898 -1.6213 -1.6213 -0.1560 -0.1560 -0.1554 -0.1554 -0.0439 -0.0439 5.6517 5.6517 8.4104 8.4104 10.4542 10.4542 10.5119 10.5119 15.1973 15.1973 15.2326 15.2326 15.5431 15.5431 k = 0.0179 0.0179-0.0000 ( 2279 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9996 -10.9996 -10.9996 -10.9996 -10.9768 -10.9768 -2.2900 -2.2900 -2.2899 -2.2899 -1.6273 -1.6273 -0.1560 -0.1560 -0.1557 -0.1557 -0.0434 -0.0434 5.6725 5.6725 8.4026 8.4026 10.4674 10.4674 10.4933 10.4933 15.1869 15.1869 15.2027 15.2027 15.5581 15.5581 k = 0.0089 0.0089-0.0000 ( 2301 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9997 -10.9997 -10.9996 -10.9996 -10.9768 -10.9768 -2.2899 -2.2899 -2.2899 -2.2899 -1.6310 -1.6310 -0.1560 -0.1560 -0.1559 -0.1559 -0.0431 -0.0431 5.6852 5.6852 8.3977 8.3977 10.4756 10.4756 10.4821 10.4821 15.1800 15.1800 15.1840 15.1840 15.5683 15.5683 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9997 -10.9997 -10.9997 -10.9997 -10.9768 -10.9768 -2.2899 -2.2899 -2.2899 -2.2899 -1.6322 -1.6322 -0.1560 -0.1560 -0.1560 -0.1560 -0.0430 -0.0430 5.6895 5.6895 8.3960 8.3960 10.4783 10.4783 10.4783 10.4783 15.1777 15.1777 15.1777 15.1777 15.5718 15.5718 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9997 -10.9997 -10.9997 -10.9997 -10.9768 -10.9768 -2.2899 -2.2899 -2.2899 -2.2899 -1.6322 -1.6322 -0.1560 -0.1560 -0.1560 -0.1560 -0.0430 -0.0430 5.6895 5.6895 8.3960 8.3960 10.4783 10.4783 10.4783 10.4783 15.1777 15.1777 15.1777 15.1777 15.5718 15.5718 k = 0.0072 0.0072 0.0072 ( 2301 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9996 -10.9996 -10.9996 -10.9996 -10.9768 -10.9768 -2.2899 -2.2899 -2.2899 -2.2899 -1.6310 -1.6310 -0.1560 -0.1560 -0.1559 -0.1559 -0.0431 -0.0431 5.6853 5.6853 8.3977 8.3977 10.4752 10.4752 10.4824 10.4824 15.1808 15.1808 15.1832 15.1832 15.5683 15.5683 k = 0.0145 0.0145 0.0145 ( 2283 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9996 -10.9996 -10.9996 -10.9996 -10.9768 -10.9768 -2.2899 -2.2899 -2.2899 -2.2899 -1.6274 -1.6274 -0.1560 -0.1560 -0.1558 -0.1558 -0.0434 -0.0434 5.6728 5.6728 8.4025 8.4025 10.4658 10.4658 10.4949 10.4949 15.1895 15.1895 15.1998 15.1998 15.5581 15.5581 k = 0.0217 0.0217 0.0217 ( 2271 PWs) bands (ev): -13.9732 -13.9732 -13.9732 -13.9732 -10.9995 -10.9995 -10.9995 -10.9995 -10.9769 -10.9769 -2.2899 -2.2899 -2.2899 -2.2899 -1.6214 -1.6214 -0.1559 -0.1559 -0.1555 -0.1555 -0.0439 -0.0439 5.6523 5.6523 8.4099 8.4099 10.4502 10.4502 10.5158 10.5158 15.2026 15.2026 15.2272 15.2272 15.5425 15.5425 k = 0.0290 0.0290 0.0290 ( 2271 PWs) bands (ev): -13.9731 -13.9731 -13.9731 -13.9731 -10.9994 -10.9994 -10.9994 -10.9994 -10.9770 -10.9770 -2.2899 -2.2899 -2.2898 -2.2898 -1.6130 -1.6130 -0.1559 -0.1559 -0.1551 -0.1551 -0.0445 -0.0445 5.6245 5.6245 8.4191 8.4191 10.4289 10.4289 10.5456 10.5456 15.2168 15.2168 15.2652 15.2652 15.5243 15.5243 k = 0.0362 0.0362 0.0362 ( 2262 PWs) bands (ev): -13.9731 -13.9731 -13.9731 -13.9731 -10.9992 -10.9992 -10.9992 -10.9992 -10.9771 -10.9771 -2.2899 -2.2899 -2.2897 -2.2897 -1.6022 -1.6022 -0.1557 -0.1557 -0.1546 -0.1546 -0.0454 -0.0454 5.5899 5.5899 8.4291 8.4291 10.4019 10.4019 10.5847 10.5847 15.2259 15.2259 15.3136 15.3136 15.5093 15.5093 k = 0.0435 0.0435 0.0435 ( 2262 PWs) bands (ev): -13.9730 -13.9730 -13.9730 -13.9730 -10.9990 -10.9990 -10.9990 -10.9990 -10.9772 -10.9772 -2.2899 -2.2899 -2.2897 -2.2897 -1.5891 -1.5891 -0.1556 -0.1556 -0.1540 -0.1540 -0.0464 -0.0464 5.5496 5.5496 8.4387 8.4387 10.3699 10.3699 10.6333 10.6333 15.2198 15.2198 15.3718 15.3718 15.5070 15.5070 k = 0.0507 0.0507 0.0507 ( 2256 PWs) bands (ev): -13.9730 -13.9730 -13.9729 -13.9729 -10.9988 -10.9988 -10.9988 -10.9988 -10.9774 -10.9774 -2.2900 -2.2900 -2.2896 -2.2896 -1.5736 -1.5736 -0.1554 -0.1554 -0.1533 -0.1533 -0.0475 -0.0475 5.5042 5.5042 8.4470 8.4470 10.3330 10.3330 10.6919 10.6919 15.1898 15.1898 15.4395 15.4395 15.5258 15.5258 k = 0.0580 0.0580 0.0580 ( 2256 PWs) bands (ev): -13.9729 -13.9729 -13.9729 -13.9729 -10.9986 -10.9986 -10.9985 -10.9985 -10.9776 -10.9776 -2.2901 -2.2901 -2.2895 -2.2895 -1.5558 -1.5558 -0.1551 -0.1551 -0.1525 -0.1525 -0.0488 -0.0488 5.4547 5.4547 8.4529 8.4529 10.2920 10.2920 10.7605 10.7605 15.1354 15.1354 15.5161 15.5161 15.5656 15.5656 k = 0.0652 0.0652 0.0652 ( 2253 PWs) bands (ev): -13.9728 -13.9728 -13.9728 -13.9728 -10.9983 -10.9983 -10.9983 -10.9983 -10.9778 -10.9778 -2.2903 -2.2903 -2.2893 -2.2893 -1.5357 -1.5357 -0.1547 -0.1547 -0.1516 -0.1516 -0.0502 -0.0502 5.4019 5.4019 8.4556 8.4556 10.2472 10.2472 10.8392 10.8392 15.0611 15.0611 15.6012 15.6012 15.6215 15.6215 k = 0.0725 0.0725 0.0725 ( 2241 PWs) bands (ev): -13.9727 -13.9727 -13.9727 -13.9727 -10.9980 -10.9980 -10.9979 -10.9979 -10.9780 -10.9780 -2.2905 -2.2905 -2.2892 -2.2892 -1.5133 -1.5133 -0.1542 -0.1542 -0.1506 -0.1506 -0.0517 -0.0517 5.3466 5.3466 8.4546 8.4546 10.1990 10.1990 10.9278 10.9278 14.9710 14.9710 15.6893 15.6893 15.6943 15.6943 k = 0.0797 0.0797 0.0797 ( 2241 PWs) bands (ev): -13.9726 -13.9726 -13.9726 -13.9726 -10.9976 -10.9976 -10.9976 -10.9976 -10.9782 -10.9782 -2.2908 -2.2908 -2.2891 -2.2891 -1.4887 -1.4887 -0.1536 -0.1536 -0.1495 -0.1495 -0.0532 -0.0532 5.2895 5.2895 8.4495 8.4495 10.1481 10.1481 11.0256 11.0256 14.8677 14.8677 15.7658 15.7658 15.7948 15.7948 k = 0.0870 0.0870 0.0870 ( 2241 PWs) bands (ev): -13.9725 -13.9725 -13.9724 -13.9724 -10.9972 -10.9972 -10.9972 -10.9972 -10.9785 -10.9785 -2.2911 -2.2911 -2.2889 -2.2889 -1.4620 -1.4620 -0.1528 -0.1528 -0.1483 -0.1483 -0.0548 -0.0548 5.2314 5.2314 8.4403 8.4403 10.0948 10.0948 11.1319 11.1319 14.7533 14.7533 15.8487 15.8487 15.9021 15.9021 k = 0.0942 0.0942 0.0942 ( 2241 PWs) bands (ev): -13.9724 -13.9724 -13.9723 -13.9723 -10.9968 -10.9968 -10.9968 -10.9968 -10.9788 -10.9788 -2.2916 -2.2916 -2.2887 -2.2887 -1.4333 -1.4333 -0.1518 -0.1518 -0.1470 -0.1470 -0.0563 -0.0563 5.1727 5.1727 8.4270 8.4270 10.0397 10.0397 11.2458 11.2458 14.6298 14.6298 15.9355 15.9355 16.0156 16.0156 k = 0.1014 0.1014 0.1014 ( 2241 PWs) bands (ev): -13.9723 -13.9723 -13.9722 -13.9722 -10.9964 -10.9964 -10.9963 -10.9963 -10.9791 -10.9791 -2.2921 -2.2921 -2.2886 -2.2886 -1.4025 -1.4025 -0.1506 -0.1506 -0.1456 -0.1456 -0.0578 -0.0578 5.1140 5.1140 8.4098 8.4098 9.9830 9.9830 11.3658 11.3658 14.4990 14.4990 16.0224 16.0224 16.1346 16.1346 k = 0.1087 0.1087 0.1087 ( 2247 PWs) bands (ev): -13.9722 -13.9722 -13.9720 -13.9720 -10.9960 -10.9960 -10.9959 -10.9959 -10.9795 -10.9795 -2.2927 -2.2927 -2.2884 -2.2884 -1.3698 -1.3698 -0.1492 -0.1492 -0.1441 -0.1441 -0.0592 -0.0592 5.0557 5.0557 8.3891 8.3891 9.9253 9.9253 11.4902 11.4902 14.3634 14.3634 16.1015 16.1015 16.2583 16.2583 k = 0.1159 0.1159 0.1159 ( 2247 PWs) bands (ev): -13.9720 -13.9720 -13.9719 -13.9719 -10.9955 -10.9955 -10.9954 -10.9954 -10.9799 -10.9799 -2.2934 -2.2934 -2.2882 -2.2882 -1.3354 -1.3354 -0.1475 -0.1475 -0.1425 -0.1425 -0.0603 -0.0603 4.9984 4.9984 8.3651 8.3651 9.8669 9.8669 11.6165 11.6165 14.2257 14.2257 16.1558 16.1558 16.3853 16.3853 k = 0.1232 0.1232 0.1232 ( 2247 PWs) bands (ev): -13.9719 -13.9719 -13.9717 -13.9717 -10.9950 -10.9950 -10.9949 -10.9949 -10.9803 -10.9803 -2.2941 -2.2941 -2.2880 -2.2880 -1.2993 -1.2993 -0.1456 -0.1456 -0.1408 -0.1408 -0.0611 -0.0611 4.9423 4.9423 8.3384 8.3384 9.8080 9.8080 11.7417 11.7417 14.0898 14.0898 16.1555 16.1555 16.5132 16.5132 k = 0.1304 0.1304 0.1304 ( 2253 PWs) bands (ev): -13.9717 -13.9717 -13.9716 -13.9716 -10.9945 -10.9945 -10.9943 -10.9943 -10.9807 -10.9807 -2.2950 -2.2950 -2.2878 -2.2878 -1.2617 -1.2617 -0.1434 -0.1434 -0.1390 -0.1390 -0.0615 -0.0615 4.8877 4.8877 8.3092 8.3092 9.7492 9.7492 11.8611 11.8611 13.9605 13.9605 16.0861 16.0861 16.6361 16.6361 k = 0.1377 0.1377 0.1377 ( 2256 PWs) bands (ev): -13.9716 -13.9716 -13.9714 -13.9714 -10.9939 -10.9939 -10.9937 -10.9937 -10.9811 -10.9811 -2.2959 -2.2959 -2.2876 -2.2876 -1.2228 -1.2228 -0.1411 -0.1411 -0.1372 -0.1372 -0.0613 -0.0613 4.8349 4.8349 8.2782 8.2782 9.6905 9.6905 11.9684 11.9684 13.8447 13.8447 15.9704 15.9704 16.7369 16.7369 k = 0.1449 0.1449 0.1449 ( 2256 PWs) bands (ev): -13.9714 -13.9714 -13.9712 -13.9712 -10.9934 -10.9934 -10.9932 -10.9932 -10.9816 -10.9816 -2.2969 -2.2969 -2.2873 -2.2873 -1.1828 -1.1828 -0.1386 -0.1386 -0.1353 -0.1353 -0.0603 -0.0603 4.7842 4.7842 8.2455 8.2455 9.6323 9.6323 12.0549 12.0549 13.7514 13.7514 15.8329 15.8329 16.7686 16.7686 k = 0.1522 0.1522 0.1522 ( 2256 PWs) bands (ev): -13.9713 -13.9713 -13.9711 -13.9711 -10.9928 -10.9928 -10.9925 -10.9925 -10.9821 -10.9821 -2.2979 -2.2979 -2.2871 -2.2871 -1.1418 -1.1418 -0.1362 -0.1362 -0.1333 -0.1333 -0.0582 -0.0582 4.7358 4.7358 8.2116 8.2116 9.5749 9.5749 12.1096 12.1096 13.6917 13.6917 15.6854 15.6854 16.6943 16.6943 k = 0.1594 0.1594 0.1594 ( 2280 PWs) bands (ev): -13.9711 -13.9711 -13.9709 -13.9709 -10.9922 -10.9922 -10.9919 -10.9919 -10.9826 -10.9826 -2.2989 -2.2989 -2.2869 -2.2869 -1.1001 -1.1001 -0.1340 -0.1340 -0.1312 -0.1312 -0.0547 -0.0547 4.6899 4.6899 8.1769 8.1769 9.5184 9.5184 12.1228 12.1228 13.6755 13.6755 15.5331 15.5331 16.5602 16.5602 k = 0.1667 0.1667 0.1667 ( 2280 PWs) bands (ev): -13.9709 -13.9709 -13.9707 -13.9707 -10.9916 -10.9916 -10.9913 -10.9913 -10.9831 -10.9831 -2.3000 -2.3000 -2.2867 -2.2867 -1.0580 -1.0580 -0.1320 -0.1320 -0.1291 -0.1291 -0.0494 -0.0494 4.6467 4.6467 8.1416 8.1416 9.4631 9.4631 12.0902 12.0902 13.7069 13.7069 15.3785 15.3785 16.4044 16.4044 k = 0.1739 0.1739 0.1739 ( 2268 PWs) bands (ev): -13.9707 -13.9707 -13.9706 -13.9706 -10.9910 -10.9910 -10.9906 -10.9906 -10.9836 -10.9836 -2.3011 -2.3011 -2.2865 -2.2865 -1.0157 -1.0157 -0.1305 -0.1305 -0.1269 -0.1269 -0.0422 -0.0422 4.6063 4.6063 8.1061 8.1061 9.4091 9.4091 12.0159 12.0159 13.7814 13.7814 15.2233 15.2233 16.2400 16.2400 k = 0.1812 0.1812 0.1812 ( 2268 PWs) bands (ev): -13.9706 -13.9706 -13.9704 -13.9704 -10.9903 -10.9903 -10.9900 -10.9900 -10.9842 -10.9842 -2.3022 -2.3022 -2.2863 -2.2863 -0.9735 -0.9735 -0.1296 -0.1296 -0.1247 -0.1247 -0.0326 -0.0326 4.5689 4.5689 8.0706 8.0706 9.3567 9.3567 11.9090 11.9090 13.8888 13.8888 15.0690 15.0690 16.0715 16.0715 k = 0.1884 0.1884 0.1884 ( 2268 PWs) bands (ev): -13.9704 -13.9704 -13.9702 -13.9702 -10.9897 -10.9897 -10.9893 -10.9893 -10.9848 -10.9848 -2.3033 -2.3033 -2.2861 -2.2861 -0.9318 -0.9318 -0.1291 -0.1291 -0.1224 -0.1224 -0.0205 -0.0205 4.5347 4.5347 8.0354 8.0354 9.3059 9.3059 11.7792 11.7792 14.0171 14.0171 14.9180 14.9180 15.9011 15.9011 k = 0.1957 0.1957 0.1957 ( 2256 PWs) bands (ev): -13.9702 -13.9702 -13.9700 -13.9700 -10.9890 -10.9890 -10.9886 -10.9886 -10.9854 -10.9854 -2.3044 -2.3044 -2.2859 -2.2859 -0.8909 -0.8909 -0.1291 -0.1291 -0.1200 -0.1200 -0.0059 -0.0059 4.5037 4.5037 8.0006 8.0006 9.2569 9.2569 11.6343 11.6343 14.1525 14.1525 14.7762 14.7762 15.7299 15.7299 k = 0.2029 0.2029 0.2029 ( 2250 PWs) bands (ev): -13.9700 -13.9700 -13.9698 -13.9698 -10.9883 -10.9883 -10.9879 -10.9879 -10.9860 -10.9860 -2.3055 -2.3055 -2.2857 -2.2857 -0.8510 -0.8510 -0.1295 -0.1295 -0.1177 -0.1177 0.0115 0.0115 4.4762 4.4762 7.9666 7.9666 9.2099 9.2099 11.4799 11.4799 14.2667 14.2667 14.6658 14.6658 15.5586 15.5586 k = 0.2101 0.2101 0.2101 ( 2250 PWs) bands (ev): -13.9698 -13.9698 -13.9697 -13.9697 -10.9877 -10.9877 -10.9871 -10.9871 -10.9866 -10.9866 -2.3065 -2.3065 -2.2855 -2.2855 -0.8125 -0.8125 -0.1302 -0.1302 -0.1153 -0.1153 0.0317 0.0317 4.4523 4.4523 7.9333 7.9333 9.1649 9.1649 11.3196 11.3196 14.2837 14.2837 14.6582 14.6582 15.3876 15.3876 k = 0.2174 0.2174 0.2174 ( 2250 PWs) bands (ev): -13.9696 -13.9696 -13.9695 -13.9695 -10.9874 -10.9874 -10.9869 -10.9869 -10.9864 -10.9864 -2.3075 -2.3075 -2.2854 -2.2854 -0.7757 -0.7757 -0.1310 -0.1310 -0.1129 -0.1129 0.0546 0.0546 4.4321 4.4321 7.9011 7.9011 9.1222 9.1222 11.1564 11.1564 14.1860 14.1860 14.7667 14.7667 15.2172 15.2172 k = 0.2246 0.2246 0.2246 ( 2250 PWs) bands (ev): -13.9694 -13.9694 -13.9693 -13.9693 -10.9879 -10.9879 -10.9862 -10.9862 -10.9857 -10.9857 -2.3084 -2.3084 -2.2852 -2.2852 -0.7407 -0.7407 -0.1321 -0.1321 -0.1105 -0.1105 0.0802 0.0802 4.4157 4.4157 7.8700 7.8700 9.0817 9.0817 10.9919 10.9919 14.0492 14.0492 14.9123 14.9123 15.0479 15.0479 k = 0.2319 0.2319 0.2319 ( 2244 PWs) bands (ev): -13.9692 -13.9692 -13.9691 -13.9691 -10.9886 -10.9886 -10.9855 -10.9855 -10.9850 -10.9850 -2.3092 -2.3092 -2.2851 -2.2851 -0.7078 -0.7078 -0.1332 -0.1332 -0.1080 -0.1080 0.1084 0.1084 4.4033 4.4033 7.8401 7.8401 9.0435 9.0435 10.8276 10.8276 13.9019 13.9019 14.8796 14.8796 15.0626 15.0626 k = 0.2391 0.2391 0.2391 ( 2244 PWs) bands (ev): -13.9690 -13.9690 -13.9689 -13.9689 -10.9892 -10.9892 -10.9848 -10.9848 -10.9842 -10.9842 -2.3099 -2.3099 -2.2850 -2.2850 -0.6770 -0.6770 -0.1343 -0.1343 -0.1056 -0.1056 0.1391 0.1391 4.3951 4.3951 7.8116 7.8116 9.0079 9.0079 10.6647 10.6647 13.7513 13.7513 14.7127 14.7127 15.2065 15.2065 k = 0.2464 0.2464 0.2464 ( 2250 PWs) bands (ev): -13.9688 -13.9688 -13.9688 -13.9688 -10.9899 -10.9899 -10.9841 -10.9841 -10.9835 -10.9835 -2.3106 -2.3106 -2.2849 -2.2849 -0.6483 -0.6483 -0.1354 -0.1354 -0.1032 -0.1032 0.1720 0.1720 4.3912 4.3912 7.7844 7.7844 8.9747 8.9747 10.5038 10.5038 13.5998 13.5998 14.5473 14.5473 15.3368 15.3368 k = 0.2536 0.2536 0.2536 ( 2250 PWs) bands (ev): -13.9686 -13.9686 -13.9686 -13.9686 -10.9905 -10.9905 -10.9834 -10.9834 -10.9827 -10.9827 -2.3111 -2.3111 -2.2848 -2.2848 -0.6218 -0.6218 -0.1365 -0.1365 -0.1008 -0.1008 0.2067 0.2067 4.3917 4.3917 7.7588 7.7588 8.9442 8.9442 10.3458 10.3458 13.4486 13.4486 14.3836 14.3836 15.4476 15.4476 k = 0.2609 0.2609 0.2609 ( 2250 PWs) bands (ev): -13.9684 -13.9684 -13.9684 -13.9684 -10.9912 -10.9912 -10.9827 -10.9827 -10.9820 -10.9820 -2.3115 -2.3115 -2.2847 -2.2847 -0.5972 -0.5972 -0.1375 -0.1375 -0.0984 -0.0984 0.2429 0.2429 4.3967 4.3967 7.7346 7.7346 8.9163 8.9163 10.1912 10.1912 13.2981 13.2981 14.2215 14.2215 15.5329 15.5329 k = 0.2681 0.2681 0.2681 ( 2250 PWs) bands (ev): -13.9682 -13.9682 -13.9682 -13.9682 -10.9919 -10.9919 -10.9820 -10.9820 -10.9813 -10.9813 -2.3118 -2.3118 -2.2846 -2.2846 -0.5746 -0.5746 -0.1384 -0.1384 -0.0960 -0.0960 0.2802 0.2802 4.4064 4.4064 7.7120 7.7120 8.8912 8.8912 10.0406 10.0406 13.1487 13.1487 14.0613 14.0613 15.5871 15.5871 k = 0.2754 0.2754 0.2754 ( 2250 PWs) bands (ev): -13.9681 -13.9681 -13.9680 -13.9680 -10.9925 -10.9925 -10.9813 -10.9813 -10.9805 -10.9805 -2.3120 -2.3120 -2.2846 -2.2846 -0.5536 -0.5536 -0.1391 -0.1391 -0.0937 -0.0937 0.3182 0.3182 4.4210 4.4210 7.6909 7.6909 8.8688 8.8688 9.8943 9.8943 13.0008 13.0008 13.9031 13.9031 15.6059 15.6059 k = 0.2826 0.2826 0.2826 ( 2250 PWs) bands (ev): -13.9679 -13.9679 -13.9678 -13.9678 -10.9932 -10.9932 -10.9806 -10.9806 -10.9798 -10.9798 -2.3121 -2.3121 -2.2846 -2.2846 -0.5342 -0.5342 -0.1397 -0.1397 -0.0914 -0.0914 0.3562 0.3562 4.4405 4.4405 7.6713 7.6713 8.8492 8.8492 9.7529 9.7529 12.8544 12.8544 13.7468 13.7468 15.5869 15.5869 k = 0.2899 0.2899 0.2899 ( 2256 PWs) bands (ev): -13.9677 -13.9677 -13.9676 -13.9676 -10.9938 -10.9938 -10.9798 -10.9798 -10.9791 -10.9791 -2.3120 -2.3120 -2.2846 -2.2846 -0.5162 -0.5162 -0.1402 -0.1402 -0.0891 -0.0891 0.3940 0.3940 4.4649 4.4649 7.6532 7.6532 8.8325 8.8325 9.6168 9.6168 12.7098 12.7098 13.5927 13.5927 15.5303 15.5303 k = 0.2971 0.2971 0.2971 ( 2256 PWs) bands (ev): -13.9675 -13.9675 -13.9674 -13.9674 -10.9944 -10.9944 -10.9791 -10.9791 -10.9784 -10.9784 -2.3118 -2.3118 -2.2846 -2.2846 -0.4993 -0.4993 -0.1404 -0.1404 -0.0869 -0.0869 0.4311 0.4311 4.4944 4.4944 7.6364 7.6364 8.8187 8.8187 9.4864 9.4864 12.5671 12.5671 13.4408 13.4408 15.4386 15.4386 k = 0.3043 0.3043 0.3043 ( 2269 PWs) bands (ev): -13.9673 -13.9673 -13.9672 -13.9672 -10.9951 -10.9951 -10.9784 -10.9784 -10.9777 -10.9777 -2.3115 -2.3115 -2.2846 -2.2846 -0.4834 -0.4834 -0.1404 -0.1404 -0.0847 -0.0847 0.4671 0.4671 4.5290 4.5290 7.6210 7.6210 8.8077 8.8077 9.3621 9.3621 12.4265 12.4265 13.2912 13.2912 15.3159 15.3159 k = 0.3116 0.3116 0.3116 ( 2269 PWs) bands (ev): -13.9672 -13.9672 -13.9670 -13.9670 -10.9957 -10.9957 -10.9778 -10.9778 -10.9770 -10.9770 -2.3110 -2.3110 -2.2847 -2.2847 -0.4684 -0.4684 -0.1402 -0.1402 -0.0827 -0.0827 0.5016 0.5016 4.5686 4.5686 7.6066 7.6066 8.7996 8.7996 9.2443 9.2443 12.2879 12.2879 13.1439 13.1439 15.1673 15.1673 k = 0.3188 0.3188 0.3188 ( 2263 PWs) bands (ev): -13.9670 -13.9670 -13.9669 -13.9669 -10.9963 -10.9963 -10.9771 -10.9771 -10.9763 -10.9763 -2.3105 -2.3105 -2.2847 -2.2847 -0.4542 -0.4542 -0.1398 -0.1398 -0.0806 -0.0806 0.5343 0.5343 4.6132 4.6132 7.5933 7.5933 8.7945 8.7945 9.1336 9.1336 12.1517 12.1517 12.9990 12.9990 14.9978 14.9978 k = 0.3261 0.3261 0.3261 ( 2272 PWs) bands (ev): -13.9668 -13.9668 -13.9667 -13.9667 -10.9969 -10.9969 -10.9764 -10.9764 -10.9757 -10.9757 -2.3098 -2.3098 -2.2848 -2.2848 -0.4406 -0.4406 -0.1391 -0.1391 -0.0787 -0.0787 0.5649 0.5649 4.6626 4.6626 7.5808 7.5808 8.7923 8.7923 9.0304 9.0304 12.0178 12.0178 12.8567 12.8567 14.8118 14.8118 k = 0.3333 0.3333 0.3333 ( 2266 PWs) bands (ev): -13.9667 -13.9667 -13.9665 -13.9665 -10.9974 -10.9974 -10.9757 -10.9757 -10.9750 -10.9750 -2.3090 -2.3090 -2.2849 -2.2849 -0.4276 -0.4276 -0.1381 -0.1381 -0.0768 -0.0768 0.5932 0.5932 4.7166 4.7166 7.5689 7.5689 8.7929 8.7929 8.9352 8.9352 11.8863 11.8863 12.7169 12.7169 14.6132 14.6132 k = 0.3406 0.3406 0.3406 ( 2278 PWs) bands (ev): -13.9665 -13.9665 -13.9663 -13.9663 -10.9980 -10.9980 -10.9751 -10.9751 -10.9744 -10.9744 -2.3081 -2.3081 -2.2850 -2.2850 -0.4151 -0.4151 -0.1368 -0.1368 -0.0750 -0.0750 0.6191 0.6191 4.7750 4.7750 7.5574 7.5574 8.7964 8.7964 8.8485 8.8485 11.7575 11.7575 12.5798 12.5798 14.4053 14.4053 k = 0.3478 0.3478 0.3478 ( 2275 PWs) bands (ev): -13.9663 -13.9663 -13.9662 -13.9662 -10.9985 -10.9985 -10.9745 -10.9745 -10.9738 -10.9738 -2.3071 -2.3071 -2.2851 -2.2851 -0.4030 -0.4030 -0.1352 -0.1352 -0.0733 -0.0733 0.6424 0.6424 4.8375 4.8375 7.5461 7.5461 8.7708 8.7708 8.8028 8.8028 11.6313 11.6313 12.4455 12.4455 14.1905 14.1905 k = 0.3551 0.3551 0.3551 ( 2275 PWs) bands (ev): -13.9662 -13.9662 -13.9660 -13.9660 -10.9990 -10.9990 -10.9738 -10.9738 -10.9732 -10.9732 -2.3061 -2.3061 -2.2853 -2.2853 -0.3914 -0.3914 -0.1332 -0.1332 -0.0716 -0.0716 0.6630 0.6630 4.9036 4.9036 7.5349 7.5349 8.7026 8.7026 8.8120 8.8120 11.5078 11.5078 12.3141 12.3141 13.9711 13.9711 k = 0.3623 0.3623 0.3623 ( 2275 PWs) bands (ev): -13.9660 -13.9660 -13.9659 -13.9659 -10.9995 -10.9995 -10.9732 -10.9732 -10.9726 -10.9726 -2.3050 -2.3050 -2.2854 -2.2854 -0.3802 -0.3802 -0.1309 -0.1309 -0.0700 -0.0700 0.6810 0.6810 4.9727 4.9727 7.5238 7.5238 8.6444 8.6444 8.8239 8.8239 11.3872 11.3872 12.1856 12.1856 13.7487 13.7487 k = 0.3696 0.3696 0.3696 ( 2278 PWs) bands (ev): -13.9659 -13.9659 -13.9657 -13.9657 -11.0000 -11.0000 -10.9726 -10.9726 -10.9721 -10.9721 -2.3038 -2.3038 -2.2856 -2.2856 -0.3694 -0.3694 -0.1282 -0.1282 -0.0686 -0.0686 0.6964 0.6964 5.0444 5.0444 7.5127 7.5127 8.5964 8.5964 8.8384 8.8384 11.2696 11.2696 12.0602 12.0602 13.5247 13.5247 k = 0.3768 0.3768 0.3768 ( 2284 PWs) bands (ev): -13.9657 -13.9657 -13.9656 -13.9656 -11.0004 -11.0004 -10.9721 -10.9721 -10.9716 -10.9716 -2.3025 -2.3025 -2.2857 -2.2857 -0.3591 -0.3591 -0.1251 -0.1251 -0.0672 -0.0672 0.7092 0.7092 5.1179 5.1179 7.5018 7.5018 8.5590 8.5590 8.8556 8.8556 11.1550 11.1550 11.9380 11.9380 13.3004 13.3004 k = 0.3841 0.3841 0.3841 ( 2278 PWs) bands (ev): -13.9656 -13.9656 -13.9655 -13.9655 -11.0008 -11.0008 -10.9715 -10.9715 -10.9711 -10.9711 -2.3013 -2.3013 -2.2859 -2.2859 -0.3492 -0.3492 -0.1216 -0.1216 -0.0659 -0.0659 0.7196 0.7196 5.1923 5.1923 7.4916 7.4916 8.5321 8.5321 8.8752 8.8752 11.0436 11.0436 11.8192 11.8192 13.0769 13.0769 k = 0.3913 0.3913 0.3913 ( 2278 PWs) bands (ev): -13.9655 -13.9655 -13.9653 -13.9653 -11.0012 -11.0012 -10.9710 -10.9710 -10.9706 -10.9706 -2.3000 -2.3000 -2.2861 -2.2861 -0.3398 -0.3398 -0.1177 -0.1177 -0.0646 -0.0646 0.7277 0.7277 5.2670 5.2670 7.4824 7.4824 8.5157 8.5157 8.8971 8.8971 10.9353 10.9353 11.7040 11.7040 12.8551 12.8551 k = 0.3986 0.3986 0.3986 ( 2269 PWs) bands (ev): -13.9653 -13.9653 -13.9652 -13.9652 -11.0016 -11.0016 -10.9705 -10.9705 -10.9702 -10.9702 -2.2987 -2.2987 -2.2862 -2.2862 -0.3310 -0.3310 -0.1134 -0.1134 -0.0635 -0.0635 0.7336 0.7336 5.3408 5.3408 7.4750 7.4750 8.5097 8.5097 8.9212 8.9212 10.8302 10.8302 11.5925 11.5925 12.6359 12.6359 k = 0.4058 0.4058 0.4058 ( 2269 PWs) bands (ev): -13.9652 -13.9652 -13.9651 -13.9651 -11.0019 -11.0019 -10.9701 -10.9701 -10.9697 -10.9697 -2.2975 -2.2975 -2.2864 -2.2864 -0.3227 -0.3227 -0.1087 -0.1087 -0.0624 -0.0624 0.7377 0.7377 5.4127 5.4127 7.4699 7.4699 8.5138 8.5138 8.9473 8.9473 10.7283 10.7283 11.4849 11.4849 12.4203 12.4203 k = 0.4130 0.4130 0.4130 ( 2263 PWs) bands (ev): -13.9651 -13.9651 -13.9650 -13.9650 -11.0023 -11.0023 -10.9696 -10.9696 -10.9693 -10.9693 -2.2962 -2.2962 -2.2866 -2.2866 -0.3150 -0.3150 -0.1038 -0.1038 -0.0615 -0.0615 0.7399 0.7399 5.4819 5.4819 7.4679 7.4679 8.5278 8.5278 8.9750 8.9750 10.6295 10.6295 11.3816 11.3816 12.2093 12.2093 k = 0.4203 0.4203 0.4203 ( 2269 PWs) bands (ev): -13.9650 -13.9650 -13.9649 -13.9649 -11.0026 -11.0026 -10.9692 -10.9692 -10.9690 -10.9690 -2.2950 -2.2950 -2.2867 -2.2867 -0.3079 -0.3079 -0.0986 -0.0986 -0.0606 -0.0606 0.7407 0.7407 5.5473 5.5473 7.4693 7.4693 8.5514 8.5514 9.0042 9.0042 10.5337 10.5337 11.2828 11.2828 12.0040 12.0040 k = 0.4275 0.4275 0.4275 ( 2275 PWs) bands (ev): -13.9649 -13.9649 -13.9648 -13.9648 -11.0028 -11.0028 -10.9689 -10.9689 -10.9686 -10.9686 -2.2939 -2.2939 -2.2869 -2.2869 -0.3015 -0.3015 -0.0931 -0.0931 -0.0598 -0.0598 0.7403 0.7403 5.6079 5.6079 7.4744 7.4744 8.5845 8.5845 9.0345 9.0345 10.4406 10.4406 11.1889 11.1889 11.8055 11.8055 k = 0.4348 0.4348 0.4348 ( 2275 PWs) bands (ev): -13.9648 -13.9648 -13.9647 -13.9647 -11.0031 -11.0031 -10.9685 -10.9685 -10.9683 -10.9683 -2.2928 -2.2928 -2.2870 -2.2870 -0.2957 -0.2957 -0.0877 -0.0877 -0.0591 -0.0591 0.7389 0.7389 5.6631 5.6631 7.4831 7.4831 8.6269 8.6269 9.0654 9.0654 10.3498 10.3498 11.1004 11.1004 11.6156 11.6156 k = 0.4420 0.4420 0.4420 ( 2287 PWs) bands (ev): -13.9647 -13.9647 -13.9647 -13.9647 -11.0033 -11.0033 -10.9682 -10.9682 -10.9681 -10.9681 -2.2918 -2.2918 -2.2872 -2.2872 -0.2906 -0.2906 -0.0822 -0.0822 -0.0584 -0.0584 0.7367 0.7367 5.7124 5.7124 7.4952 7.4952 8.6786 8.6786 9.0964 9.0964 10.2604 10.2604 11.0179 11.0179 11.4359 11.4359 k = 0.4493 0.4493 0.4493 ( 2287 PWs) bands (ev): -13.9647 -13.9647 -13.9646 -13.9646 -11.0035 -11.0035 -10.9679 -10.9679 -10.9678 -10.9678 -2.2909 -2.2909 -2.2873 -2.2873 -0.2861 -0.2861 -0.0769 -0.0769 -0.0578 -0.0578 0.7341 0.7341 5.7552 5.7552 7.5098 7.5098 8.7392 8.7392 9.1269 9.1269 10.1716 10.1716 10.9419 10.9419 11.2687 11.2687 k = 0.4565 0.4565 0.4565 ( 2287 PWs) bands (ev): -13.9646 -13.9646 -13.9646 -13.9646 -11.0037 -11.0037 -10.9677 -10.9677 -10.9676 -10.9676 -2.2901 -2.2901 -2.2874 -2.2874 -0.2823 -0.2823 -0.0720 -0.0720 -0.0574 -0.0574 0.7312 0.7312 5.7916 5.7916 7.5259 7.5259 8.8085 8.8085 9.1561 9.1561 10.0823 10.0823 10.8732 10.8732 11.1167 11.1167 k = 0.4638 0.4638 0.4638 ( 2281 PWs) bands (ev): -13.9645 -13.9645 -13.9645 -13.9645 -11.0038 -11.0038 -10.9675 -10.9675 -10.9674 -10.9674 -2.2894 -2.2894 -2.2875 -2.2875 -0.2791 -0.2791 -0.0675 -0.0675 -0.0569 -0.0569 0.7283 0.7283 5.8217 5.8217 7.5425 7.5425 8.8858 8.8858 9.1832 9.1832 9.9911 9.9911 10.8126 10.8126 10.9828 10.9828 k = 0.4710 0.4710 0.4710 ( 2278 PWs) bands (ev): -13.9645 -13.9645 -13.9645 -13.9645 -11.0039 -11.0039 -10.9673 -10.9673 -10.9673 -10.9673 -2.2888 -2.2888 -2.2876 -2.2876 -0.2765 -0.2765 -0.0635 -0.0635 -0.0566 -0.0566 0.7256 0.7256 5.8457 5.8457 7.5582 7.5582 8.9699 8.9699 9.2074 9.2074 9.8975 9.8975 10.7611 10.7611 10.8699 10.8699 k = 0.4783 0.4783 0.4783 ( 2278 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0040 -11.0040 -10.9672 -10.9672 -10.9672 -10.9672 -2.2883 -2.2883 -2.2876 -2.2876 -0.2745 -0.2745 -0.0603 -0.0603 -0.0564 -0.0564 0.7233 0.7233 5.8639 5.8639 7.5718 7.5718 9.0584 9.0584 9.2275 9.2275 9.8022 9.8022 10.7197 10.7197 10.7804 10.7805 k = 0.4855 0.4855 0.4855 ( 2272 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0041 -11.0041 -10.9671 -10.9671 -10.9671 -10.9671 -2.2880 -2.2880 -2.2877 -2.2877 -0.2731 -0.2731 -0.0580 -0.0580 -0.0562 -0.0562 0.7215 0.7215 5.8766 5.8766 7.5824 7.5824 9.1465 9.1465 9.2428 9.2428 9.7094 9.7094 10.6892 10.6892 10.7160 10.7160 k = 0.4928 0.4928 0.4928 ( 2272 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0041 -11.0041 -10.9670 -10.9670 -10.9670 -10.9670 -2.2878 -2.2878 -2.2877 -2.2877 -0.2722 -0.2722 -0.0565 -0.0565 -0.0561 -0.0561 0.7204 0.7204 5.8841 5.8841 7.5891 7.5891 9.2219 9.2219 9.2523 9.2523 9.6310 9.6310 10.6706 10.6706 10.6772 10.6772 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0041 -11.0041 -10.9670 -10.9670 -10.9670 -10.9670 -2.2877 -2.2877 -2.2877 -2.2877 -0.2719 -0.2719 -0.0560 -0.0560 -0.0560 -0.0560 0.7200 0.7200 5.8865 5.8865 7.5913 7.5913 9.2555 9.2555 9.2555 9.2555 9.5964 9.5964 10.6643 10.6643 10.6643 10.6643 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0041 -11.0041 -10.9670 -10.9670 -10.9670 -10.9670 -2.2877 -2.2877 -2.2877 -2.2877 -0.2719 -0.2719 -0.0560 -0.0560 -0.0560 -0.0560 0.7200 0.7200 5.8865 5.8865 7.5913 7.5913 9.2555 9.2555 9.2555 9.2555 9.5964 9.5964 10.6643 10.6643 10.6643 10.6643 k = 0.4911 0.5000 0.4911 ( 2272 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0041 -11.0041 -10.9670 -10.9670 -10.9670 -10.9670 -2.2878 -2.2878 -2.2877 -2.2877 -0.2722 -0.2722 -0.0565 -0.0565 -0.0561 -0.0561 0.7204 0.7204 5.8840 5.8840 7.5890 7.5890 9.2211 9.2211 9.2527 9.2527 9.6314 9.6314 10.6712 10.6712 10.6769 10.6769 k = 0.4821 0.5000 0.4821 ( 2272 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0041 -11.0041 -10.9671 -10.9671 -10.9670 -10.9670 -2.2880 -2.2880 -2.2877 -2.2877 -0.2731 -0.2731 -0.0579 -0.0579 -0.0562 -0.0562 0.7215 0.7215 5.8765 5.8765 7.5822 7.5822 9.1433 9.1433 9.2448 9.2448 9.7106 9.7106 10.6920 10.6920 10.7141 10.7141 k = 0.4732 0.5000 0.4732 ( 2278 PWs) bands (ev): -13.9645 -13.9645 -13.9644 -13.9644 -11.0040 -11.0040 -10.9673 -10.9673 -10.9671 -10.9671 -2.2883 -2.2883 -2.2876 -2.2876 -0.2745 -0.2745 -0.0602 -0.0602 -0.0565 -0.0565 0.7233 0.7233 5.8638 5.8638 7.5713 7.5713 9.0512 9.0512 9.2331 9.2331 9.8041 9.8041 10.7275 10.7275 10.7744 10.7744 k = 0.4643 0.5000 0.4643 ( 2282 PWs) bands (ev): -13.9645 -13.9645 -13.9644 -13.9644 -11.0039 -11.0039 -10.9674 -10.9674 -10.9671 -10.9671 -2.2888 -2.2888 -2.2875 -2.2875 -0.2766 -0.2766 -0.0633 -0.0633 -0.0569 -0.0569 0.7257 0.7257 5.8458 5.8458 7.5567 7.5567 8.9564 8.9564 9.2196 9.2196 9.8990 9.8990 10.7789 10.7789 10.8557 10.8557 k = 0.4554 0.5000 0.4554 ( 2284 PWs) bands (ev): -13.9646 -13.9646 -13.9644 -13.9644 -11.0038 -11.0038 -10.9677 -10.9677 -10.9672 -10.9672 -2.2894 -2.2894 -2.2874 -2.2874 -0.2792 -0.2792 -0.0671 -0.0671 -0.0574 -0.0574 0.7286 0.7286 5.8222 5.8222 7.5393 7.5393 8.8635 8.8635 9.2060 9.2060 9.9895 9.9895 10.8469 10.8469 10.9558 10.9558 k = 0.4464 0.5000 0.4464 ( 2284 PWs) bands (ev): -13.9647 -13.9647 -13.9645 -13.9645 -11.0037 -11.0037 -10.9680 -10.9680 -10.9673 -10.9673 -2.2902 -2.2902 -2.2873 -2.2873 -0.2826 -0.2826 -0.0714 -0.0714 -0.0580 -0.0580 0.7317 0.7317 5.7930 5.7930 7.5200 7.5200 8.7747 8.7747 9.1942 9.1942 10.0730 10.0730 10.9319 10.9319 11.0725 11.0725 k = 0.4375 0.5000 0.4375 ( 2284 PWs) bands (ev): -13.9648 -13.9648 -13.9645 -13.9645 -11.0035 -11.0035 -10.9683 -10.9683 -10.9674 -10.9674 -2.2910 -2.2910 -2.2872 -2.2872 -0.2866 -0.2866 -0.0761 -0.0761 -0.0588 -0.0588 0.7350 0.7350 5.7579 5.7579 7.4997 7.4997 8.6912 8.6912 9.1853 9.1853 10.1487 10.1487 11.0331 11.0331 11.2039 11.2039 k = 0.4286 0.5000 0.4286 ( 2280 PWs) bands (ev): -13.9649 -13.9649 -13.9645 -13.9645 -11.0033 -11.0033 -10.9687 -10.9687 -10.9676 -10.9676 -2.2920 -2.2920 -2.2871 -2.2871 -0.2913 -0.2913 -0.0810 -0.0810 -0.0596 -0.0596 0.7382 0.7382 5.7167 5.7167 7.4794 7.4794 8.6140 8.6140 9.1803 9.1803 10.2176 10.2176 11.1487 11.1487 11.3482 11.3482 k = 0.4196 0.5000 0.4196 ( 2276 PWs) bands (ev): -13.9650 -13.9650 -13.9645 -13.9645 -11.0031 -11.0031 -10.9692 -10.9692 -10.9677 -10.9677 -2.2930 -2.2930 -2.2869 -2.2869 -0.2967 -0.2967 -0.0860 -0.0860 -0.0605 -0.0605 0.7411 0.7411 5.6696 5.6696 7.4602 7.4602 8.5434 8.5434 9.1798 9.1798 10.2810 10.2810 11.2768 11.2768 11.5037 11.5037 k = 0.4107 0.5000 0.4107 ( 2280 PWs) bands (ev): -13.9652 -13.9652 -13.9646 -13.9646 -11.0028 -11.0028 -10.9696 -10.9696 -10.9679 -10.9679 -2.2942 -2.2942 -2.2868 -2.2868 -0.3029 -0.3029 -0.0910 -0.0910 -0.0615 -0.0615 0.7436 0.7436 5.6165 5.6165 7.4428 7.4428 8.4800 8.4800 9.1839 9.1839 10.3407 10.3407 11.4152 11.4152 11.6691 11.6691 k = 0.4018 0.5000 0.4018 ( 2276 PWs) bands (ev): -13.9653 -13.9653 -13.9646 -13.9646 -11.0026 -11.0026 -10.9702 -10.9702 -10.9680 -10.9680 -2.2954 -2.2954 -2.2866 -2.2866 -0.3098 -0.3098 -0.0958 -0.0958 -0.0627 -0.0627 0.7454 0.7454 5.5577 5.5577 7.4280 7.4280 8.4241 8.4241 9.1929 9.1929 10.3982 10.3982 11.5622 11.5622 11.8432 11.8432 k = 0.3929 0.5000 0.3929 ( 2276 PWs) bands (ev): -13.9655 -13.9655 -13.9646 -13.9646 -11.0023 -11.0023 -10.9708 -10.9708 -10.9682 -10.9682 -2.2967 -2.2967 -2.2864 -2.2864 -0.3174 -0.3174 -0.1003 -0.1003 -0.0639 -0.0639 0.7463 0.7463 5.4936 5.4936 7.4162 7.4162 8.3759 8.3759 9.2067 9.2067 10.4549 10.4549 11.7161 11.7161 12.0248 12.0248 k = 0.3839 0.5000 0.3839 ( 2284 PWs) bands (ev): -13.9656 -13.9656 -13.9647 -13.9647 -11.0020 -11.0020 -10.9714 -10.9714 -10.9684 -10.9684 -2.2980 -2.2980 -2.2863 -2.2863 -0.3257 -0.3257 -0.1044 -0.1044 -0.0652 -0.0652 0.7463 0.7463 5.4245 5.4245 7.4079 7.4079 8.3355 8.3355 9.2252 9.2252 10.5116 10.5116 11.8759 11.8759 12.2131 12.2131 k = 0.3750 0.5000 0.3750 ( 2276 PWs) bands (ev): -13.9658 -13.9658 -13.9647 -13.9647 -11.0016 -11.0016 -10.9720 -10.9720 -10.9686 -10.9686 -2.2994 -2.2994 -2.2861 -2.2861 -0.3346 -0.3346 -0.1082 -0.1082 -0.0666 -0.0666 0.7450 0.7450 5.3511 5.3511 7.4033 7.4033 8.3033 8.3033 9.2483 9.2483 10.5693 10.5693 12.0406 12.0406 12.4071 12.4071 k = 0.3661 0.5000 0.3661 ( 2280 PWs) bands (ev): -13.9660 -13.9660 -13.9648 -13.9648 -11.0013 -11.0013 -10.9727 -10.9727 -10.9689 -10.9689 -2.3008 -2.3008 -2.2860 -2.2860 -0.3441 -0.3441 -0.1115 -0.1115 -0.0682 -0.0682 0.7423 0.7423 5.2739 5.2739 7.4025 7.4025 8.2792 8.2792 9.2757 9.2757 10.6282 10.6282 12.2093 12.2093 12.6062 12.6062 k = 0.3571 0.5000 0.3571 ( 2284 PWs) bands (ev): -13.9662 -13.9662 -13.9648 -13.9648 -11.0009 -11.0009 -10.9734 -10.9734 -10.9691 -10.9691 -2.3021 -2.3021 -2.2859 -2.2859 -0.3540 -0.3540 -0.1144 -0.1144 -0.0698 -0.0698 0.7382 0.7382 5.1935 5.1935 7.4056 7.4056 8.2632 8.2632 9.3074 9.3074 10.6890 10.6890 12.3814 12.3814 12.8096 12.8096 k = 0.3482 0.5000 0.3482 ( 2276 PWs) bands (ev): -13.9665 -13.9665 -13.9649 -13.9649 -11.0005 -11.0005 -10.9742 -10.9742 -10.9693 -10.9693 -2.3035 -2.3035 -2.2858 -2.2858 -0.3642 -0.3642 -0.1169 -0.1169 -0.0715 -0.0715 0.7324 0.7324 5.1106 5.1106 7.4126 7.4126 8.2554 8.2554 9.3431 9.3431 10.7517 10.7517 12.5563 12.5563 13.0169 13.0169 k = 0.3393 0.5000 0.3393 ( 2274 PWs) bands (ev): -13.9667 -13.9667 -13.9649 -13.9649 -11.0001 -11.0001 -10.9749 -10.9749 -10.9696 -10.9696 -2.3048 -2.3048 -2.2857 -2.2857 -0.3748 -0.3748 -0.1189 -0.1189 -0.0733 -0.0733 0.7250 0.7250 5.0258 5.0258 7.4236 7.4236 8.2556 8.2556 9.3826 9.3826 10.8167 10.8167 12.7333 12.7333 13.2273 13.2273 k = 0.3304 0.5000 0.3304 ( 2274 PWs) bands (ev): -13.9669 -13.9669 -13.9649 -13.9649 -10.9997 -10.9997 -10.9757 -10.9757 -10.9699 -10.9699 -2.3061 -2.3061 -2.2856 -2.2856 -0.3855 -0.3855 -0.1206 -0.1206 -0.0751 -0.0751 0.7158 0.7158 4.9395 4.9395 7.4386 7.4386 8.2637 8.2637 9.4258 9.4258 10.8840 10.8840 12.9117 12.9117 13.4405 13.4405 k = 0.3214 0.5000 0.3214 ( 2266 PWs) bands (ev): -13.9672 -13.9672 -13.9650 -13.9650 -10.9993 -10.9993 -10.9765 -10.9765 -10.9701 -10.9701 -2.3073 -2.3073 -2.2855 -2.2855 -0.3964 -0.3964 -0.1219 -0.1219 -0.0771 -0.0771 0.7047 0.7047 4.8524 4.8524 7.4576 7.4576 8.2794 8.2794 9.4726 9.4726 10.9538 10.9538 13.0908 13.0908 13.6557 13.6557 k = 0.3125 0.5000 0.3125 ( 2270 PWs) bands (ev): -13.9674 -13.9674 -13.9650 -13.9650 -10.9988 -10.9988 -10.9774 -10.9774 -10.9704 -10.9704 -2.3085 -2.3085 -2.2855 -2.2855 -0.4073 -0.4073 -0.1229 -0.1229 -0.0791 -0.0791 0.6918 0.6918 4.7649 4.7649 7.4808 7.4808 8.3025 8.3025 9.5229 9.5229 11.0260 11.0260 13.2700 13.2700 13.8725 13.8725 k = 0.3036 0.5000 0.3036 ( 2266 PWs) bands (ev): -13.9677 -13.9677 -13.9651 -13.9651 -10.9983 -10.9983 -10.9782 -10.9782 -10.9707 -10.9707 -2.3096 -2.3096 -2.2855 -2.2855 -0.4181 -0.4181 -0.1236 -0.1236 -0.0812 -0.0812 0.6771 0.6771 4.6775 4.6775 7.5083 7.5083 8.3326 8.3326 9.5764 9.5764 11.1007 11.1007 13.4482 13.4482 14.0901 14.0901 k = 0.2946 0.5000 0.2946 ( 2266 PWs) bands (ev): -13.9679 -13.9679 -13.9651 -13.9651 -10.9979 -10.9979 -10.9791 -10.9791 -10.9710 -10.9710 -2.3105 -2.3105 -2.2856 -2.2856 -0.4288 -0.4288 -0.1240 -0.1240 -0.0834 -0.0834 0.6605 0.6605 4.5905 4.5905 7.5402 7.5402 8.3695 8.3695 9.6331 9.6331 11.1780 11.1780 13.6246 13.6246 14.3078 14.3078 k = 0.2857 0.5000 0.2857 ( 2262 PWs) bands (ev): -13.9682 -13.9682 -13.9652 -13.9652 -10.9974 -10.9974 -10.9799 -10.9799 -10.9712 -10.9712 -2.3113 -2.3113 -2.2856 -2.2856 -0.4394 -0.4394 -0.1242 -0.1242 -0.0857 -0.0857 0.6421 0.6421 4.5043 4.5043 7.5765 7.5765 8.4128 8.4128 9.6929 9.6929 11.2577 11.2577 13.7979 13.7979 14.5247 14.5247 k = 0.2768 0.5000 0.2768 ( 2262 PWs) bands (ev): -13.9684 -13.9684 -13.9652 -13.9652 -10.9969 -10.9969 -10.9808 -10.9808 -10.9715 -10.9715 -2.3120 -2.3120 -2.2857 -2.2857 -0.4497 -0.4497 -0.1242 -0.1242 -0.0880 -0.0880 0.6219 0.6219 4.4192 4.4192 7.6174 7.6174 8.4622 8.4622 9.7557 9.7557 11.3398 11.3398 13.9666 13.9666 14.7399 14.7399 k = 0.2679 0.5000 0.2679 ( 2262 PWs) bands (ev): -13.9687 -13.9687 -13.9653 -13.9653 -10.9965 -10.9965 -10.9816 -10.9816 -10.9718 -10.9718 -2.3126 -2.3126 -2.2858 -2.2858 -0.4597 -0.4597 -0.1240 -0.1240 -0.0904 -0.0904 0.6001 0.6001 4.3354 4.3354 7.6629 7.6629 8.5173 8.5173 9.8214 9.8214 11.4243 11.4243 14.1292 14.1292 14.9519 14.9519 k = 0.2589 0.5000 0.2589 ( 2262 PWs) bands (ev): -13.9690 -13.9690 -13.9653 -13.9653 -10.9960 -10.9960 -10.9824 -10.9824 -10.9721 -10.9721 -2.3130 -2.3130 -2.2860 -2.2860 -0.4694 -0.4694 -0.1236 -0.1236 -0.0929 -0.0929 0.5767 0.5767 4.2533 4.2533 7.7132 7.7132 8.5779 8.5779 9.8899 9.8899 11.5111 11.5111 14.2836 14.2836 15.1593 15.1593 k = 0.2500 0.5000 0.2500 ( 2248 PWs) bands (ev): -13.9692 -13.9692 -13.9654 -13.9654 -10.9955 -10.9955 -10.9833 -10.9833 -10.9724 -10.9724 -2.3133 -2.3133 -2.2861 -2.2861 -0.4787 -0.4787 -0.1231 -0.1231 -0.0954 -0.0954 0.5519 0.5519 4.1729 4.1729 7.7681 7.7681 8.6437 8.6437 9.9610 9.9610 11.6001 11.6001 14.4276 14.4276 15.3600 15.3600 k = 0.2411 0.5000 0.2411 ( 2254 PWs) bands (ev): -13.9695 -13.9695 -13.9654 -13.9654 -10.9951 -10.9951 -10.9840 -10.9840 -10.9727 -10.9727 -2.3134 -2.3134 -2.2863 -2.2863 -0.4876 -0.4876 -0.1225 -0.1225 -0.0980 -0.0980 0.5256 0.5256 4.0945 4.0945 7.8277 7.8277 8.7144 8.7144 10.0348 10.0348 11.6912 11.6912 14.5585 14.5585 15.5515 15.5515 k = 0.2321 0.5000 0.2321 ( 2256 PWs) bands (ev): -13.9698 -13.9698 -13.9654 -13.9654 -10.9947 -10.9947 -10.9848 -10.9848 -10.9730 -10.9730 -2.3133 -2.3133 -2.2865 -2.2865 -0.4960 -0.4960 -0.1218 -0.1218 -0.1006 -0.1006 0.4982 0.4982 4.0183 4.0183 7.8919 7.8919 8.7898 8.7898 10.1111 10.1111 11.7844 11.7844 14.6732 14.6732 15.7307 15.7307 k = 0.2232 0.5000 0.2232 ( 2256 PWs) bands (ev): -13.9700 -13.9700 -13.9655 -13.9655 -10.9944 -10.9944 -10.9855 -10.9855 -10.9733 -10.9733 -2.3131 -2.3131 -2.2868 -2.2868 -0.5039 -0.5039 -0.1210 -0.1210 -0.1033 -0.1033 0.4697 0.4697 3.9444 3.9444 7.9607 7.9607 8.8695 8.8695 10.1897 10.1897 11.8794 11.8794 14.7688 14.7688 15.8937 15.8937 k = 0.2143 0.5000 0.2143 ( 2256 PWs) bands (ev): -13.9703 -13.9703 -13.9655 -13.9655 -10.9941 -10.9941 -10.9861 -10.9861 -10.9735 -10.9735 -2.3127 -2.3127 -2.2870 -2.2870 -0.5112 -0.5112 -0.1202 -0.1202 -0.1060 -0.1060 0.4402 0.4402 3.8729 3.8729 8.0339 8.0339 8.9535 8.9535 10.2707 10.2707 11.9761 11.9761 14.8421 14.8421 16.0360 16.0360 k = 0.2054 0.5000 0.2054 ( 2256 PWs) bands (ev): -13.9706 -13.9706 -13.9655 -13.9655 -10.9939 -10.9939 -10.9866 -10.9866 -10.9738 -10.9738 -2.3121 -2.3121 -2.2873 -2.2873 -0.5181 -0.5181 -0.1193 -0.1193 -0.1087 -0.1087 0.4099 0.4099 3.8039 3.8039 8.1115 8.1115 9.0415 9.0415 10.3538 10.3538 12.0743 12.0743 14.8907 14.8907 16.1527 16.1527 k = 0.1964 0.5000 0.1964 ( 2246 PWs) bands (ev): -13.9708 -13.9708 -13.9656 -13.9656 -10.9938 -10.9938 -10.9870 -10.9870 -10.9741 -10.9741 -2.3114 -2.3114 -2.2875 -2.2875 -0.5243 -0.5243 -0.1184 -0.1184 -0.1114 -0.1114 0.3790 0.3790 3.7375 3.7375 8.1931 8.1931 9.1332 9.1332 10.4390 10.4390 12.1738 12.1738 14.9129 14.9129 16.2390 16.2390 k = 0.1875 0.5000 0.1875 ( 2248 PWs) bands (ev): -13.9711 -13.9711 -13.9656 -13.9656 -10.9938 -10.9938 -10.9872 -10.9872 -10.9743 -10.9743 -2.3106 -2.3106 -2.2878 -2.2878 -0.5299 -0.5299 -0.1177 -0.1177 -0.1139 -0.1139 0.3476 0.3476 3.6737 3.6737 8.2787 8.2787 9.2285 9.2285 10.5262 10.5262 12.2744 12.2744 14.9080 14.9080 16.2909 16.2909 k = 0.1786 0.5000 0.1786 ( 2248 PWs) bands (ev): -13.9713 -13.9713 -13.9656 -13.9656 -10.9940 -10.9940 -10.9873 -10.9873 -10.9746 -10.9746 -2.3097 -2.3097 -2.2880 -2.2880 -0.5349 -0.5349 -0.1180 -0.1180 -0.1154 -0.1154 0.3159 0.3159 3.6128 3.6128 8.3680 8.3680 9.3272 9.3272 10.6151 10.6151 12.3757 12.3757 14.8769 14.8769 16.3068 16.3068 k = 0.1696 0.5000 0.1696 ( 2236 PWs) bands (ev): -13.9715 -13.9715 -13.9657 -13.9657 -10.9943 -10.9943 -10.9873 -10.9873 -10.9748 -10.9748 -2.3087 -2.3087 -2.2882 -2.2882 -0.5392 -0.5392 -0.1202 -0.1202 -0.1150 -0.1150 0.2840 0.2840 3.5546 3.5546 8.4608 8.4608 9.4291 9.4291 10.7057 10.7057 12.4773 12.4773 14.8214 14.8214 16.2874 16.2874 k = 0.1607 0.5000 0.1607 ( 2236 PWs) bands (ev): -13.9717 -13.9717 -13.9657 -13.9657 -10.9946 -10.9946 -10.9871 -10.9871 -10.9751 -10.9751 -2.3076 -2.3076 -2.2883 -2.2883 -0.5429 -0.5429 -0.1229 -0.1229 -0.1142 -0.1142 0.2522 0.2522 3.4993 3.4993 8.5567 8.5567 9.5339 9.5339 10.7977 10.7977 12.5789 12.5789 14.7444 14.7444 16.2359 16.2359 k = 0.1518 0.5000 0.1518 ( 2248 PWs) bands (ev): -13.9720 -13.9720 -13.9657 -13.9657 -10.9951 -10.9951 -10.9869 -10.9869 -10.9753 -10.9753 -2.3064 -2.3064 -2.2884 -2.2884 -0.5459 -0.5459 -0.1257 -0.1257 -0.1133 -0.1133 0.2205 0.2205 3.4469 3.4469 8.6554 8.6554 9.6415 9.6415 10.8911 10.8911 12.6797 12.6797 14.6490 14.6490 16.1572 16.1572 k = 0.1429 0.5000 0.1429 ( 2248 PWs) bands (ev): -13.9722 -13.9722 -13.9657 -13.9657 -10.9956 -10.9956 -10.9866 -10.9866 -10.9755 -10.9755 -2.3053 -2.3053 -2.2884 -2.2884 -0.5482 -0.5482 -0.1284 -0.1284 -0.1124 -0.1124 0.1892 0.1892 3.3974 3.3974 8.7565 8.7565 9.7516 9.7516 10.9855 10.9855 12.7791 12.7791 14.5389 14.5389 16.0569 16.0569 k = 0.1339 0.5000 0.1339 ( 2252 PWs) bands (ev): -13.9724 -13.9724 -13.9657 -13.9657 -10.9961 -10.9961 -10.9863 -10.9863 -10.9757 -10.9757 -2.3042 -2.3042 -2.2883 -2.2883 -0.5498 -0.5498 -0.1311 -0.1311 -0.1115 -0.1115 0.1584 0.1584 3.3509 3.3509 8.8595 8.8595 9.8640 9.8640 11.0807 11.0807 12.8759 12.8759 14.4175 14.4175 15.9403 15.9403 k = 0.1250 0.5000 0.1250 ( 2252 PWs) bands (ev): -13.9726 -13.9726 -13.9658 -13.9658 -10.9965 -10.9965 -10.9860 -10.9860 -10.9759 -10.9759 -2.3031 -2.3031 -2.2881 -2.2881 -0.5508 -0.5508 -0.1338 -0.1338 -0.1107 -0.1107 0.1283 0.1283 3.3073 3.3073 8.9640 8.9640 9.9785 9.9785 11.1765 11.1765 12.9686 12.9686 14.2886 14.2886 15.8123 15.8123 k = 0.1161 0.5000 0.1161 ( 2260 PWs) bands (ev): -13.9727 -13.9727 -13.9658 -13.9658 -10.9970 -10.9970 -10.9857 -10.9857 -10.9761 -10.9761 -2.3022 -2.3022 -2.2877 -2.2877 -0.5510 -0.5510 -0.1365 -0.1365 -0.1100 -0.1100 0.0990 0.0990 3.2667 3.2667 9.0693 9.0693 10.0947 10.0947 11.2726 11.2726 13.0549 13.0549 14.1560 14.1560 15.6772 15.6772 k = 0.1071 0.5000 0.1071 ( 2260 PWs) bands (ev): -13.9729 -13.9729 -13.9658 -13.9658 -10.9975 -10.9975 -10.9854 -10.9854 -10.9763 -10.9763 -2.3014 -2.3014 -2.2872 -2.2872 -0.5507 -0.5507 -0.1391 -0.1391 -0.1093 -0.1093 0.0709 0.0709 3.2291 3.2291 9.1747 9.1747 10.2123 10.2123 11.3685 11.3685 13.1310 13.1310 14.0247 14.0247 15.5388 15.5388 k = 0.0982 0.5000 0.0982 ( 2256 PWs) bands (ev): -13.9730 -13.9730 -13.9658 -13.9658 -10.9979 -10.9979 -10.9851 -10.9851 -10.9764 -10.9764 -2.3008 -2.3008 -2.2865 -2.2865 -0.5497 -0.5497 -0.1418 -0.1418 -0.1088 -0.1088 0.0441 0.0441 3.1946 3.1946 9.2795 9.2795 10.3311 10.3311 11.4638 11.4638 13.1900 13.1900 13.9023 13.9023 15.4005 15.4005 k = 0.0893 0.5000 0.0893 ( 2260 PWs) bands (ev): -13.9732 -13.9732 -13.9658 -13.9658 -10.9984 -10.9984 -10.9848 -10.9848 -10.9766 -10.9766 -2.3003 -2.3003 -2.2856 -2.2856 -0.5482 -0.5482 -0.1445 -0.1445 -0.1084 -0.1084 0.0188 0.0188 3.1630 3.1630 9.3826 9.3826 10.4507 10.4507 11.5580 11.5580 13.2196 13.2196 13.8011 13.8011 15.2656 15.2656 k = 0.0804 0.5000 0.0804 ( 2260 PWs) bands (ev): -13.9733 -13.9733 -13.9658 -13.9658 -10.9987 -10.9987 -10.9845 -10.9845 -10.9767 -10.9767 -2.3000 -2.3000 -2.2847 -2.2847 -0.5462 -0.5462 -0.1472 -0.1472 -0.1081 -0.1081 -0.0047 -0.0047 3.1344 3.1344 9.4830 9.4830 10.5707 10.5707 11.6503 11.6503 13.2039 13.2039 13.7367 13.7367 15.1374 15.1374 k = 0.0714 0.5000 0.0714 ( 2248 PWs) bands (ev): -13.9734 -13.9734 -13.9658 -13.9658 -10.9991 -10.9991 -10.9842 -10.9842 -10.9768 -10.9768 -2.2998 -2.2998 -2.2838 -2.2838 -0.5438 -0.5438 -0.1500 -0.1500 -0.1080 -0.1080 -0.0261 -0.0261 3.1089 3.1089 9.5794 9.5794 10.6907 10.6907 11.7398 11.7398 13.1379 13.1379 13.7133 13.7133 15.0193 15.0193 k = 0.0625 0.5000 0.0625 ( 2252 PWs) bands (ev): -13.9735 -13.9735 -13.9658 -13.9658 -10.9994 -10.9994 -10.9840 -10.9840 -10.9769 -10.9769 -2.2997 -2.2997 -2.2828 -2.2828 -0.5411 -0.5411 -0.1530 -0.1530 -0.1083 -0.1083 -0.0450 -0.0450 3.0864 3.0864 9.6703 9.6703 10.8099 10.8099 11.8250 11.8250 13.0371 13.0371 13.7149 13.7149 14.9150 14.9150 k = 0.0536 0.5000 0.0536 ( 2260 PWs) bands (ev): -13.9736 -13.9736 -13.9658 -13.9658 -10.9997 -10.9997 -10.9838 -10.9838 -10.9770 -10.9770 -2.2996 -2.2996 -2.2819 -2.2819 -0.5383 -0.5383 -0.1562 -0.1562 -0.1091 -0.1091 -0.0609 -0.0609 3.0669 3.0669 9.7542 9.7542 10.9277 10.9277 11.9040 11.9040 12.9207 12.9207 13.7222 13.7222 14.8277 14.8277 k = 0.0446 0.5000 0.0446 ( 2256 PWs) bands (ev): -13.9737 -13.9737 -13.9658 -13.9658 -10.9999 -10.9999 -10.9836 -10.9836 -10.9771 -10.9771 -2.2996 -2.2996 -2.2810 -2.2810 -0.5355 -0.5355 -0.1596 -0.1596 -0.1105 -0.1105 -0.0735 -0.0735 3.0504 3.0504 9.8294 9.8294 11.0427 11.0427 11.9741 11.9741 12.8021 12.8021 13.7240 13.7240 14.7598 14.7598 k = 0.0357 0.5000 0.0357 ( 2256 PWs) bands (ev): -13.9738 -13.9738 -13.9658 -13.9658 -11.0001 -11.0001 -10.9835 -10.9835 -10.9772 -10.9772 -2.2996 -2.2996 -2.2803 -2.2803 -0.5328 -0.5328 -0.1632 -0.1632 -0.1127 -0.1127 -0.0823 -0.0823 3.0369 3.0369 9.8941 9.8941 11.1528 11.1528 12.0310 12.0310 12.6912 12.6912 13.7165 13.7165 14.7115 14.7115 k = 0.0268 0.5000 0.0268 ( 2256 PWs) bands (ev): -13.9738 -13.9738 -13.9658 -13.9658 -11.0003 -11.0003 -10.9834 -10.9834 -10.9772 -10.9772 -2.2996 -2.2996 -2.2797 -2.2797 -0.5305 -0.5305 -0.1667 -0.1667 -0.1154 -0.1154 -0.0878 -0.0878 3.0264 3.0264 9.9465 9.9465 11.2543 11.2543 12.0694 12.0694 12.5976 12.5976 13.7015 13.7015 14.6806 14.6806 k = 0.0179 0.5000 0.0179 ( 2256 PWs) bands (ev): -13.9739 -13.9739 -13.9659 -13.9659 -11.0004 -11.0004 -10.9833 -10.9833 -10.9773 -10.9773 -2.2996 -2.2996 -2.2793 -2.2793 -0.5288 -0.5288 -0.1697 -0.1697 -0.1180 -0.1180 -0.0909 -0.0909 3.0189 3.0189 9.9852 9.9852 11.3408 11.3408 12.0852 12.0852 12.5306 12.5306 13.6842 13.6842 14.6631 14.6631 k = 0.0089 0.5000 0.0089 ( 2256 PWs) bands (ev): -13.9739 -13.9739 -13.9659 -13.9659 -11.0004 -11.0004 -10.9833 -10.9833 -10.9773 -10.9773 -2.2996 -2.2996 -2.2790 -2.2790 -0.5276 -0.5276 -0.1717 -0.1717 -0.1197 -0.1197 -0.0923 -0.0923 3.0144 3.0144 10.0090 10.0090 11.4017 11.4017 12.0834 12.0834 12.4939 12.4939 13.6705 13.6705 14.6546 14.6546 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -13.9739 -13.9739 -13.9658 -13.9658 -11.0005 -11.0005 -10.9832 -10.9832 -10.9773 -10.9773 -2.2996 -2.2996 -2.2789 -2.2789 -0.5273 -0.5273 -0.1724 -0.1724 -0.1203 -0.1203 -0.0928 -0.0928 3.0129 3.0129 10.0170 10.0170 11.4241 11.4241 12.0795 12.0795 12.4830 12.4830 13.6654 13.6654 14.6522 14.6522 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -13.9714 -13.9714 -13.9637 -13.9637 -10.9967 -10.9967 -10.9900 -10.9900 -10.9659 -10.9659 -2.3452 -2.3452 -2.2830 -2.2830 -0.5712 -0.5712 -0.1272 -0.1272 -0.0432 -0.0432 0.8665 0.8665 4.8890 4.8890 6.1243 6.1243 6.6485 6.6485 11.9272 11.9272 14.7495 14.7495 15.6919 15.6919 16.1734 16.1734 k = 0.5000 0.5000 0.0125 ( 2216 PWs) bands (ev): -13.9714 -13.9714 -13.9637 -13.9637 -10.9967 -10.9967 -10.9899 -10.9899 -10.9659 -10.9659 -2.3451 -2.3451 -2.2830 -2.2830 -0.5707 -0.5707 -0.1271 -0.1271 -0.0434 -0.0434 0.8664 0.8664 4.8901 4.8901 6.1261 6.1261 6.6505 6.6505 11.9187 11.9187 14.7362 14.7362 15.6770 15.6770 16.1540 16.1540 k = 0.5000 0.5000 0.0250 ( 2232 PWs) bands (ev): -13.9713 -13.9713 -13.9637 -13.9637 -10.9968 -10.9968 -10.9898 -10.9898 -10.9659 -10.9659 -2.3448 -2.3448 -2.2830 -2.2830 -0.5694 -0.5694 -0.1269 -0.1269 -0.0438 -0.0438 0.8659 0.8659 4.8932 4.8932 6.1314 6.1314 6.6564 6.6564 11.8932 11.8932 14.6967 14.6967 15.6333 15.6333 16.0975 16.0975 k = 0.5000 0.5000 0.0375 ( 2240 PWs) bands (ev): -13.9713 -13.9713 -13.9637 -13.9637 -10.9968 -10.9968 -10.9897 -10.9897 -10.9659 -10.9659 -2.3443 -2.3443 -2.2830 -2.2830 -0.5672 -0.5672 -0.1264 -0.1264 -0.0446 -0.0446 0.8652 0.8652 4.8984 4.8984 6.1403 6.1403 6.6662 6.6662 11.8515 11.8515 14.6326 14.6326 15.5635 15.5635 16.0085 16.0085 k = 0.5000 0.5000 0.0500 ( 2240 PWs) bands (ev): -13.9712 -13.9712 -13.9638 -13.9638 -10.9969 -10.9969 -10.9894 -10.9894 -10.9659 -10.9659 -2.3436 -2.3436 -2.2830 -2.2830 -0.5642 -0.5642 -0.1257 -0.1257 -0.0457 -0.0457 0.8642 0.8642 4.9057 4.9057 6.1526 6.1526 6.6799 6.6799 11.7949 11.7949 14.5465 14.5465 15.4713 15.4713 15.8930 15.8930 k = 0.5000 0.5000 0.0625 ( 2240 PWs) bands (ev): -13.9711 -13.9711 -13.9638 -13.9638 -10.9970 -10.9970 -10.9891 -10.9891 -10.9659 -10.9659 -2.3427 -2.3427 -2.2830 -2.2830 -0.5603 -0.5603 -0.1249 -0.1249 -0.0470 -0.0470 0.8628 0.8628 4.9150 4.9150 6.1685 6.1685 6.6975 6.6975 11.7248 11.7248 14.4412 14.4412 15.3604 15.3604 15.7568 15.7568 k = 0.5000 0.5000 0.0750 ( 2252 PWs) bands (ev): -13.9710 -13.9710 -13.9638 -13.9638 -10.9971 -10.9971 -10.9887 -10.9887 -10.9660 -10.9660 -2.3416 -2.3416 -2.2830 -2.2830 -0.5555 -0.5555 -0.1239 -0.1239 -0.0487 -0.0487 0.8612 0.8612 4.9264 4.9264 6.1878 6.1878 6.7190 6.7190 11.6428 11.6428 14.3196 14.3196 15.2345 15.2345 15.6050 15.6050 k = 0.5000 0.5000 0.0875 ( 2252 PWs) bands (ev): -13.9708 -13.9708 -13.9638 -13.9638 -10.9972 -10.9972 -10.9883 -10.9883 -10.9660 -10.9660 -2.3403 -2.3403 -2.2830 -2.2830 -0.5499 -0.5499 -0.1227 -0.1227 -0.0505 -0.0505 0.8593 0.8593 4.9399 4.9399 6.2105 6.2105 6.7444 6.7444 11.5507 11.5507 14.1846 14.1846 15.0967 15.0967 15.4419 15.4419 k = 0.5000 0.5000 0.1000 ( 2260 PWs) bands (ev): -13.9707 -13.9707 -13.9638 -13.9638 -10.9973 -10.9973 -10.9878 -10.9878 -10.9661 -10.9661 -2.3389 -2.3389 -2.2830 -2.2830 -0.5436 -0.5436 -0.1214 -0.1214 -0.0527 -0.0527 0.8571 0.8571 4.9554 4.9554 6.2365 6.2365 6.7736 6.7736 11.4502 11.4502 14.0388 14.0388 14.9494 14.9494 15.2704 15.2704 k = 0.5000 0.5000 0.1125 ( 2256 PWs) bands (ev): -13.9705 -13.9705 -13.9638 -13.9638 -10.9975 -10.9975 -10.9872 -10.9872 -10.9661 -10.9661 -2.3373 -2.3373 -2.2829 -2.2829 -0.5364 -0.5364 -0.1198 -0.1198 -0.0550 -0.0550 0.8547 0.8547 4.9729 4.9729 6.2658 6.2658 6.8066 6.8066 11.3429 11.3429 13.8845 13.8845 14.7948 14.7948 15.0930 15.0930 k = 0.5000 0.5000 0.1250 ( 2248 PWs) bands (ev): -13.9703 -13.9703 -13.9638 -13.9638 -10.9977 -10.9977 -10.9866 -10.9866 -10.9662 -10.9662 -2.3356 -2.3356 -2.2829 -2.2829 -0.5284 -0.5284 -0.1181 -0.1181 -0.0575 -0.0575 0.8519 0.8519 4.9923 4.9923 6.2983 6.2983 6.8434 6.8434 11.2303 11.2303 13.7237 13.7237 14.6347 14.6347 14.9116 14.9116 k = 0.5000 0.5000 0.1375 ( 2264 PWs) bands (ev): -13.9701 -13.9701 -13.9639 -13.9639 -10.9979 -10.9979 -10.9860 -10.9860 -10.9662 -10.9662 -2.3338 -2.3338 -2.2830 -2.2830 -0.5198 -0.5198 -0.1163 -0.1163 -0.0601 -0.0601 0.8489 0.8489 5.0137 5.0137 6.3339 6.3339 6.8839 6.8839 11.1139 11.1139 13.5581 13.5581 14.4705 14.4705 14.7274 14.7274 k = 0.5000 0.5000 0.1500 ( 2268 PWs) bands (ev): -13.9699 -13.9699 -13.9639 -13.9639 -10.9981 -10.9981 -10.9853 -10.9853 -10.9663 -10.9663 -2.3318 -2.3318 -2.2830 -2.2830 -0.5104 -0.5104 -0.1143 -0.1143 -0.0629 -0.0629 0.8456 0.8456 5.0371 5.0371 6.3726 6.3726 6.9282 6.9282 10.9948 10.9948 13.3890 13.3890 14.3033 14.3033 14.5417 14.5417 k = 0.5000 0.5000 0.1625 ( 2268 PWs) bands (ev): -13.9697 -13.9697 -13.9639 -13.9639 -10.9983 -10.9983 -10.9845 -10.9845 -10.9663 -10.9663 -2.3298 -2.3298 -2.2830 -2.2830 -0.5004 -0.5004 -0.1122 -0.1122 -0.0657 -0.0657 0.8420 0.8420 5.0623 5.0623 6.4141 6.4141 6.9761 6.9761 10.8743 10.8743 13.2178 13.2178 14.1341 14.1341 14.3551 14.3551 k = 0.5000 0.5000 0.1750 ( 2268 PWs) bands (ev): -13.9694 -13.9694 -13.9639 -13.9639 -10.9985 -10.9985 -10.9838 -10.9838 -10.9664 -10.9664 -2.3277 -2.3277 -2.2831 -2.2831 -0.4898 -0.4898 -0.1099 -0.1099 -0.0686 -0.0686 0.8381 0.8381 5.0893 5.0893 6.4583 6.4583 7.0277 7.0277 10.7533 10.7533 13.0453 13.0453 13.9636 13.9636 14.1684 14.1684 k = 0.5000 0.5000 0.1875 ( 2268 PWs) bands (ev): -13.9692 -13.9692 -13.9639 -13.9639 -10.9988 -10.9988 -10.9829 -10.9829 -10.9664 -10.9664 -2.3255 -2.3255 -2.2832 -2.2832 -0.4786 -0.4786 -0.1075 -0.1075 -0.0715 -0.0715 0.8340 0.8340 5.1181 5.1181 6.5052 6.5052 7.0828 7.0828 10.6326 10.6326 12.8725 12.8725 13.7926 13.7926 13.9820 13.9820 k = 0.5000 0.5000 0.2000 ( 2276 PWs) bands (ev): -13.9689 -13.9689 -13.9640 -13.9640 -10.9990 -10.9990 -10.9821 -10.9821 -10.9665 -10.9665 -2.3232 -2.3232 -2.2833 -2.2833 -0.4669 -0.4669 -0.1050 -0.1050 -0.0744 -0.0744 0.8296 0.8296 5.1486 5.1486 6.5546 6.5546 7.1415 7.1415 10.5133 10.5133 12.7001 12.7001 13.6216 13.6216 13.7964 13.7964 k = 0.5000 0.5000 0.2125 ( 2268 PWs) bands (ev): -13.9686 -13.9686 -13.9640 -13.9640 -10.9993 -10.9993 -10.9812 -10.9812 -10.9666 -10.9666 -2.3210 -2.3210 -2.2834 -2.2834 -0.4548 -0.4548 -0.1024 -0.1024 -0.0771 -0.0771 0.8250 0.8250 5.1806 5.1806 6.6063 6.6063 7.2037 7.2037 10.3959 10.3959 12.5287 12.5287 13.4510 13.4510 13.6121 13.6121 k = 0.5000 0.5000 0.2250 ( 2276 PWs) bands (ev): -13.9684 -13.9684 -13.9640 -13.9640 -10.9996 -10.9996 -10.9803 -10.9803 -10.9666 -10.9666 -2.3187 -2.3187 -2.2835 -2.2835 -0.4424 -0.4424 -0.0998 -0.0998 -0.0797 -0.0797 0.8202 0.8202 5.2142 5.2142 6.6600 6.6600 7.2694 7.2694 10.2812 10.2812 12.3589 12.3589 13.2813 13.2813 13.4292 13.4292 k = 0.5000 0.5000 0.2375 ( 2284 PWs) bands (ev): -13.9681 -13.9681 -13.9640 -13.9640 -10.9999 -10.9999 -10.9794 -10.9794 -10.9667 -10.9667 -2.3164 -2.3164 -2.2837 -2.2837 -0.4298 -0.4298 -0.0970 -0.0970 -0.0822 -0.0822 0.8151 0.8151 5.2492 5.2492 6.7156 6.7156 7.3384 7.3384 10.1698 10.1698 12.1913 12.1913 13.1128 13.1128 13.2481 13.2481 k = 0.5000 0.5000 0.2500 ( 2284 PWs) bands (ev): -13.9678 -13.9678 -13.9641 -13.9641 -11.0002 -11.0002 -10.9785 -10.9785 -10.9667 -10.9667 -2.3141 -2.3141 -2.2838 -2.2838 -0.4169 -0.4169 -0.0942 -0.0942 -0.0844 -0.0844 0.8099 0.8099 5.2855 5.2855 6.7728 6.7728 7.4108 7.4108 10.0622 10.0622 12.0261 12.0261 12.9460 12.9460 13.0690 13.0690 k = 0.5000 0.5000 0.2625 ( 2284 PWs) bands (ev): -13.9676 -13.9676 -13.9641 -13.9641 -11.0005 -11.0005 -10.9776 -10.9776 -10.9667 -10.9667 -2.3119 -2.3119 -2.2840 -2.2840 -0.4040 -0.4040 -0.0914 -0.0914 -0.0863 -0.0863 0.8044 0.8044 5.3229 5.3229 6.8314 6.8314 7.4864 7.4864 9.9591 9.9591 11.8639 11.8639 12.7811 12.7811 12.8922 12.8922 k = 0.5000 0.5000 0.2750 ( 2292 PWs) bands (ev): -13.9673 -13.9673 -13.9641 -13.9641 -11.0008 -11.0008 -10.9767 -10.9767 -10.9668 -10.9668 -2.3097 -2.3097 -2.2843 -2.2843 -0.3912 -0.3912 -0.0886 -0.0886 -0.0878 -0.0878 0.7988 0.7988 5.3613 5.3613 6.8909 6.8909 7.5652 7.5652 9.8610 9.8610 11.7050 11.7050 12.6184 12.6184 12.7179 12.7179 k = 0.5000 0.5000 0.2875 ( 2292 PWs) bands (ev): -13.9670 -13.9670 -13.9641 -13.9641 -11.0010 -11.0010 -10.9759 -10.9759 -10.9668 -10.9668 -2.3076 -2.3076 -2.2845 -2.2845 -0.3786 -0.3786 -0.0889 -0.0889 -0.0858 -0.0858 0.7931 0.7931 5.4005 5.4005 6.9510 6.9510 7.6471 7.6471 9.7685 9.7685 11.5497 11.5497 12.4582 12.4582 12.5465 12.5465 k = 0.5000 0.5000 0.3000 ( 2292 PWs) bands (ev): -13.9668 -13.9668 -13.9642 -13.9642 -11.0013 -11.0013 -10.9750 -10.9750 -10.9668 -10.9668 -2.3055 -2.3055 -2.2847 -2.2847 -0.3663 -0.3663 -0.0896 -0.0896 -0.0829 -0.0829 0.7872 0.7872 5.4402 5.4402 7.0113 7.0113 7.7321 7.7321 9.6820 9.6820 11.3983 11.3983 12.3009 12.3009 12.3781 12.3781 k = 0.5000 0.5000 0.3125 ( 2284 PWs) bands (ev): -13.9665 -13.9665 -13.9642 -13.9642 -11.0016 -11.0016 -10.9741 -10.9741 -10.9669 -10.9669 -2.3035 -2.3035 -2.2850 -2.2850 -0.3544 -0.3544 -0.0897 -0.0897 -0.0802 -0.0802 0.7813 0.7813 5.4803 5.4803 7.0714 7.0714 7.8200 7.8200 9.6020 9.6020 11.2510 11.2510 12.1468 12.1468 12.2132 12.2132 k = 0.5000 0.5000 0.3250 ( 2284 PWs) bands (ev): -13.9663 -13.9663 -13.9642 -13.9642 -11.0019 -11.0019 -10.9733 -10.9733 -10.9669 -10.9669 -2.3016 -2.3016 -2.2852 -2.2852 -0.3430 -0.3430 -0.0893 -0.0893 -0.0775 -0.0775 0.7753 0.7753 5.5205 5.5205 7.1307 7.1307 7.9108 7.9108 9.5291 9.5291 11.1081 11.1081 11.9962 11.9962 12.0521 12.0521 k = 0.5000 0.5000 0.3375 ( 2280 PWs) bands (ev): -13.9660 -13.9660 -13.9642 -13.9642 -11.0022 -11.0022 -10.9725 -10.9725 -10.9669 -10.9669 -2.2998 -2.2998 -2.2855 -2.2855 -0.3324 -0.3324 -0.0883 -0.0883 -0.0749 -0.0749 0.7694 0.7694 5.5604 5.5604 7.1886 7.1886 8.0043 8.0043 9.4637 9.4637 10.9697 10.9697 11.8495 11.8495 11.8952 11.8952 k = 0.5000 0.5000 0.3500 ( 2280 PWs) bands (ev): -13.9658 -13.9658 -13.9643 -13.9643 -11.0024 -11.0024 -10.9718 -10.9718 -10.9669 -10.9669 -2.2980 -2.2980 -2.2858 -2.2858 -0.3226 -0.3226 -0.0867 -0.0867 -0.0724 -0.0724 0.7635 0.7635 5.5998 5.5998 7.2446 7.2446 8.1005 8.1005 9.4063 9.4063 10.8359 10.8359 11.7072 11.7072 11.7430 11.7430 k = 0.5000 0.5000 0.3625 ( 2280 PWs) bands (ev): -13.9656 -13.9656 -13.9643 -13.9643 -11.0027 -11.0027 -10.9711 -10.9711 -10.9670 -10.9670 -2.2965 -2.2965 -2.2860 -2.2860 -0.3136 -0.3136 -0.0846 -0.0846 -0.0700 -0.0700 0.7577 0.7577 5.6383 5.6383 7.2980 7.2980 8.1991 8.1991 9.3572 9.3572 10.7066 10.7066 11.5698 11.5698 11.5963 11.5963 k = 0.5000 0.5000 0.3750 ( 2280 PWs) bands (ev): -13.9654 -13.9654 -13.9643 -13.9643 -11.0029 -11.0029 -10.9704 -10.9704 -10.9670 -10.9670 -2.2950 -2.2950 -2.2863 -2.2863 -0.3056 -0.3056 -0.0819 -0.0819 -0.0677 -0.0677 0.7521 0.7521 5.6755 5.6755 7.3482 7.3482 8.3000 8.3000 9.3167 9.3167 10.5819 10.5819 11.4379 11.4379 11.4557 11.4557 k = 0.5000 0.5000 0.3875 ( 2288 PWs) bands (ev): -13.9652 -13.9652 -13.9643 -13.9643 -11.0031 -11.0031 -10.9698 -10.9698 -10.9670 -10.9670 -2.2936 -2.2936 -2.2865 -2.2865 -0.2985 -0.2985 -0.0788 -0.0788 -0.0656 -0.0656 0.7467 0.7467 5.7110 5.7110 7.3945 7.3945 8.4030 8.4030 9.2849 9.2849 10.4614 10.4614 11.3122 11.3122 11.3222 11.3222 k = 0.5000 0.5000 0.4000 ( 2284 PWs) bands (ev): -13.9650 -13.9650 -13.9643 -13.9643 -11.0033 -11.0033 -10.9692 -10.9692 -10.9670 -10.9670 -2.2924 -2.2924 -2.2867 -2.2867 -0.2923 -0.2923 -0.0754 -0.0754 -0.0637 -0.0637 0.7417 0.7417 5.7445 5.7445 7.4364 7.4364 8.5079 8.5079 9.2616 9.2616 10.3448 10.3448 11.1935 11.1935 11.1971 11.1971 k = 0.5000 0.5000 0.4125 ( 2292 PWs) bands (ev): -13.9649 -13.9649 -13.9644 -13.9644 -11.0035 -11.0035 -10.9687 -10.9687 -10.9670 -10.9670 -2.2913 -2.2913 -2.2870 -2.2870 -0.2872 -0.2872 -0.0719 -0.0719 -0.0620 -0.0620 0.7370 0.7370 5.7753 5.7753 7.4736 7.4736 8.6143 8.6143 9.2464 9.2464 10.2316 10.2316 11.0815 11.0815 11.0830 11.0830 k = 0.5000 0.5000 0.4250 ( 2292 PWs) bands (ev): -13.9648 -13.9648 -13.9644 -13.9644 -11.0037 -11.0037 -10.9683 -10.9683 -10.9670 -10.9670 -2.2904 -2.2904 -2.2871 -2.2871 -0.2828 -0.2828 -0.0684 -0.0684 -0.0604 -0.0604 0.7327 0.7327 5.8032 5.8032 7.5056 7.5056 8.7218 8.7218 9.2385 9.2385 10.1213 10.1213 10.9770 10.9770 10.9818 10.9818 k = 0.5000 0.5000 0.4375 ( 2284 PWs) bands (ev): -13.9647 -13.9647 -13.9644 -13.9644 -11.0038 -11.0038 -10.9679 -10.9679 -10.9670 -10.9670 -2.2896 -2.2896 -2.2873 -2.2873 -0.2793 -0.2793 -0.0650 -0.0650 -0.0591 -0.0591 0.7290 0.7290 5.8277 5.8277 7.5324 7.5324 8.8297 8.8297 9.2366 9.2366 10.0134 10.0134 10.8852 10.8852 10.8915 10.8915 k = 0.5000 0.5000 0.4500 ( 2284 PWs) bands (ev): -13.9646 -13.9646 -13.9644 -13.9644 -11.0039 -11.0039 -10.9676 -10.9676 -10.9670 -10.9670 -2.2889 -2.2889 -2.2874 -2.2874 -0.2766 -0.2766 -0.0620 -0.0620 -0.0580 -0.0580 0.7259 0.7259 5.8483 5.8483 7.5540 7.5541 8.9371 8.9371 9.2391 9.2391 9.9078 9.9078 10.8077 10.8077 10.8137 10.8137 k = 0.5000 0.5000 0.4625 ( 2272 PWs) bands (ev): -13.9645 -13.9645 -13.9644 -13.9644 -11.0040 -11.0040 -10.9673 -10.9673 -10.9670 -10.9670 -2.2884 -2.2884 -2.2876 -2.2876 -0.2745 -0.2745 -0.0595 -0.0595 -0.0571 -0.0571 0.7233 0.7233 5.8648 5.8648 7.5706 7.5706 9.0419 9.0419 9.2442 9.2442 9.8055 9.8055 10.7458 10.7458 10.7503 10.7503 k = 0.5000 0.5000 0.4750 ( 2272 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0041 -11.0041 -10.9671 -10.9671 -10.9670 -10.9670 -2.2880 -2.2880 -2.2876 -2.2876 -0.2731 -0.2731 -0.0576 -0.0576 -0.0565 -0.0565 0.7215 0.7215 5.8768 5.8768 7.5822 7.5822 9.1400 9.1400 9.2497 9.2497 9.7097 9.7097 10.7008 10.7008 10.7032 10.7032 k = 0.5000 0.5000 0.4875 ( 2272 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0041 -11.0041 -10.9670 -10.9670 -10.9670 -10.9670 -2.2878 -2.2878 -2.2877 -2.2877 -0.2722 -0.2722 -0.0564 -0.0564 -0.0562 -0.0562 0.7204 0.7204 5.8841 5.8841 7.5891 7.5891 9.2205 9.2205 9.2540 9.2540 9.6308 9.6308 10.6735 10.6735 10.6742 10.6742 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -13.9644 -13.9644 -13.9644 -13.9644 -11.0041 -11.0041 -10.9670 -10.9670 -10.9670 -10.9670 -2.2877 -2.2877 -2.2877 -2.2877 -0.2719 -0.2719 -0.0560 -0.0560 -0.0560 -0.0560 0.7200 0.7200 5.8865 5.8865 7.5913 7.5913 9.2555 9.2555 9.2555 9.2555 9.5964 9.5964 10.6643 10.6643 10.6643 10.6643 Writing output data file TlBi.save init_run : 0.23s CPU 0.34s WALL ( 1 calls) electrons : 41.56s CPU 42.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 41.56s CPU 42.69s 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 : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 307 calls) cegterg : 37.93s CPU 38.76s WALL ( 310 calls) Called by sum_band: Called by *egterg: h_psi : 20.28s CPU 20.75s WALL ( 4547 calls) s_psi : 0.89s CPU 0.94s WALL ( 4547 calls) g_psi : 0.09s CPU 0.06s WALL ( 3930 calls) cdiaghg : 15.77s CPU 16.10s WALL ( 4237 calls) cegterg:over : 1.33s CPU 1.45s WALL ( 3930 calls) cegterg:upda : 0.92s CPU 0.95s WALL ( 3930 calls) cegterg:last : 0.68s CPU 0.70s WALL ( 897 calls) cdiaghg:chol : 0.80s CPU 0.84s WALL ( 4237 calls) cdiaghg:inve : 0.39s CPU 0.39s WALL ( 4237 calls) cdiaghg:para : 1.04s CPU 0.98s WALL ( 8474 calls) Called by h_psi: h_psi:vloc : 18.10s CPU 18.44s WALL ( 4547 calls) h_psi:vnl : 2.16s CPU 2.28s WALL ( 4547 calls) add_vuspsi : 1.10s CPU 1.25s WALL ( 4547 calls) General routines calbec : 1.04s CPU 1.02s WALL ( 4547 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 16.55s CPU 16.84s WALL ( 389668 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.10s WALL ( 614 calls) Parallel routines fft_scatter : 8.31s CPU 8.44s WALL ( 389691 calls) PWSCF : 0m50.26s CPU 1m 0.02s WALL This run was terminated on: 14:31:28 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=