Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:18:16 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: ./TlI.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 24 7 713 558 93 Max 30 25 8 716 575 96 Sum 1049 885 277 25725 20341 3407 bravais-lattice index = 14 lattice parameter (alat) = 7.9331 a.u. unit-cell volume = 499.2566 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 211.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.933070 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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) I 7.00 126.90450 I( 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= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0034364 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0034364 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0034364 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0034364 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0034364 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0034364 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0034364 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0034364 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0034364 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0034364 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0034364 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0034364 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0034364 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0034364 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0034364 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0034364 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0034364 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0034364 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034364 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0034364 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0034364 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0034364 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0034364 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0034364 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0034364 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0034364 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0034364 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0034364 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0034364 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0034364 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0034364 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0034364 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0034364 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0034364 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0034364 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0034364 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0034364 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0034364 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0034364 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0034364 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0034364 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0034364 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0034364 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0034364 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0034364 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0034364 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0034364 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0034364 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0034364 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0034364 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0034364 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0034364 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0034364 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0034364 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0034364 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034364 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0034364 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0034364 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034364 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034364 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0034364 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0034364 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034364 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034364 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0034364 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0034364 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034364 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034364 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0034364 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034364 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034364 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0034364 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0034364 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0034364 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0034364 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0034364 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0034364 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0034364 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0034364 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0034364 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0034364 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0034364 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0034364 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0034364 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0034364 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0034364 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0034364 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0034364 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0034364 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0034364 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0034364 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0034364 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0034364 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0034364 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0034364 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0034364 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0034364 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0034364 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0034364 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0034364 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0034364 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0034364 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0034364 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0034364 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0034364 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0034364 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0034364 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0034364 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0034364 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0034364 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0034364 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0034364 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0034364 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0034364 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0034364 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0034364 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0034364 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0034364 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0034364 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0034364 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0034364 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0034364 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0034364 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0034364 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0034364 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 134) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034364 k( 135) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034364 k( 136) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034364 k( 137) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034364 k( 138) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034364 k( 139) = ( 0.0461539 0.0461538 0.0461538), wk = 0.0034364 k( 140) = ( 0.0538462 0.0538461 0.0538461), wk = 0.0034364 k( 141) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034364 k( 142) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034364 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034364 k( 144) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034364 k( 145) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034364 k( 146) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034364 k( 147) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034364 k( 148) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034364 k( 149) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034364 k( 150) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034364 k( 151) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034364 k( 152) = ( 0.1461539 0.1461538 0.1461538), wk = 0.0034364 k( 153) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034364 k( 154) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034364 k( 155) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034364 k( 156) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034364 k( 157) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034364 k( 158) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034364 k( 159) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034364 k( 160) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034364 k( 161) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034364 k( 162) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034364 k( 163) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034364 k( 164) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034364 k( 165) = ( 0.2461539 0.2461538 0.2461538), wk = 0.0034364 k( 166) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034364 k( 167) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034364 k( 168) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034364 k( 169) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034364 k( 170) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034364 k( 171) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034364 k( 172) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034364 k( 173) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034364 k( 174) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034364 k( 175) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034364 k( 176) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034364 k( 177) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034364 k( 178) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034364 k( 179) = ( 0.3538462 0.3538461 0.3538461), wk = 0.0034364 k( 180) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034364 k( 181) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034364 k( 182) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034364 k( 183) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034364 k( 184) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034364 k( 185) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034364 k( 186) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034364 k( 187) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034364 k( 188) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034364 k( 189) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034364 k( 190) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034364 k( 191) = ( 0.4461539 0.4461538 0.4461538), wk = 0.0034364 k( 192) = ( 0.4538462 0.4538461 0.4538461), wk = 0.0034364 k( 193) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034364 k( 194) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034364 k( 195) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034364 k( 196) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034364 k( 197) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034364 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 200) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034364 k( 201) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034364 k( 202) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034364 k( 203) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034364 k( 204) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034364 k( 205) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034364 k( 206) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034364 k( 207) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034364 k( 208) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034364 k( 209) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034364 k( 210) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034364 k( 211) = ( 0.3867925 0.5000000 0.3867924), wk = 0.0034364 k( 212) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034364 k( 213) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034364 k( 214) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034364 k( 215) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034364 k( 216) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034364 k( 217) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034364 k( 218) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034364 k( 219) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034364 k( 220) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034364 k( 221) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034364 k( 222) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034364 k( 223) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034364 k( 224) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034364 k( 225) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034364 k( 226) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034364 k( 227) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034364 k( 228) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034364 k( 229) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034364 k( 230) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034364 k( 231) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034364 k( 232) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034364 k( 233) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034364 k( 234) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034364 k( 235) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034364 k( 236) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034364 k( 237) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034364 k( 238) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034364 k( 239) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034364 k( 240) = ( 0.1132076 0.5000000 0.1132075), wk = 0.0034364 k( 241) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034364 k( 242) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034364 k( 243) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034364 k( 244) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034364 k( 245) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034364 k( 246) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034364 k( 247) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034364 k( 248) = ( 0.0377359 0.5000000 0.0377358), wk = 0.0034364 k( 249) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034364 k( 250) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034364 k( 251) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034364 k( 252) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 253) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 254) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034364 k( 255) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034364 k( 256) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034364 k( 270) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034364 k( 271) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034364 k( 272) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034364 k( 273) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034364 k( 274) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034364 k( 275) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034364 k( 276) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034364 k( 277) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034364 k( 278) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034364 k( 279) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034364 k( 280) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034364 k( 281) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034364 k( 282) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034364 k( 283) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034364 k( 284) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034364 k( 285) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034364 k( 286) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034364 k( 287) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034364 k( 288) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034364 k( 289) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034364 k( 290) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034364 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0034364 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0034364 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0034364 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0034364 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0034364 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0034364 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0034364 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0034364 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0034364 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0034364 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0034364 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0034364 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0034364 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0034364 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0034364 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0034364 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0034364 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0034364 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0034364 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0034364 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0034364 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0034364 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0034364 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0034364 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0034364 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0034364 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0034364 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0034364 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0034364 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0034364 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0034364 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0034364 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0034364 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0034364 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0034364 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0034364 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0034364 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0034364 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0034364 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0034364 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0034364 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0034364 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0034364 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0034364 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0034364 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0034364 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0034364 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0034364 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0034364 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0034364 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0034364 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0034364 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0034364 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0034364 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0034364 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034364 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0034364 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0034364 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0034364 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0034364 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0034364 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0034364 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0034364 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0034364 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0034364 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0034364 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0034364 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0034364 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0034364 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034364 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0034364 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0034364 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0034364 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0034364 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 80) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0034364 k( 81) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0034364 k( 82) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0034364 k( 83) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0034364 k( 84) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0034364 k( 85) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0034364 k( 86) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0034364 k( 87) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0034364 k( 88) = ( 0.4150943 0.4150943 0.0000000), wk = 0.0034364 k( 89) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0034364 k( 90) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0034364 k( 91) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0034364 k( 92) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0034364 k( 93) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0034364 k( 94) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0034364 k( 95) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0034364 k( 96) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0034364 k( 97) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0034364 k( 98) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0034364 k( 99) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0034364 k( 100) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0034364 k( 101) = ( 0.2924528 0.2924528 0.0000000), wk = 0.0034364 k( 102) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0034364 k( 103) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0034364 k( 104) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0034364 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0034364 k( 106) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0034364 k( 107) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0034364 k( 108) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0034364 k( 109) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0034364 k( 110) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0034364 k( 111) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0034364 k( 112) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0034364 k( 113) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0034364 k( 114) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0034364 k( 115) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0034364 k( 116) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0034364 k( 117) = ( 0.1415094 0.1415094 0.0000000), wk = 0.0034364 k( 118) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0034364 k( 119) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0034364 k( 120) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0034364 k( 121) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0034364 k( 122) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0034364 k( 123) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0034364 k( 124) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0034364 k( 125) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0034364 k( 126) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0034364 k( 127) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0034364 k( 128) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0034364 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0034364 k( 130) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0034364 k( 131) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 134) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034364 k( 135) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034364 k( 136) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034364 k( 137) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034364 k( 138) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034364 k( 139) = ( 0.0461539 0.0461539 0.0461539), wk = 0.0034364 k( 140) = ( 0.0538462 0.0538462 0.0538462), wk = 0.0034364 k( 141) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034364 k( 142) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034364 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034364 k( 144) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034364 k( 145) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034364 k( 146) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034364 k( 147) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034364 k( 148) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034364 k( 149) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034364 k( 150) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034364 k( 151) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034364 k( 152) = ( 0.1461539 0.1461539 0.1461539), wk = 0.0034364 k( 153) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034364 k( 154) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034364 k( 155) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034364 k( 156) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034364 k( 157) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034364 k( 158) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034364 k( 159) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034364 k( 160) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034364 k( 161) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034364 k( 162) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034364 k( 163) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034364 k( 164) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034364 k( 165) = ( 0.2461539 0.2461539 0.2461539), wk = 0.0034364 k( 166) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034364 k( 167) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034364 k( 168) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034364 k( 169) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034364 k( 170) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034364 k( 171) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034364 k( 172) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034364 k( 173) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034364 k( 174) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034364 k( 175) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034364 k( 176) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034364 k( 177) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034364 k( 178) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034364 k( 179) = ( 0.3538462 0.3538462 0.3538462), wk = 0.0034364 k( 180) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034364 k( 181) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034364 k( 182) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034364 k( 183) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034364 k( 184) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034364 k( 185) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034364 k( 186) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034364 k( 187) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034364 k( 188) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034364 k( 189) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034364 k( 190) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034364 k( 191) = ( 0.4461539 0.4461539 0.4461539), wk = 0.0034364 k( 192) = ( 0.4538462 0.4538462 0.4538462), wk = 0.0034364 k( 193) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034364 k( 194) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034364 k( 195) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034364 k( 196) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034364 k( 197) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034364 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 200) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034364 k( 201) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034364 k( 202) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034364 k( 203) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034364 k( 204) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034364 k( 205) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034364 k( 206) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034364 k( 207) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034364 k( 208) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034364 k( 209) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034364 k( 210) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034364 k( 211) = ( 0.3867925 0.5000000 0.3867925), wk = 0.0034364 k( 212) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034364 k( 213) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034364 k( 214) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034364 k( 215) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034364 k( 216) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034364 k( 217) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034364 k( 218) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034364 k( 219) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034364 k( 220) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034364 k( 221) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034364 k( 222) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034364 k( 223) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034364 k( 224) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034364 k( 225) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034364 k( 226) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034364 k( 227) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034364 k( 228) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034364 k( 229) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034364 k( 230) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034364 k( 231) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034364 k( 232) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034364 k( 233) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034364 k( 234) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034364 k( 235) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034364 k( 236) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034364 k( 237) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034364 k( 238) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034364 k( 239) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034364 k( 240) = ( 0.1132076 0.5000000 0.1132076), wk = 0.0034364 k( 241) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034364 k( 242) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034364 k( 243) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034364 k( 244) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034364 k( 245) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034364 k( 246) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034364 k( 247) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034364 k( 248) = ( 0.0377359 0.5000000 0.0377359), wk = 0.0034364 k( 249) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034364 k( 250) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034364 k( 251) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034364 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 253) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 254) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034364 k( 255) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034364 k( 256) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034364 k( 270) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034364 k( 271) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034364 k( 272) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034364 k( 273) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034364 k( 274) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034364 k( 275) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034364 k( 276) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034364 k( 277) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034364 k( 278) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034364 k( 279) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034364 k( 280) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034364 k( 281) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0034364 k( 282) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034364 k( 283) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034364 k( 284) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034364 k( 285) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034364 k( 286) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034364 k( 287) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034364 k( 288) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034364 k( 289) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034364 k( 290) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034364 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 Dense grid: 25725 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 20341 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 142, 28) NL pseudopotentials 0.07 Mb ( 71, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 715) G-vector shells 0.00 Mb ( 186) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 142, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 68, 2, 28) The potential is recalculated from file : ./TlI.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.0 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.3 secs Computing kpt #: 13 total cpu time spent up to now is 3.4 secs Computing kpt #: 14 total cpu time spent up to now is 3.5 secs Computing kpt #: 15 total cpu time spent up to now is 3.6 secs Computing kpt #: 16 total cpu time spent up to now is 3.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.2 secs Computing kpt #: 19 total cpu time spent up to now is 4.3 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.6 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.8 secs Computing kpt #: 25 total cpu time spent up to now is 4.9 secs Computing kpt #: 26 total cpu time spent up to now is 5.0 secs Computing kpt #: 27 total cpu time spent up to now is 5.1 secs Computing kpt #: 28 total cpu time spent up to now is 5.3 secs Computing kpt #: 29 total cpu time spent up to now is 5.4 secs Computing kpt #: 30 total cpu time spent up to now is 5.5 secs Computing kpt #: 31 total cpu time spent up to now is 5.6 secs Computing kpt #: 32 total cpu time spent up to now is 5.7 secs Computing kpt #: 33 total cpu time spent up to now is 5.8 secs Computing kpt #: 34 total cpu time spent up to now is 5.9 secs Computing kpt #: 35 total cpu time spent up to now is 6.0 secs Computing kpt #: 36 total cpu time spent up to now is 6.1 secs Computing kpt #: 37 total cpu time spent up to now is 6.3 secs Computing kpt #: 38 total cpu time spent up to now is 6.4 secs Computing kpt #: 39 total cpu time spent up to now is 6.5 secs Computing kpt #: 40 total cpu time spent up to now is 6.6 secs Computing kpt #: 41 total cpu time spent up to now is 6.7 secs Computing kpt #: 42 total cpu time spent up to now is 6.9 secs Computing kpt #: 43 total cpu time spent up to now is 7.0 secs Computing kpt #: 44 total cpu time spent up to now is 7.1 secs Computing kpt #: 45 total cpu time spent up to now is 7.2 secs Computing kpt #: 46 total cpu time spent up to now is 7.3 secs Computing kpt #: 47 total cpu time spent up to now is 7.4 secs Computing kpt #: 48 total cpu time spent up to now is 7.5 secs Computing kpt #: 49 total cpu time spent up to now is 7.7 secs Computing kpt #: 50 total cpu time spent up to now is 7.8 secs Computing kpt #: 51 total cpu time spent up to now is 7.9 secs Computing kpt #: 52 total cpu time spent up to now is 8.0 secs Computing kpt #: 53 total cpu time spent up to now is 8.1 secs Computing kpt #: 54 total cpu time spent up to now is 8.2 secs Computing kpt #: 55 total cpu time spent up to now is 8.4 secs Computing kpt #: 56 total cpu time spent up to now is 8.5 secs Computing kpt #: 57 total cpu time spent up to now is 8.6 secs Computing kpt #: 58 total cpu time spent up to now is 8.7 secs Computing kpt #: 59 total cpu time spent up to now is 8.8 secs Computing kpt #: 60 total cpu time spent up to now is 8.9 secs Computing kpt #: 61 total cpu time spent up to now is 9.0 secs Computing kpt #: 62 total cpu time spent up to now is 9.1 secs Computing kpt #: 63 total cpu time spent up to now is 9.2 secs Computing kpt #: 64 total cpu time spent up to now is 9.3 secs Computing kpt #: 65 total cpu time spent up to now is 9.5 secs Computing kpt #: 66 total cpu time spent up to now is 9.6 secs Computing kpt #: 67 total cpu time spent up to now is 9.7 secs Computing kpt #: 68 total cpu time spent up to now is 9.8 secs Computing kpt #: 69 total cpu time spent up to now is 9.9 secs Computing kpt #: 70 total cpu time spent up to now is 10.0 secs Computing kpt #: 71 total cpu time spent up to now is 10.1 secs Computing kpt #: 72 total cpu time spent up to now is 10.2 secs Computing kpt #: 73 total cpu time spent up to now is 10.3 secs Computing kpt #: 74 total cpu time spent up to now is 10.4 secs Computing kpt #: 75 total cpu time spent up to now is 10.5 secs Computing kpt #: 76 total cpu time spent up to now is 10.6 secs Computing kpt #: 77 total cpu time spent up to now is 10.8 secs Computing kpt #: 78 total cpu time spent up to now is 10.9 secs Computing kpt #: 79 total cpu time spent up to now is 11.0 secs Computing kpt #: 80 total cpu time spent up to now is 11.1 secs Computing kpt #: 81 total cpu time spent up to now is 11.2 secs Computing kpt #: 82 total cpu time spent up to now is 11.3 secs Computing kpt #: 83 total cpu time spent up to now is 11.4 secs Computing kpt #: 84 total cpu time spent up to now is 11.5 secs Computing kpt #: 85 total cpu time spent up to now is 11.6 secs Computing kpt #: 86 total cpu time spent up to now is 11.8 secs Computing kpt #: 87 total cpu time spent up to now is 11.9 secs Computing kpt #: 88 total cpu time spent up to now is 12.0 secs Computing kpt #: 89 total cpu time spent up to now is 12.1 secs Computing kpt #: 90 total cpu time spent up to now is 12.2 secs Computing kpt #: 91 total cpu time spent up to now is 12.3 secs Computing kpt #: 92 total cpu time spent up to now is 12.4 secs Computing kpt #: 93 total cpu time spent up to now is 12.6 secs Computing kpt #: 94 total cpu time spent up to now is 12.7 secs Computing kpt #: 95 total cpu time spent up to now is 12.8 secs Computing kpt #: 96 total cpu time spent up to now is 12.9 secs Computing kpt #: 97 total cpu time spent up to now is 13.0 secs Computing kpt #: 98 total cpu time spent up to now is 13.1 secs Computing kpt #: 99 total cpu time spent up to now is 13.2 secs Computing kpt #: 100 total cpu time spent up to now is 13.3 secs Computing kpt #: 101 total cpu time spent up to now is 13.5 secs Computing kpt #: 102 total cpu time spent up to now is 13.6 secs Computing kpt #: 103 total cpu time spent up to now is 13.7 secs Computing kpt #: 104 total cpu time spent up to now is 13.8 secs Computing kpt #: 105 total cpu time spent up to now is 13.9 secs Computing kpt #: 106 total cpu time spent up to now is 14.0 secs Computing kpt #: 107 total cpu time spent up to now is 14.1 secs Computing kpt #: 108 total cpu time spent up to now is 14.2 secs Computing kpt #: 109 total cpu time spent up to now is 14.3 secs Computing kpt #: 110 total cpu time spent up to now is 14.4 secs Computing kpt #: 111 total cpu time spent up to now is 14.5 secs Computing kpt #: 112 total cpu time spent up to now is 14.6 secs Computing kpt #: 113 total cpu time spent up to now is 14.7 secs Computing kpt #: 114 total cpu time spent up to now is 14.8 secs Computing kpt #: 115 total cpu time spent up to now is 14.9 secs Computing kpt #: 116 total cpu time spent up to now is 15.0 secs Computing kpt #: 117 total cpu time spent up to now is 15.2 secs Computing kpt #: 118 total cpu time spent up to now is 15.3 secs Computing kpt #: 119 total cpu time spent up to now is 15.4 secs Computing kpt #: 120 total cpu time spent up to now is 15.5 secs Computing kpt #: 121 total cpu time spent up to now is 15.6 secs Computing kpt #: 122 total cpu time spent up to now is 15.7 secs Computing kpt #: 123 total cpu time spent up to now is 15.8 secs Computing kpt #: 124 total cpu time spent up to now is 15.9 secs Computing kpt #: 125 total cpu time spent up to now is 16.0 secs Computing kpt #: 126 total cpu time spent up to now is 16.1 secs Computing kpt #: 127 total cpu time spent up to now is 16.2 secs Computing kpt #: 128 total cpu time spent up to now is 16.4 secs Computing kpt #: 129 total cpu time spent up to now is 16.5 secs Computing kpt #: 130 total cpu time spent up to now is 16.6 secs Computing kpt #: 131 total cpu time spent up to now is 16.8 secs Computing kpt #: 132 total cpu time spent up to now is 16.8 secs Computing kpt #: 133 total cpu time spent up to now is 16.9 secs Computing kpt #: 134 total cpu time spent up to now is 17.1 secs Computing kpt #: 135 total cpu time spent up to now is 17.2 secs Computing kpt #: 136 total cpu time spent up to now is 17.3 secs Computing kpt #: 137 total cpu time spent up to now is 17.4 secs Computing kpt #: 138 total cpu time spent up to now is 17.5 secs Computing kpt #: 139 total cpu time spent up to now is 17.6 secs Computing kpt #: 140 total cpu time spent up to now is 17.8 secs Computing kpt #: 141 total cpu time spent up to now is 17.9 secs Computing kpt #: 142 total cpu time spent up to now is 18.0 secs Computing kpt #: 143 total cpu time spent up to now is 18.1 secs Computing kpt #: 144 total cpu time spent up to now is 18.3 secs Computing kpt #: 145 total cpu time spent up to now is 18.4 secs Computing kpt #: 146 total cpu time spent up to now is 18.6 secs Computing kpt #: 147 total cpu time spent up to now is 18.7 secs Computing kpt #: 148 total cpu time spent up to now is 18.9 secs Computing kpt #: 149 total cpu time spent up to now is 19.0 secs Computing kpt #: 150 total cpu time spent up to now is 19.2 secs Computing kpt #: 151 total cpu time spent up to now is 19.3 secs Computing kpt #: 152 total cpu time spent up to now is 19.5 secs Computing kpt #: 153 total cpu time spent up to now is 19.7 secs Computing kpt #: 154 total cpu time spent up to now is 19.9 secs Computing kpt #: 155 total cpu time spent up to now is 20.0 secs Computing kpt #: 156 total cpu time spent up to now is 20.2 secs Computing kpt #: 157 total cpu time spent up to now is 20.4 secs Computing kpt #: 158 total cpu time spent up to now is 20.6 secs Computing kpt #: 159 total cpu time spent up to now is 20.8 secs Computing kpt #: 160 total cpu time spent up to now is 21.0 secs Computing kpt #: 161 total cpu time spent up to now is 21.1 secs Computing kpt #: 162 total cpu time spent up to now is 21.3 secs Computing kpt #: 163 total cpu time spent up to now is 21.5 secs Computing kpt #: 164 total cpu time spent up to now is 21.7 secs Computing kpt #: 165 total cpu time spent up to now is 22.0 secs Computing kpt #: 166 total cpu time spent up to now is 22.2 secs Computing kpt #: 167 total cpu time spent up to now is 22.4 secs Computing kpt #: 168 total cpu time spent up to now is 22.6 secs Computing kpt #: 169 total cpu time spent up to now is 22.8 secs Computing kpt #: 170 total cpu time spent up to now is 22.9 secs Computing kpt #: 171 total cpu time spent up to now is 23.0 secs Computing kpt #: 172 total cpu time spent up to now is 23.2 secs Computing kpt #: 173 total cpu time spent up to now is 23.3 secs Computing kpt #: 174 total cpu time spent up to now is 23.4 secs Computing kpt #: 175 total cpu time spent up to now is 23.5 secs Computing kpt #: 176 total cpu time spent up to now is 23.6 secs Computing kpt #: 177 total cpu time spent up to now is 23.7 secs Computing kpt #: 178 total cpu time spent up to now is 23.9 secs Computing kpt #: 179 total cpu time spent up to now is 24.0 secs Computing kpt #: 180 total cpu time spent up to now is 24.1 secs Computing kpt #: 181 total cpu time spent up to now is 24.2 secs Computing kpt #: 182 total cpu time spent up to now is 24.3 secs Computing kpt #: 183 total cpu time spent up to now is 24.5 secs Computing kpt #: 184 total cpu time spent up to now is 24.6 secs Computing kpt #: 185 total cpu time spent up to now is 24.7 secs Computing kpt #: 186 total cpu time spent up to now is 24.9 secs Computing kpt #: 187 total cpu time spent up to now is 25.0 secs Computing kpt #: 188 total cpu time spent up to now is 25.1 secs Computing kpt #: 189 total cpu time spent up to now is 25.3 secs Computing kpt #: 190 total cpu time spent up to now is 25.4 secs Computing kpt #: 191 total cpu time spent up to now is 25.6 secs Computing kpt #: 192 total cpu time spent up to now is 25.7 secs Computing kpt #: 193 total cpu time spent up to now is 25.8 secs Computing kpt #: 194 total cpu time spent up to now is 26.0 secs Computing kpt #: 195 total cpu time spent up to now is 26.1 secs Computing kpt #: 196 total cpu time spent up to now is 26.2 secs Computing kpt #: 197 total cpu time spent up to now is 26.3 secs Computing kpt #: 198 total cpu time spent up to now is 26.4 secs Computing kpt #: 199 total cpu time spent up to now is 26.5 secs Computing kpt #: 200 total cpu time spent up to now is 26.7 secs Computing kpt #: 201 total cpu time spent up to now is 26.8 secs Computing kpt #: 202 total cpu time spent up to now is 26.9 secs Computing kpt #: 203 total cpu time spent up to now is 27.0 secs Computing kpt #: 204 total cpu time spent up to now is 27.2 secs Computing kpt #: 205 total cpu time spent up to now is 27.3 secs Computing kpt #: 206 total cpu time spent up to now is 27.5 secs Computing kpt #: 207 total cpu time spent up to now is 27.6 secs Computing kpt #: 208 total cpu time spent up to now is 27.8 secs Computing kpt #: 209 total cpu time spent up to now is 27.9 secs Computing kpt #: 210 total cpu time spent up to now is 28.1 secs Computing kpt #: 211 total cpu time spent up to now is 28.2 secs Computing kpt #: 212 total cpu time spent up to now is 28.4 secs Computing kpt #: 213 total cpu time spent up to now is 28.5 secs Computing kpt #: 214 total cpu time spent up to now is 28.6 secs Computing kpt #: 215 total cpu time spent up to now is 28.8 secs Computing kpt #: 216 total cpu time spent up to now is 28.9 secs Computing kpt #: 217 total cpu time spent up to now is 29.0 secs Computing kpt #: 218 total cpu time spent up to now is 29.2 secs Computing kpt #: 219 total cpu time spent up to now is 29.3 secs Computing kpt #: 220 total cpu time spent up to now is 29.4 secs Computing kpt #: 221 total cpu time spent up to now is 29.6 secs Computing kpt #: 222 total cpu time spent up to now is 29.7 secs Computing kpt #: 223 total cpu time spent up to now is 29.9 secs Computing kpt #: 224 total cpu time spent up to now is 30.1 secs Computing kpt #: 225 total cpu time spent up to now is 30.3 secs Computing kpt #: 226 total cpu time spent up to now is 30.4 secs Computing kpt #: 227 total cpu time spent up to now is 30.6 secs Computing kpt #: 228 total cpu time spent up to now is 30.7 secs Computing kpt #: 229 total cpu time spent up to now is 30.9 secs Computing kpt #: 230 total cpu time spent up to now is 31.0 secs Computing kpt #: 231 total cpu time spent up to now is 31.1 secs Computing kpt #: 232 total cpu time spent up to now is 31.2 secs Computing kpt #: 233 total cpu time spent up to now is 31.3 secs Computing kpt #: 234 total cpu time spent up to now is 31.5 secs Computing kpt #: 235 total cpu time spent up to now is 31.6 secs Computing kpt #: 236 total cpu time spent up to now is 31.7 secs Computing kpt #: 237 total cpu time spent up to now is 31.8 secs Computing kpt #: 238 total cpu time spent up to now is 31.9 secs Computing kpt #: 239 total cpu time spent up to now is 32.1 secs Computing kpt #: 240 total cpu time spent up to now is 32.2 secs Computing kpt #: 241 total cpu time spent up to now is 32.3 secs Computing kpt #: 242 total cpu time spent up to now is 32.4 secs Computing kpt #: 243 total cpu time spent up to now is 32.5 secs Computing kpt #: 244 total cpu time spent up to now is 32.6 secs Computing kpt #: 245 total cpu time spent up to now is 32.8 secs Computing kpt #: 246 total cpu time spent up to now is 32.9 secs Computing kpt #: 247 total cpu time spent up to now is 33.0 secs Computing kpt #: 248 total cpu time spent up to now is 33.1 secs Computing kpt #: 249 total cpu time spent up to now is 33.2 secs Computing kpt #: 250 total cpu time spent up to now is 33.3 secs Computing kpt #: 251 total cpu time spent up to now is 33.5 secs Computing kpt #: 252 total cpu time spent up to now is 33.6 secs Computing kpt #: 253 total cpu time spent up to now is 33.7 secs Computing kpt #: 254 total cpu time spent up to now is 33.9 secs Computing kpt #: 255 total cpu time spent up to now is 34.0 secs Computing kpt #: 256 total cpu time spent up to now is 34.1 secs Computing kpt #: 257 total cpu time spent up to now is 34.2 secs Computing kpt #: 258 total cpu time spent up to now is 34.3 secs Computing kpt #: 259 total cpu time spent up to now is 34.4 secs Computing kpt #: 260 total cpu time spent up to now is 34.5 secs Computing kpt #: 261 total cpu time spent up to now is 34.6 secs Computing kpt #: 262 total cpu time spent up to now is 34.7 secs Computing kpt #: 263 total cpu time spent up to now is 34.8 secs Computing kpt #: 264 total cpu time spent up to now is 34.9 secs Computing kpt #: 265 total cpu time spent up to now is 35.0 secs Computing kpt #: 266 total cpu time spent up to now is 35.1 secs Computing kpt #: 267 total cpu time spent up to now is 35.2 secs Computing kpt #: 268 total cpu time spent up to now is 35.3 secs Computing kpt #: 269 total cpu time spent up to now is 35.4 secs Computing kpt #: 270 total cpu time spent up to now is 35.5 secs Computing kpt #: 271 total cpu time spent up to now is 35.6 secs Computing kpt #: 272 total cpu time spent up to now is 35.7 secs Computing kpt #: 273 total cpu time spent up to now is 35.8 secs Computing kpt #: 274 total cpu time spent up to now is 36.0 secs Computing kpt #: 275 total cpu time spent up to now is 36.1 secs Computing kpt #: 276 total cpu time spent up to now is 36.2 secs Computing kpt #: 277 total cpu time spent up to now is 36.3 secs Computing kpt #: 278 total cpu time spent up to now is 36.4 secs Computing kpt #: 279 total cpu time spent up to now is 36.5 secs Computing kpt #: 280 total cpu time spent up to now is 36.6 secs Computing kpt #: 281 total cpu time spent up to now is 36.7 secs Computing kpt #: 282 total cpu time spent up to now is 36.9 secs Computing kpt #: 283 total cpu time spent up to now is 37.0 secs Computing kpt #: 284 total cpu time spent up to now is 37.1 secs Computing kpt #: 285 total cpu time spent up to now is 37.2 secs Computing kpt #: 286 total cpu time spent up to now is 37.4 secs Computing kpt #: 287 total cpu time spent up to now is 37.5 secs Computing kpt #: 288 total cpu time spent up to now is 37.6 secs Computing kpt #: 289 total cpu time spent up to now is 37.7 secs Computing kpt #: 290 total cpu time spent up to now is 37.8 secs Computing kpt #: 291 total cpu time spent up to now is 37.9 secs ethr = 5.00E-08, avg # of iterations = 16.0 total cpu time spent up to now is 37.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -6.5870 -6.5870 -6.2822 -6.2822 -6.2822 -6.2822 -4.1235 -4.1235 -4.1235 -4.1235 -4.0494 -4.0494 0.7669 0.7669 3.4621 3.4621 4.5094 4.5094 4.5094 4.5094 10.1357 10.1357 10.9879 10.9879 10.9879 10.9879 12.3138 12.3138 k = 0.0000 0.0132-0.0000 ( 2517 PWs) bands (ev): -6.5864 -6.5864 -6.2822 -6.2822 -6.2822 -6.2822 -4.1235 -4.1235 -4.1234 -4.1234 -4.0494 -4.0494 0.7649 0.7649 3.4630 3.4630 4.5097 4.5097 4.5103 4.5103 10.1296 10.1296 10.9890 10.9890 10.9931 10.9931 12.3063 12.3063 k = 0.0000 0.0263-0.0000 ( 2525 PWs) bands (ev): -6.5848 -6.5848 -6.2822 -6.2822 -6.2821 -6.2821 -4.1235 -4.1235 -4.1233 -4.1233 -4.0496 -4.0496 0.7590 0.7590 3.4657 3.4657 4.5105 4.5105 4.5130 4.5130 10.1114 10.1114 10.9920 10.9920 11.0081 11.0081 12.2847 12.2847 k = 0.0000 0.0395-0.0000 ( 2525 PWs) bands (ev): -6.5821 -6.5821 -6.2823 -6.2823 -6.2820 -6.2820 -4.1235 -4.1235 -4.1230 -4.1230 -4.0499 -4.0499 0.7491 0.7491 3.4702 3.4702 4.5119 4.5119 4.5175 4.5175 10.0817 10.0817 10.9972 10.9972 11.0313 11.0313 12.2517 12.2517 k = 0.0000 0.0526-0.0000 ( 2525 PWs) bands (ev): -6.5784 -6.5784 -6.2823 -6.2823 -6.2819 -6.2819 -4.1235 -4.1235 -4.1225 -4.1225 -4.0502 -4.0502 0.7353 0.7353 3.4765 3.4765 4.5140 4.5140 4.5238 4.5238 10.0416 10.0416 11.0043 11.0043 11.0599 11.0599 12.2112 12.2113 k = 0.0000 0.0658-0.0000 ( 2525 PWs) bands (ev): -6.5736 -6.5736 -6.2823 -6.2823 -6.2817 -6.2817 -4.1235 -4.1235 -4.1220 -4.1220 -4.0507 -4.0507 0.7178 0.7178 3.4846 3.4846 4.5169 4.5169 4.5319 4.5319 9.9917 9.9917 11.0135 11.0135 11.0903 11.0903 12.1690 12.1690 k = 0.0000 0.0789-0.0000 ( 2533 PWs) bands (ev): -6.5678 -6.5678 -6.2824 -6.2824 -6.2814 -6.2814 -4.1236 -4.1236 -4.1213 -4.1213 -4.0513 -4.0513 0.6967 0.6967 3.4944 3.4944 4.5207 4.5207 4.5417 4.5417 9.9328 9.9328 11.0247 11.0247 11.1173 11.1173 12.1319 12.1319 k = 0.0000 0.0921-0.0000 ( 2537 PWs) bands (ev): -6.5611 -6.5611 -6.2824 -6.2824 -6.2812 -6.2812 -4.1236 -4.1236 -4.1206 -4.1206 -4.0519 -4.0519 0.6720 0.6720 3.5061 3.5061 4.5256 4.5256 4.5532 4.5532 9.8656 9.8656 11.0379 11.0379 11.1349 11.1349 12.1079 12.1079 k = 0.0000 0.1053-0.0000 ( 2537 PWs) bands (ev): -6.5533 -6.5533 -6.2825 -6.2825 -6.2808 -6.2808 -4.1236 -4.1236 -4.1197 -4.1197 -4.0526 -4.0526 0.6441 0.6441 3.5195 3.5195 4.5316 4.5316 4.5663 4.5663 9.7906 9.7906 11.0531 11.0531 11.1370 11.1370 12.0817 12.0817 k = 0.0000 0.1184-0.0000 ( 2545 PWs) bands (ev): -6.5447 -6.5447 -6.2826 -6.2826 -6.2805 -6.2805 -4.1237 -4.1237 -4.1187 -4.1187 -4.0534 -4.0534 0.6130 0.6130 3.5346 3.5346 4.5390 4.5390 4.5809 4.5809 9.7082 9.7082 11.0703 11.0703 11.1192 11.1192 12.0241 12.0241 k = 0.0000 0.1316-0.0000 ( 2545 PWs) bands (ev): -6.5352 -6.5352 -6.2827 -6.2827 -6.2801 -6.2801 -4.1237 -4.1237 -4.1177 -4.1177 -4.0543 -4.0543 0.5789 0.5789 3.5515 3.5515 4.5478 4.5478 4.5971 4.5971 9.6189 9.6189 11.0812 11.0812 11.0894 11.0894 11.9616 11.9616 k = 0.0000 0.1447-0.0000 ( 2545 PWs) bands (ev): -6.5249 -6.5249 -6.2827 -6.2827 -6.2797 -6.2797 -4.1238 -4.1238 -4.1166 -4.1166 -4.0552 -4.0552 0.5423 0.5423 3.5700 3.5700 4.5583 4.5583 4.6148 4.6148 9.5233 9.5233 11.0258 11.0258 11.1104 11.1104 11.8948 11.8948 k = 0.0000 0.1579-0.0000 ( 2545 PWs) bands (ev): -6.5138 -6.5138 -6.2828 -6.2828 -6.2793 -6.2793 -4.1239 -4.1239 -4.1154 -4.1154 -4.0562 -4.0562 0.5032 0.5032 3.5901 3.5901 4.5704 4.5704 4.6338 4.6338 9.4218 9.4218 10.9574 10.9574 11.1333 11.1333 11.8242 11.8242 k = 0.0000 0.1711-0.0000 ( 2541 PWs) bands (ev): -6.5020 -6.5020 -6.2829 -6.2829 -6.2788 -6.2788 -4.1240 -4.1240 -4.1141 -4.1141 -4.0572 -4.0572 0.4620 0.4620 3.6118 3.6118 4.5845 4.5845 4.6540 4.6540 9.3151 9.3151 10.8802 10.8802 11.1580 11.1580 11.7505 11.7505 k = 0.0000 0.1842-0.0000 ( 2541 PWs) bands (ev): -6.4896 -6.4896 -6.2830 -6.2830 -6.2784 -6.2784 -4.1241 -4.1241 -4.1127 -4.1127 -4.0583 -4.0583 0.4190 0.4190 3.6350 3.6350 4.6004 4.6004 4.6755 4.6755 9.2038 9.2038 10.7975 10.7975 11.1846 11.1846 11.6741 11.6741 k = 0.0000 0.1974-0.0000 ( 2533 PWs) bands (ev): -6.4766 -6.4766 -6.2831 -6.2831 -6.2779 -6.2779 -4.1242 -4.1242 -4.1114 -4.1114 -4.0594 -4.0594 0.3745 0.3745 3.6597 3.6597 4.6183 4.6183 4.6980 4.6980 9.0885 9.0885 10.7117 10.7117 11.2128 11.2128 11.5957 11.5957 k = 0.0000 0.2105-0.0000 ( 2533 PWs) bands (ev): -6.4631 -6.4631 -6.2832 -6.2832 -6.2774 -6.2774 -4.1244 -4.1244 -4.1100 -4.1100 -4.0605 -4.0605 0.3287 0.3287 3.6857 3.6857 4.6382 4.6382 4.7214 4.7214 8.9700 8.9700 10.6244 10.6244 11.2427 11.2427 11.5159 11.5159 k = 0.0000 0.2237-0.0000 ( 2537 PWs) bands (ev): -6.4493 -6.4493 -6.2833 -6.2833 -6.2769 -6.2769 -4.1245 -4.1245 -4.1085 -4.1085 -4.0616 -4.0616 0.2821 0.2821 3.7129 3.7129 4.6602 4.6602 4.7457 4.7457 8.8489 8.8489 10.5370 10.5370 11.2742 11.2742 11.4351 11.4351 k = 0.0000 0.2368-0.0000 ( 2537 PWs) bands (ev): -6.4351 -6.4351 -6.2834 -6.2834 -6.2764 -6.2764 -4.1247 -4.1247 -4.1071 -4.1071 -4.0627 -4.0627 0.2349 0.2349 3.7412 3.7412 4.6843 4.6843 4.7707 4.7707 8.7259 8.7259 10.4502 10.4502 11.3072 11.3072 11.3541 11.3541 k = 0.0000 0.2500-0.0000 ( 2545 PWs) bands (ev): -6.4206 -6.4206 -6.2836 -6.2836 -6.2759 -6.2759 -4.1249 -4.1249 -4.1057 -4.1057 -4.0638 -4.0638 0.1875 0.1875 3.7705 3.7705 4.7105 4.7105 4.7962 4.7962 8.6016 8.6016 10.3647 10.3647 11.2731 11.2731 11.3417 11.3417 k = 0.0000 0.2632-0.0000 ( 2545 PWs) bands (ev): -6.4061 -6.4061 -6.2837 -6.2837 -6.2755 -6.2755 -4.1252 -4.1252 -4.1042 -4.1042 -4.0648 -4.0648 0.1403 0.1403 3.8006 3.8006 4.7386 4.7386 4.8220 4.8220 8.4769 8.4769 10.2809 10.2809 11.1929 11.1929 11.3774 11.3774 k = 0.0000 0.2763-0.0000 ( 2545 PWs) bands (ev): -6.3915 -6.3915 -6.2838 -6.2838 -6.2750 -6.2750 -4.1254 -4.1254 -4.1028 -4.1028 -4.0659 -4.0659 0.0934 0.0934 3.8313 3.8313 4.7688 4.7688 4.8481 4.8481 8.3521 8.3521 10.1995 10.1995 11.1138 11.1138 11.4143 11.4143 k = 0.0000 0.2895-0.0000 ( 2537 PWs) bands (ev): -6.3769 -6.3769 -6.2839 -6.2839 -6.2745 -6.2745 -4.1257 -4.1257 -4.1014 -4.1014 -4.0668 -4.0668 0.0473 0.0473 3.8624 3.8624 4.8009 4.8009 4.8742 4.8742 8.2281 8.2281 10.1205 10.1205 11.0364 11.0364 11.4521 11.4521 k = 0.0000 0.3026-0.0000 ( 2545 PWs) bands (ev): -6.3625 -6.3625 -6.2840 -6.2840 -6.2740 -6.2740 -4.1260 -4.1260 -4.1000 -4.1000 -4.0678 -4.0678 0.0022 0.0022 3.8936 3.8936 4.8348 4.8348 4.9002 4.9002 8.1053 8.1053 10.0445 10.0445 10.9610 10.9610 11.4908 11.4908 k = 0.0000 0.3158-0.0000 ( 2541 PWs) bands (ev): -6.3484 -6.3484 -6.2841 -6.2841 -6.2735 -6.2735 -4.1263 -4.1263 -4.0987 -4.0987 -4.0687 -4.0687 -0.0416 -0.0416 3.9248 3.9248 4.8705 4.8705 4.9258 4.9258 7.9844 7.9844 9.9716 9.9716 10.8882 10.8882 11.5301 11.5301 k = 0.0000 0.3289-0.0000 ( 2533 PWs) bands (ev): -6.3347 -6.3347 -6.2842 -6.2842 -6.2731 -6.2731 -4.1265 -4.1265 -4.0975 -4.0975 -4.0695 -4.0695 -0.0837 -0.0837 3.9557 3.9557 4.9077 4.9077 4.9510 4.9510 7.8658 7.8658 9.9022 9.9022 10.8183 10.8183 11.5697 11.5697 k = 0.0000 0.3421-0.0000 ( 2549 PWs) bands (ev): -6.3215 -6.3215 -6.2843 -6.2843 -6.2727 -6.2727 -4.1269 -4.1269 -4.0963 -4.0963 -4.0703 -4.0703 -0.1238 -0.1238 3.9859 3.9859 4.9463 4.9463 4.9753 4.9753 7.7504 7.7504 9.8365 9.8365 10.7518 10.7518 11.6093 11.6093 k = 0.0000 0.3553-0.0000 ( 2545 PWs) bands (ev): -6.3089 -6.3089 -6.2844 -6.2844 -6.2722 -6.2722 -4.1272 -4.1272 -4.0952 -4.0952 -4.0711 -4.0711 -0.1618 -0.1618 4.0152 4.0152 4.9860 4.9860 4.9988 4.9988 7.6386 7.6386 9.7748 9.7748 10.6890 10.6890 11.6487 11.6487 k = 0.0000 0.3684-0.0000 ( 2553 PWs) bands (ev): -6.2971 -6.2971 -6.2845 -6.2845 -6.2717 -6.2717 -4.1275 -4.1275 -4.0941 -4.0941 -4.0718 -4.0718 -0.1974 -0.1974 4.0433 4.0433 5.0210 5.0210 5.0265 5.0265 7.5311 7.5311 9.7175 9.7175 10.6303 10.6303 11.6874 11.6874 k = 0.0000 0.3816-0.0000 ( 2553 PWs) bands (ev): -6.2863 -6.2863 -6.2846 -6.2846 -6.2710 -6.2710 -4.1278 -4.1278 -4.0932 -4.0932 -4.0724 -4.0724 -0.2303 -0.2303 4.0698 4.0698 5.0420 5.0420 5.0673 5.0673 7.4287 7.4287 9.6646 9.6646 10.5760 10.5760 11.7251 11.7251 k = 0.0000 0.3947-0.0000 ( 2553 PWs) bands (ev): -6.2846 -6.2846 -6.2773 -6.2773 -6.2693 -6.2693 -4.1281 -4.1281 -4.0923 -4.0923 -4.0729 -4.0729 -0.2604 -0.2604 4.0946 4.0946 5.0613 5.0613 5.1079 5.1079 7.3322 7.3322 9.6166 9.6166 10.5265 10.5265 11.7611 11.7611 k = 0.0000 0.4079-0.0000 ( 2561 PWs) bands (ev): -6.2847 -6.2847 -6.2732 -6.2732 -6.2639 -6.2639 -4.1284 -4.1284 -4.0915 -4.0915 -4.0734 -4.0734 -0.2874 -0.2874 4.1172 4.1172 5.0790 5.0790 5.1477 5.1477 7.2425 7.2425 9.5735 9.5735 10.4820 10.4820 11.7950 11.7950 k = 0.0000 0.4211-0.0000 ( 2557 PWs) bands (ev): -6.2848 -6.2848 -6.2720 -6.2720 -6.2565 -6.2565 -4.1286 -4.1286 -4.0908 -4.0908 -4.0738 -4.0738 -0.3112 -0.3112 4.1374 4.1374 5.0947 5.0947 5.1857 5.1857 7.1608 7.1608 9.5358 9.5358 10.4429 10.4429 11.8262 11.8262 k = 0.0000 0.4342-0.0000 ( 2557 PWs) bands (ev): -6.2849 -6.2849 -6.2716 -6.2716 -6.2496 -6.2496 -4.1288 -4.1288 -4.0903 -4.0903 -4.0742 -4.0742 -0.3315 -0.3315 4.1550 4.1550 5.1083 5.1083 5.2210 5.2210 7.0882 7.0882 9.5034 9.5034 10.4094 10.4094 11.8541 11.8541 k = 0.0000 0.4474-0.0000 ( 2549 PWs) bands (ev): -6.2849 -6.2849 -6.2713 -6.2713 -6.2438 -6.2438 -4.1290 -4.1290 -4.0898 -4.0898 -4.0744 -4.0744 -0.3484 -0.3484 4.1697 4.1697 5.1196 5.1196 5.2524 5.2524 7.0260 7.0260 9.4767 9.4767 10.3816 10.3816 11.8780 11.8780 k = 0.0000 0.4605-0.0000 ( 2557 PWs) bands (ev): -6.2849 -6.2849 -6.2711 -6.2711 -6.2392 -6.2392 -4.1291 -4.1291 -4.0894 -4.0894 -4.0747 -4.0747 -0.3616 -0.3616 4.1813 4.1813 5.1286 5.1286 5.2787 5.2787 6.9756 6.9756 9.4558 9.4558 10.3599 10.3599 11.8973 11.8973 k = 0.0000 0.4737-0.0000 ( 2560 PWs) bands (ev): -6.2850 -6.2850 -6.2710 -6.2710 -6.2359 -6.2359 -4.1292 -4.1292 -4.0892 -4.0892 -4.0748 -4.0748 -0.3711 -0.3711 4.1898 4.1898 5.1350 5.1350 5.2986 5.2986 6.9384 6.9384 9.4407 9.4407 10.3442 10.3442 11.9115 11.9115 k = 0.0000 0.4868-0.0000 ( 2560 PWs) bands (ev): -6.2850 -6.2850 -6.2709 -6.2709 -6.2339 -6.2339 -4.1293 -4.1293 -4.0890 -4.0890 -4.0749 -4.0749 -0.3768 -0.3768 4.1949 4.1949 5.1390 5.1390 5.3111 5.3111 6.9156 6.9156 9.4316 9.4316 10.3348 10.3348 11.9203 11.9203 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -6.2850 -6.2850 -6.2709 -6.2709 -6.2332 -6.2332 -4.1293 -4.1293 -4.0890 -4.0890 -4.0750 -4.0750 -0.3787 -0.3787 4.1966 4.1966 5.1403 5.1403 5.3153 5.3153 6.9079 6.9079 9.4286 9.4286 10.3316 10.3316 11.9232 11.9232 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -6.2850 -6.2850 -6.2709 -6.2709 -6.2332 -6.2332 -4.1293 -4.1293 -4.0890 -4.0890 -4.0750 -4.0750 -0.3787 -0.3787 4.1966 4.1966 5.1403 5.1403 5.3153 5.3153 6.9079 6.9079 9.4286 9.4286 10.3316 10.3316 11.9232 11.9232 k = 0.0132 0.5000-0.0000 ( 2560 PWs) bands (ev): -6.2856 -6.2856 -6.2729 -6.2729 -6.2302 -6.2302 -4.1292 -4.1292 -4.0889 -4.0889 -4.0749 -4.0749 -0.3774 -0.3774 4.1935 4.1935 5.1351 5.1351 5.3104 5.3104 6.9170 6.9170 9.4292 9.4292 10.3314 10.3314 11.9272 11.9272 k = 0.0263 0.5000-0.0000 ( 2560 PWs) bands (ev): -6.2880 -6.2880 -6.2768 -6.2768 -6.2228 -6.2228 -4.1289 -4.1289 -4.0886 -4.0886 -4.0749 -4.0749 -0.3734 -0.3734 4.1842 4.1842 5.1195 5.1195 5.2963 5.2963 6.9438 6.9438 9.4311 9.4311 10.3310 10.3310 11.9392 11.9392 k = 0.0395 0.5000-0.0000 ( 2552 PWs) bands (ev): -6.2934 -6.2934 -6.2792 -6.2792 -6.2132 -6.2132 -4.1284 -4.1284 -4.0881 -4.0881 -4.0748 -4.0748 -0.3668 -0.3668 4.1686 4.1686 5.0935 5.0935 5.2748 5.2748 6.9866 6.9866 9.4342 9.4342 10.3305 10.3305 11.9590 11.9590 k = 0.0526 0.5000-0.0000 ( 2552 PWs) bands (ev): -6.3009 -6.3009 -6.2802 -6.2802 -6.2024 -6.2024 -4.1278 -4.1278 -4.0874 -4.0874 -4.0747 -4.0747 -0.3575 -0.3575 4.1462 4.1462 5.0577 5.0577 5.2483 5.2483 7.0432 7.0432 9.4386 9.4386 10.3302 10.3302 11.9865 11.9865 k = 0.0658 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.3090 -6.3090 -6.2806 -6.2806 -6.1908 -6.1908 -4.1269 -4.1269 -4.0866 -4.0866 -4.0745 -4.0745 -0.3456 -0.3456 4.1169 4.1169 5.0131 5.0131 5.2186 5.2186 7.1109 7.1109 9.4440 9.4440 10.3306 10.3306 12.0215 12.0215 k = 0.0789 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.3172 -6.3172 -6.2808 -6.2808 -6.1787 -6.1787 -4.1260 -4.1260 -4.0855 -4.0855 -4.0743 -4.0743 -0.3310 -0.3310 4.0802 4.0802 4.9610 4.9610 5.1874 5.1874 7.1876 7.1876 9.4506 9.4506 10.3322 10.3322 12.0636 12.0636 k = 0.0921 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.3253 -6.3253 -6.2808 -6.2808 -6.1661 -6.1661 -4.1249 -4.1249 -4.0842 -4.0842 -4.0740 -4.0740 -0.3138 -0.3138 4.0362 4.0362 4.9029 4.9029 5.1558 5.1558 7.2710 7.2710 9.4583 9.4583 10.3354 10.3354 12.1126 12.1126 k = 0.1053 0.5000-0.0000 ( 2548 PWs) bands (ev): -6.3332 -6.3332 -6.2808 -6.2808 -6.1533 -6.1533 -4.1238 -4.1238 -4.0828 -4.0828 -4.0736 -4.0736 -0.2939 -0.2939 3.9848 3.9848 4.8399 4.8399 5.1246 5.1246 7.3593 7.3593 9.4670 9.4670 10.3407 10.3407 12.1677 12.1677 k = 0.1184 0.5000-0.0000 ( 2540 PWs) bands (ev): -6.3408 -6.3408 -6.2808 -6.2808 -6.1402 -6.1402 -4.1225 -4.1225 -4.0811 -4.0811 -4.0731 -4.0731 -0.2715 -0.2715 3.9263 3.9263 4.7727 4.7727 5.0949 5.0949 7.4512 7.4512 9.4767 9.4767 10.3486 10.3486 12.2284 12.2284 k = 0.1316 0.5000-0.0000 ( 2540 PWs) bands (ev): -6.3481 -6.3481 -6.2808 -6.2808 -6.1268 -6.1268 -4.1213 -4.1213 -4.0794 -4.0794 -4.0723 -4.0723 -0.2464 -0.2464 3.8615 3.8615 4.7015 4.7015 5.0673 5.0673 7.5454 7.5454 9.4873 9.4873 10.3593 10.3593 12.2938 12.2938 k = 0.1447 0.5000-0.0000 ( 2540 PWs) bands (ev): -6.3552 -6.3552 -6.2807 -6.2807 -6.1133 -6.1133 -4.1201 -4.1201 -4.0777 -4.0777 -4.0712 -4.0712 -0.2187 -0.2187 3.7910 3.7910 4.6265 4.6265 5.0424 5.0424 7.6410 7.6410 9.4990 9.4990 10.3734 10.3734 12.3628 12.3628 k = 0.1579 0.5000-0.0000 ( 2540 PWs) bands (ev): -6.3619 -6.3619 -6.2806 -6.2806 -6.0997 -6.0997 -4.1189 -4.1189 -4.0763 -4.0763 -4.0696 -4.0696 -0.1884 -0.1884 3.7158 3.7158 4.5475 4.5475 5.0205 5.0205 7.7373 7.7373 9.5116 9.5116 10.3909 10.3909 12.4344 12.4344 k = 0.1711 0.5000-0.0000 ( 2544 PWs) bands (ev): -6.3683 -6.3683 -6.2805 -6.2805 -6.0860 -6.0860 -4.1177 -4.1177 -4.0752 -4.0752 -4.0672 -4.0672 -0.1556 -0.1556 3.6369 3.6369 4.4647 4.4647 5.0017 5.0017 7.8335 7.8335 9.5253 9.5253 10.4120 10.4120 12.5069 12.5069 k = 0.1842 0.5000-0.0000 ( 2546 PWs) bands (ev): -6.3744 -6.3744 -6.2805 -6.2805 -6.0722 -6.0722 -4.1166 -4.1166 -4.0743 -4.0743 -4.0644 -4.0644 -0.1202 -0.1202 3.5554 3.5554 4.3783 4.3783 4.9860 4.9860 7.9294 7.9294 9.5401 9.5401 10.4367 10.4367 12.5786 12.5786 k = 0.1974 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.3802 -6.3802 -6.2804 -6.2804 -6.0585 -6.0585 -4.1155 -4.1155 -4.0737 -4.0737 -4.0611 -4.0611 -0.0822 -0.0822 3.4721 3.4721 4.2883 4.2883 4.9731 4.9731 8.0243 8.0243 9.5560 9.5560 10.4652 10.4652 12.6475 12.6475 k = 0.2105 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.3857 -6.3857 -6.2802 -6.2802 -6.0448 -6.0448 -4.1145 -4.1145 -4.0730 -4.0730 -4.0574 -4.0574 -0.0418 -0.0418 3.3878 3.3878 4.1952 4.1952 4.9628 4.9628 8.1181 8.1181 9.5731 9.5731 10.4972 10.4972 12.7112 12.7112 k = 0.2237 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.3909 -6.3909 -6.2801 -6.2801 -6.0312 -6.0312 -4.1135 -4.1135 -4.0724 -4.0724 -4.0535 -4.0535 0.0010 0.0010 3.3034 3.3034 4.0993 4.0993 4.9547 4.9547 8.2105 8.2105 9.5916 9.5916 10.5328 10.5328 12.7674 12.7674 k = 0.2368 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.3958 -6.3958 -6.2800 -6.2800 -6.0178 -6.0178 -4.1126 -4.1126 -4.0719 -4.0719 -4.0494 -4.0494 0.0463 0.0463 3.2195 3.2195 4.0011 4.0011 4.9485 4.9485 8.3011 8.3011 9.6114 9.6114 10.5717 10.5717 12.8136 12.8136 k = 0.2500 0.5000-0.0000 ( 2546 PWs) bands (ev): -6.4004 -6.4004 -6.2799 -6.2799 -6.0046 -6.0046 -4.1118 -4.1118 -4.0713 -4.0713 -4.0451 -4.0451 0.0939 0.0939 3.1367 3.1367 3.9009 3.9009 4.9440 4.9440 8.3898 8.3898 9.6327 9.6327 10.6137 10.6137 12.8477 12.8477 k = 0.2632 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.4048 -6.4048 -6.2798 -6.2798 -5.9916 -5.9916 -4.1111 -4.1111 -4.0707 -4.0707 -4.0407 -4.0407 0.1438 0.1438 3.0555 3.0555 3.7993 3.7993 4.9409 4.9409 8.4763 8.4763 9.6555 9.6555 10.6587 10.6587 12.8679 12.8679 k = 0.2763 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.4088 -6.4088 -6.2797 -6.2797 -5.9789 -5.9789 -4.1104 -4.1104 -4.0702 -4.0702 -4.0361 -4.0361 0.1958 0.1958 2.9763 2.9763 3.6966 3.6966 4.9389 4.9389 8.5604 8.5604 9.6800 9.6800 10.7062 10.7062 12.8734 12.8734 k = 0.2895 0.5000-0.0000 ( 2552 PWs) bands (ev): -6.4126 -6.4126 -6.2796 -6.2796 -5.9667 -5.9667 -4.1097 -4.1097 -4.0696 -4.0696 -4.0316 -4.0316 0.2500 0.2500 2.8994 2.8994 3.5934 3.5934 4.9380 4.9380 8.6417 8.6417 9.7061 9.7061 10.7562 10.7562 12.8640 12.8640 k = 0.3026 0.5000-0.0000 ( 2556 PWs) bands (ev): -6.4161 -6.4161 -6.2795 -6.2795 -5.9548 -5.9548 -4.1091 -4.1091 -4.0690 -4.0690 -4.0271 -4.0271 0.3061 0.3061 2.8252 2.8252 3.4902 3.4902 4.9378 4.9378 8.7201 8.7201 9.7340 9.7340 10.8081 10.8081 12.8406 12.8406 k = 0.3158 0.5000-0.0000 ( 2552 PWs) bands (ev): -6.4194 -6.4194 -6.2794 -6.2794 -5.9434 -5.9434 -4.1086 -4.1086 -4.0685 -4.0685 -4.0226 -4.0226 0.3640 0.3640 2.7539 2.7539 3.3874 3.3874 4.9382 4.9382 8.7952 8.7952 9.7636 9.7636 10.8618 10.8618 12.8047 12.8047 k = 0.3289 0.5000-0.0000 ( 2556 PWs) bands (ev): -6.4224 -6.4224 -6.2793 -6.2793 -5.9325 -5.9325 -4.1081 -4.1081 -4.0679 -4.0679 -4.0182 -4.0182 0.4235 0.4235 2.6858 2.6858 3.2857 3.2857 4.9391 4.9391 8.8667 8.8667 9.7950 9.7950 10.9167 10.9167 12.7580 12.7580 k = 0.3421 0.5000-0.0000 ( 2554 PWs) bands (ev): -6.4252 -6.4252 -6.2792 -6.2792 -5.9222 -5.9222 -4.1076 -4.1076 -4.0674 -4.0674 -4.0139 -4.0139 0.4844 0.4844 2.6209 2.6209 3.1855 3.1855 4.9404 4.9404 8.9341 8.9341 9.8281 9.8281 10.9725 10.9725 12.7028 12.7028 k = 0.3553 0.5000-0.0000 ( 2550 PWs) bands (ev): -6.4277 -6.4277 -6.2791 -6.2791 -5.9125 -5.9125 -4.1072 -4.1072 -4.0669 -4.0669 -4.0098 -4.0098 0.5464 0.5464 2.5593 2.5593 3.0877 3.0877 4.9419 4.9419 8.9971 8.9971 9.8627 9.8627 11.0287 11.0287 12.6412 12.6412 k = 0.3684 0.5000-0.0000 ( 2542 PWs) bands (ev): -6.4300 -6.4300 -6.2790 -6.2790 -5.9035 -5.9035 -4.1068 -4.1068 -4.0663 -4.0663 -4.0059 -4.0059 0.6090 0.6090 2.5010 2.5010 2.9930 2.9930 4.9436 4.9436 9.0554 9.0554 9.8987 9.8987 11.0847 11.0847 12.5753 12.5753 k = 0.3816 0.5000-0.0000 ( 2542 PWs) bands (ev): -6.4321 -6.4321 -6.2789 -6.2789 -5.8952 -5.8952 -4.1064 -4.1064 -4.0659 -4.0659 -4.0022 -4.0022 0.6719 0.6719 2.4460 2.4460 2.9024 2.9024 4.9454 4.9454 9.1087 9.1087 9.9355 9.9355 11.1401 11.1401 12.5069 12.5069 k = 0.3947 0.5000-0.0000 ( 2538 PWs) bands (ev): -6.4339 -6.4339 -6.2789 -6.2789 -5.8876 -5.8876 -4.1061 -4.1061 -4.0655 -4.0655 -3.9988 -3.9988 0.7345 0.7345 2.3941 2.3941 2.8169 2.8169 4.9472 4.9472 9.1566 9.1566 9.9726 9.9726 11.1940 11.1940 12.4381 12.4381 k = 0.4079 0.5000-0.0000 ( 2538 PWs) bands (ev): -6.4355 -6.4355 -6.2788 -6.2788 -5.8809 -5.8809 -4.1058 -4.1058 -4.0651 -4.0651 -3.9958 -3.9958 0.7958 0.7958 2.3450 2.3450 2.7378 2.7378 4.9489 4.9489 9.1990 9.1990 10.0094 10.0094 11.2458 11.2458 12.3706 12.3706 k = 0.4211 0.5000-0.0000 ( 2538 PWs) bands (ev): -6.4369 -6.4369 -6.2788 -6.2788 -5.8749 -5.8749 -4.1056 -4.1056 -4.0647 -4.0647 -3.9930 -3.9930 0.8548 0.8548 2.2988 2.2988 2.6666 2.6666 4.9505 4.9505 9.2358 9.2358 10.0448 10.0448 11.2947 11.2947 12.3060 12.3060 k = 0.4342 0.5000-0.0000 ( 2536 PWs) bands (ev): -6.4381 -6.4381 -6.2787 -6.2787 -5.8699 -5.8699 -4.1054 -4.1054 -4.0644 -4.0644 -3.9907 -3.9907 0.9103 0.9103 2.2555 2.2555 2.6046 2.6046 4.9519 4.9519 9.2669 9.2669 10.0778 10.0778 11.3396 11.3396 12.2463 12.2463 k = 0.4474 0.5000-0.0000 ( 2534 PWs) bands (ev): -6.4390 -6.4390 -6.2787 -6.2787 -5.8657 -5.8657 -4.1052 -4.1052 -4.0642 -4.0642 -3.9887 -3.9887 0.9605 0.9605 2.2159 2.2159 2.5531 2.5531 4.9531 4.9531 9.2923 9.2923 10.1072 10.1072 11.3794 11.3794 12.1932 12.1932 k = 0.4605 0.5000-0.0000 ( 2528 PWs) bands (ev): -6.4397 -6.4397 -6.2786 -6.2786 -5.8624 -5.8624 -4.1051 -4.1051 -4.0639 -4.0639 -3.9871 -3.9871 1.0033 1.0033 2.1813 2.1813 2.5128 2.5128 4.9541 4.9541 9.3119 9.3119 10.1317 10.1317 11.4128 11.4128 12.1487 12.1487 k = 0.4737 0.5000-0.0000 ( 2528 PWs) bands (ev): -6.4403 -6.4403 -6.2786 -6.2786 -5.8600 -5.8600 -4.1050 -4.1050 -4.0638 -4.0638 -3.9860 -3.9860 1.0363 1.0363 2.1539 2.1539 2.4842 2.4842 4.9548 4.9548 9.3259 9.3259 10.1502 10.1502 11.4384 11.4384 12.1148 12.1148 k = 0.4868 0.5000-0.0000 ( 2544 PWs) bands (ev): -6.4406 -6.4406 -6.2786 -6.2786 -5.8586 -5.8586 -4.1050 -4.1050 -4.0637 -4.0637 -3.9854 -3.9854 1.0573 1.0573 2.1361 2.1361 2.4671 2.4671 4.9553 4.9553 9.3343 9.3343 10.1617 10.1617 11.4546 11.4546 12.0934 12.0934 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -6.4407 -6.4407 -6.2786 -6.2786 -5.8582 -5.8582 -4.1049 -4.1049 -4.0637 -4.0637 -3.9851 -3.9851 1.0646 1.0646 2.1299 2.1299 2.4615 2.4615 4.9554 4.9554 9.3371 9.3371 10.1656 10.1656 11.4601 11.4601 12.0861 12.0861 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -6.4407 -6.4407 -6.2786 -6.2786 -5.8582 -5.8582 -4.1049 -4.1049 -4.0637 -4.0637 -3.9851 -3.9851 1.0646 1.0646 2.1299 2.1299 2.4615 2.4615 4.9554 4.9554 9.3371 9.3371 10.1656 10.1656 11.4601 11.4601 12.0861 12.0861 k = 0.4906 0.4906-0.0000 ( 2544 PWs) bands (ev): -6.4406 -6.4406 -6.2786 -6.2786 -5.8586 -5.8586 -4.1050 -4.1050 -4.0637 -4.0637 -3.9854 -3.9854 1.0572 1.0572 2.1362 2.1362 2.4673 2.4673 4.9553 4.9553 9.3343 9.3343 10.1616 10.1616 11.4544 11.4544 12.0936 12.0936 k = 0.4811 0.4811-0.0000 ( 2536 PWs) bands (ev): -6.4403 -6.4403 -6.2786 -6.2786 -5.8601 -5.8601 -4.1050 -4.1050 -4.0638 -4.0638 -3.9860 -3.9860 1.0357 1.0357 2.1538 2.1538 2.4854 2.4854 4.9548 4.9548 9.3255 9.3255 10.1500 10.1500 11.4380 11.4380 12.1153 12.1153 k = 0.4717 0.4717-0.0000 ( 2528 PWs) bands (ev): -6.4397 -6.4397 -6.2786 -6.2786 -5.8625 -5.8625 -4.1051 -4.1051 -4.0640 -4.0640 -3.9872 -3.9872 1.0025 1.0025 2.1793 2.1793 2.5168 2.5168 4.9540 4.9540 9.3107 9.3107 10.1318 10.1318 11.4127 11.4127 12.1491 12.1491 k = 0.4623 0.4623-0.0000 ( 2534 PWs) bands (ev): -6.4390 -6.4390 -6.2787 -6.2787 -5.8659 -5.8659 -4.1052 -4.1052 -4.0642 -4.0642 -3.9888 -3.9888 0.9602 0.9602 2.2085 2.2085 2.5627 2.5627 4.9529 4.9529 9.2894 9.2894 10.1087 10.1087 11.3804 11.3804 12.1925 12.1925 k = 0.4528 0.4528-0.0000 ( 2532 PWs) bands (ev): -6.4381 -6.4381 -6.2787 -6.2787 -5.8703 -5.8703 -4.1054 -4.1054 -4.0644 -4.0644 -3.9908 -3.9908 0.9117 0.9117 2.2384 2.2384 2.6236 2.6236 4.9515 4.9515 9.2612 9.2612 10.0826 10.0826 11.3433 11.3433 12.2428 12.2428 k = 0.4434 0.4434-0.0000 ( 2546 PWs) bands (ev): -6.4369 -6.4369 -6.2788 -6.2788 -5.8756 -5.8756 -4.1056 -4.1056 -4.0647 -4.0647 -3.9933 -3.9933 0.8593 0.8593 2.2672 2.2672 2.6984 2.6984 4.9497 4.9497 9.2257 9.2257 10.0554 10.0554 11.3031 11.3031 12.2978 12.2978 k = 0.4340 0.4340-0.0000 ( 2538 PWs) bands (ev): -6.4356 -6.4356 -6.2788 -6.2788 -5.8819 -5.8819 -4.1058 -4.1058 -4.0651 -4.0651 -3.9961 -3.9961 0.8049 0.8049 2.2948 2.2948 2.7852 2.7852 4.9475 4.9475 9.1829 9.1829 10.0289 10.0289 11.2613 11.2613 12.3555 12.3555 k = 0.4245 0.4245-0.0000 ( 2542 PWs) bands (ev): -6.4341 -6.4341 -6.2789 -6.2789 -5.8891 -5.8891 -4.1061 -4.1061 -4.0655 -4.0655 -3.9992 -3.9992 0.7500 0.7500 2.3218 2.3218 2.8819 2.8819 4.9450 4.9450 9.1329 9.1329 10.0044 10.0044 11.2191 11.2191 12.4143 12.4143 k = 0.4151 0.4151-0.0000 ( 2542 PWs) bands (ev): -6.4325 -6.4325 -6.2789 -6.2789 -5.8973 -5.8973 -4.1064 -4.1064 -4.0659 -4.0659 -4.0027 -4.0027 0.6957 0.6957 2.3487 2.3487 2.9863 2.9863 4.9420 4.9420 9.0761 9.0761 9.9826 9.9826 11.1776 11.1776 12.4731 12.4731 k = 0.4057 0.4057-0.0000 ( 2542 PWs) bands (ev): -6.4307 -6.4307 -6.2790 -6.2790 -5.9064 -5.9064 -4.1068 -4.1068 -4.0664 -4.0664 -4.0065 -4.0065 0.6428 0.6428 2.3761 2.3761 3.0968 3.0968 4.9387 4.9387 9.0134 9.0134 9.9642 9.9642 11.1377 11.1377 12.5308 12.5308 k = 0.3962 0.3962-0.0000 ( 2552 PWs) bands (ev): -6.4288 -6.4288 -6.2791 -6.2791 -5.9164 -5.9164 -4.1071 -4.1071 -4.0668 -4.0668 -4.0105 -4.0105 0.5919 0.5919 2.4044 2.4044 3.2118 3.2118 4.9350 4.9350 8.9458 8.9458 9.9491 9.9491 11.1001 11.1001 12.5865 12.5865 k = 0.3868 0.3868-0.0000 ( 2556 PWs) bands (ev): -6.4269 -6.4269 -6.2792 -6.2792 -5.9272 -5.9272 -4.1075 -4.1075 -4.0673 -4.0673 -4.0148 -4.0148 0.5436 0.5436 2.4339 2.4339 3.3302 3.3302 4.9311 4.9311 8.8744 8.8744 9.9372 9.9372 11.0656 11.0656 12.6398 12.6398 k = 0.3774 0.3774-0.0000 ( 2556 PWs) bands (ev): -6.4248 -6.4248 -6.2793 -6.2793 -5.9389 -5.9389 -4.1080 -4.1080 -4.0678 -4.0678 -4.0192 -4.0192 0.4981 0.4981 2.4647 2.4647 3.4507 3.4507 4.9269 4.9269 8.8004 8.8004 9.9284 9.9284 11.0346 11.0346 12.6901 12.6901 k = 0.3679 0.3679-0.0000 ( 2558 PWs) bands (ev): -6.4227 -6.4227 -6.2794 -6.2794 -5.9514 -5.9514 -4.1084 -4.1084 -4.0683 -4.0683 -4.0238 -4.0238 0.4557 0.4557 2.4970 2.4970 3.5724 3.5724 4.9227 4.9227 8.7250 8.7250 9.9225 9.9225 11.0076 11.0076 12.7367 12.7367 k = 0.3585 0.3585-0.0000 ( 2560 PWs) bands (ev): -6.4206 -6.4206 -6.2795 -6.2795 -5.9647 -5.9647 -4.1089 -4.1089 -4.0688 -4.0688 -4.0284 -4.0284 0.4167 0.4167 2.5307 2.5307 3.6940 3.6940 4.9187 4.9187 8.6494 8.6494 9.9191 9.9191 10.9848 10.9848 12.7791 12.7791 k = 0.3491 0.3491-0.0000 ( 2558 PWs) bands (ev): -6.4185 -6.4185 -6.2796 -6.2796 -5.9787 -5.9787 -4.1094 -4.1094 -4.0693 -4.0693 -4.0331 -4.0331 0.3812 0.3812 2.5659 2.5659 3.8142 3.8142 4.9153 4.9153 8.5748 8.5748 9.9181 9.9181 10.9664 10.9664 12.8166 12.8166 k = 0.3396 0.3396-0.0000 ( 2562 PWs) bands (ev): -6.4164 -6.4164 -6.2797 -6.2797 -5.9933 -5.9933 -4.1099 -4.1099 -4.0698 -4.0698 -4.0377 -4.0377 0.3492 0.3492 2.6026 2.6026 3.9317 3.9317 4.9130 4.9130 8.5023 8.5023 9.9196 9.9196 10.9525 10.9525 12.8482 12.8482 k = 0.3302 0.3302-0.0000 ( 2562 PWs) bands (ev): -6.4144 -6.4144 -6.2798 -6.2798 -6.0086 -6.0086 -4.1104 -4.1104 -4.0703 -4.0703 -4.0424 -4.0424 0.3209 0.3209 2.6406 2.6406 4.0446 4.0446 4.9125 4.9125 8.4332 8.4332 9.9233 9.9233 10.9431 10.9431 12.8727 12.8727 k = 0.3208 0.3208-0.0000 ( 2562 PWs) bands (ev): -6.4124 -6.4124 -6.2799 -6.2799 -6.0244 -6.0244 -4.1109 -4.1109 -4.0708 -4.0708 -4.0469 -4.0469 0.2963 0.2963 2.6801 2.6801 4.1509 4.1509 4.9150 4.9150 8.3685 8.3685 9.9295 9.9295 10.9381 10.9381 12.8887 12.8887 k = 0.3113 0.3113-0.0000 ( 2562 PWs) bands (ev): -6.4107 -6.4107 -6.2800 -6.2800 -6.0407 -6.0407 -4.1115 -4.1115 -4.0713 -4.0713 -4.0513 -4.0513 0.2754 0.2754 2.7207 2.7207 4.2480 4.2480 4.9219 4.9219 8.3095 8.3095 9.9381 9.9381 10.9375 10.9375 12.8948 12.8948 k = 0.3019 0.3019-0.0000 ( 2558 PWs) bands (ev): -6.4091 -6.4091 -6.2801 -6.2801 -6.0574 -6.0574 -4.1120 -4.1120 -4.0719 -4.0719 -4.0554 -4.0554 0.2582 0.2582 2.7625 2.7625 4.3329 4.3329 4.9350 4.9350 8.2576 8.2576 9.9493 9.9493 10.9410 10.9410 12.8895 12.8895 k = 0.2925 0.2925-0.0000 ( 2566 PWs) bands (ev): -6.4078 -6.4078 -6.2802 -6.2802 -6.0743 -6.0743 -4.1126 -4.1126 -4.0728 -4.0728 -4.0591 -4.0591 0.2446 0.2446 2.8053 2.8053 4.4026 4.4026 4.9558 4.9558 8.2142 8.2142 9.9632 9.9632 10.9483 10.9483 12.8715 12.8715 k = 0.2830 0.2830-0.0000 ( 2558 PWs) bands (ev): -6.4068 -6.4068 -6.2803 -6.2803 -6.0914 -6.0914 -4.1131 -4.1131 -4.0740 -4.0740 -4.0622 -4.0622 0.2347 0.2347 2.8489 2.8489 4.4553 4.4553 4.9850 4.9850 8.1806 8.1806 9.9800 9.9800 10.9594 10.9594 12.8404 12.8404 k = 0.2736 0.2736-0.0000 ( 2556 PWs) bands (ev): -6.4062 -6.4062 -6.2804 -6.2804 -6.1085 -6.1085 -4.1137 -4.1137 -4.0758 -4.0758 -4.0645 -4.0645 0.2283 0.2283 2.8932 2.8932 4.4913 4.4913 5.0210 5.0210 8.1583 8.1583 9.9997 9.9997 10.9738 10.9738 12.7963 12.7963 k = 0.2642 0.2642-0.0000 ( 2548 PWs) bands (ev): -6.4060 -6.4060 -6.2805 -6.2805 -6.1256 -6.1256 -4.1143 -4.1143 -4.0783 -4.0783 -4.0659 -4.0659 0.2254 0.2254 2.9380 2.9380 4.5127 4.5127 5.0602 5.0602 8.1485 8.1485 10.0226 10.0226 10.9914 10.9914 12.7403 12.7403 k = 0.2547 0.2547-0.0000 ( 2556 PWs) bands (ev): -6.4063 -6.4063 -6.2807 -6.2807 -6.1423 -6.1423 -4.1148 -4.1148 -4.0812 -4.0812 -4.0665 -4.0665 0.2259 0.2259 2.9832 2.9832 4.5228 4.5228 5.0985 5.0985 8.1524 8.1524 10.0487 10.0487 11.0118 11.0118 12.6742 12.6742 k = 0.2453 0.2453-0.0000 ( 2556 PWs) bands (ev): -6.4074 -6.4074 -6.2808 -6.2808 -6.1587 -6.1587 -4.1154 -4.1154 -4.0843 -4.0843 -4.0668 -4.0668 0.2297 0.2297 3.0284 3.0284 4.5248 4.5248 5.1318 5.1318 8.1707 8.1707 10.0782 10.0782 11.0348 11.0348 12.5999 12.5999 k = 0.2358 0.2358-0.0000 ( 2540 PWs) bands (ev): -6.4091 -6.4091 -6.2808 -6.2808 -6.1744 -6.1744 -4.1159 -4.1159 -4.0874 -4.0874 -4.0667 -4.0667 0.2367 0.2367 3.0734 3.0734 4.5210 4.5210 5.1574 5.1574 8.2039 8.2039 10.1111 10.1111 11.0602 11.0602 12.5196 12.5196 k = 0.2264 0.2264-0.0000 ( 2546 PWs) bands (ev): -6.4118 -6.4118 -6.2810 -6.2810 -6.1893 -6.1893 -4.1165 -4.1165 -4.0905 -4.0905 -4.0664 -4.0664 0.2466 0.2466 3.1180 3.1180 4.5135 4.5135 5.1736 5.1736 8.2516 8.2516 10.1475 10.1475 11.0875 11.0875 12.4351 12.4351 k = 0.2170 0.2170-0.0000 ( 2554 PWs) bands (ev): -6.4154 -6.4154 -6.2811 -6.2811 -6.2033 -6.2033 -4.1170 -4.1170 -4.0934 -4.0934 -4.0660 -4.0660 0.2595 0.2595 3.1619 3.1619 4.5035 4.5035 5.1796 5.1796 8.3133 8.3133 10.1876 10.1876 11.1166 11.1166 12.3484 12.3484 k = 0.2075 0.2075-0.0000 ( 2550 PWs) bands (ev): -6.4201 -6.4201 -6.2812 -6.2812 -6.2160 -6.2160 -4.1175 -4.1175 -4.0962 -4.0962 -4.0654 -4.0654 0.2751 0.2751 3.2046 3.2046 4.4921 4.4921 5.1756 5.1756 8.3878 8.3878 10.2312 10.2312 11.1471 11.1471 12.2609 12.2609 k = 0.1981 0.1981-0.0000 ( 2550 PWs) bands (ev): -6.4260 -6.4260 -6.2812 -6.2812 -6.2275 -6.2275 -4.1180 -4.1180 -4.0989 -4.0989 -4.0647 -4.0647 0.2933 0.2933 3.2460 3.2460 4.4800 4.4800 5.1621 5.1621 8.4735 8.4735 10.2786 10.2786 11.1786 11.1786 12.1739 12.1739 k = 0.1887 0.1887-0.0000 ( 2554 PWs) bands (ev): -6.4330 -6.4330 -6.2813 -6.2813 -6.2376 -6.2376 -4.1185 -4.1185 -4.1014 -4.1014 -4.0639 -4.0639 0.3138 0.3138 3.2854 3.2854 4.4680 4.4680 5.1403 5.1403 8.5688 8.5688 10.3298 10.3298 11.2108 11.2108 12.0886 12.0886 k = 0.1792 0.1792-0.0000 ( 2558 PWs) bands (ev): -6.4412 -6.4412 -6.2814 -6.2814 -6.2463 -6.2463 -4.1190 -4.1190 -4.1037 -4.1037 -4.0631 -4.0631 0.3365 0.3365 3.3226 3.3226 4.4567 4.4567 5.1112 5.1112 8.6716 8.6716 10.3847 10.3847 11.2432 11.2432 12.0060 12.0060 k = 0.1698 0.1698-0.0000 ( 2558 PWs) bands (ev): -6.4503 -6.4503 -6.2815 -6.2815 -6.2536 -6.2536 -4.1195 -4.1195 -4.1059 -4.1059 -4.0622 -4.0622 0.3611 0.3611 3.3571 3.3571 4.4464 4.4464 5.0763 5.0763 8.7799 8.7799 10.4432 10.4432 11.2751 11.2751 11.9271 11.9271 k = 0.1604 0.1604-0.0000 ( 2544 PWs) bands (ev): -6.4602 -6.4602 -6.2816 -6.2816 -6.2597 -6.2597 -4.1199 -4.1199 -4.1080 -4.1080 -4.0612 -4.0612 0.3875 0.3875 3.3885 3.3885 4.4377 4.4377 5.0367 5.0367 8.8918 8.8918 10.5053 10.5053 11.3058 11.3058 11.8532 11.8532 k = 0.1509 0.1509-0.0000 ( 2544 PWs) bands (ev): -6.4708 -6.4708 -6.2816 -6.2816 -6.2646 -6.2646 -4.1203 -4.1203 -4.1099 -4.1099 -4.0603 -4.0603 0.4152 0.4152 3.4164 3.4164 4.4310 4.4310 4.9939 4.9939 9.0053 9.0053 10.5704 10.5704 11.3337 11.3337 11.7859 11.7859 k = 0.1415 0.1415-0.0000 ( 2552 PWs) bands (ev): -6.4817 -6.4817 -6.2817 -6.2817 -6.2686 -6.2686 -4.1207 -4.1207 -4.1116 -4.1116 -4.0593 -4.0593 0.4441 0.4441 3.4405 3.4405 4.4264 4.4264 4.9489 4.9489 9.1186 9.1186 10.6378 10.6378 11.3569 11.3569 11.7277 11.7277 k = 0.1321 0.1321-0.0000 ( 2552 PWs) bands (ev): -6.4928 -6.4928 -6.2818 -6.2818 -6.2718 -6.2718 -4.1210 -4.1210 -4.1132 -4.1132 -4.0582 -4.0582 0.4738 0.4738 3.4604 3.4604 4.4243 4.4243 4.9028 4.9028 9.2301 9.2301 10.7063 10.7063 11.3717 11.3717 11.6828 11.6828 k = 0.1226 0.1226-0.0000 ( 2546 PWs) bands (ev): -6.5038 -6.5038 -6.2818 -6.2818 -6.2743 -6.2743 -4.1214 -4.1214 -4.1147 -4.1147 -4.0572 -4.0572 0.5040 0.5040 3.4761 3.4761 4.4246 4.4246 4.8566 4.8566 9.3382 9.3382 10.7741 10.7741 11.3732 11.3732 11.6569 11.6569 k = 0.1132 0.1132-0.0000 ( 2542 PWs) bands (ev): -6.5147 -6.5147 -6.2819 -6.2819 -6.2763 -6.2763 -4.1217 -4.1217 -4.1161 -4.1161 -4.0562 -4.0562 0.5344 0.5344 3.4876 3.4876 4.4274 4.4274 4.8111 4.8111 9.4419 9.4419 10.8384 10.8384 11.3586 11.3586 11.6544 11.6544 k = 0.1038 0.1038-0.0000 ( 2538 PWs) bands (ev): -6.5251 -6.5251 -6.2819 -6.2819 -6.2778 -6.2778 -4.1220 -4.1220 -4.1173 -4.1173 -4.0553 -4.0553 0.5646 0.5646 3.4951 3.4951 4.4324 4.4324 4.7671 4.7671 9.5402 9.5402 10.8960 10.8960 11.3307 11.3307 11.6743 11.6743 k = 0.0943 0.0943-0.0000 ( 2540 PWs) bands (ev): -6.5351 -6.5351 -6.2820 -6.2820 -6.2790 -6.2790 -4.1222 -4.1222 -4.1184 -4.1184 -4.0544 -4.0544 0.5941 0.5941 3.4988 3.4988 4.4393 4.4393 4.7253 4.7253 9.6325 9.6325 10.9434 10.9434 11.2950 11.2950 11.7130 11.7130 k = 0.0849 0.0849-0.0000 ( 2536 PWs) bands (ev): -6.5443 -6.5443 -6.2820 -6.2820 -6.2799 -6.2799 -4.1225 -4.1225 -4.1194 -4.1194 -4.0535 -4.0535 0.6226 0.6226 3.4993 3.4993 4.4476 4.4476 4.6863 4.6863 9.7183 9.7183 10.9783 10.9783 11.2559 11.2559 11.7674 11.7674 k = 0.0755 0.0755-0.0000 ( 2536 PWs) bands (ev): -6.5529 -6.5529 -6.2821 -6.2821 -6.2805 -6.2805 -4.1227 -4.1227 -4.1203 -4.1203 -4.0527 -4.0527 0.6497 0.6497 3.4971 3.4971 4.4569 4.4569 4.6504 4.6504 9.7973 9.7973 11.0002 11.0002 11.2156 11.2156 11.8346 11.8346 k = 0.0660 0.0660-0.0000 ( 2536 PWs) bands (ev): -6.5606 -6.5606 -6.2821 -6.2821 -6.2811 -6.2811 -4.1229 -4.1229 -4.1210 -4.1210 -4.0520 -4.0520 0.6749 0.6749 3.4929 3.4929 4.4667 4.4667 4.6181 4.6181 9.8694 9.8694 11.0106 11.0106 11.1751 11.1751 11.9113 11.9113 k = 0.0566 0.0566-0.0000 ( 2534 PWs) bands (ev): -6.5674 -6.5674 -6.2821 -6.2821 -6.2815 -6.2815 -4.1231 -4.1231 -4.1217 -4.1217 -4.0513 -4.0513 0.6978 0.6978 3.4874 3.4874 4.4764 4.4764 4.5897 4.5897 9.9343 9.9343 11.0127 11.0127 11.1353 11.1353 11.9931 11.9931 k = 0.0472 0.0472-0.0000 ( 2532 PWs) bands (ev): -6.5733 -6.5733 -6.2822 -6.2822 -6.2817 -6.2817 -4.1232 -4.1232 -4.1223 -4.1223 -4.0507 -4.0507 0.7180 0.7180 3.4813 3.4813 4.4855 4.4855 4.5654 4.5654 9.9916 9.9916 11.0096 11.0096 11.0972 11.0972 12.0749 12.0749 k = 0.0377 0.0377-0.0000 ( 2532 PWs) bands (ev): -6.5782 -6.5782 -6.2822 -6.2822 -6.2819 -6.2819 -4.1233 -4.1233 -4.1227 -4.1227 -4.0503 -4.0503 0.7351 0.7351 3.4752 3.4752 4.4936 4.4936 4.5453 4.5453 10.0408 10.0408 11.0039 11.0039 11.0621 11.0621 12.1516 12.1516 k = 0.0283 0.0283-0.0000 ( 2530 PWs) bands (ev): -6.5820 -6.5820 -6.2822 -6.2822 -6.2821 -6.2821 -4.1234 -4.1234 -4.1231 -4.1231 -4.0499 -4.0499 0.7488 0.7488 3.4699 3.4699 4.5002 4.5002 4.5296 4.5296 10.0809 10.0809 10.9978 10.9978 11.0318 11.0318 12.2181 12.2181 k = 0.0189 0.0189-0.0000 ( 2522 PWs) bands (ev): -6.5847 -6.5847 -6.2822 -6.2822 -6.2822 -6.2822 -4.1234 -4.1234 -4.1233 -4.1233 -4.0496 -4.0496 0.7588 0.7588 3.4657 3.4657 4.5052 4.5052 4.5184 4.5184 10.1108 10.1108 10.9926 10.9926 11.0082 11.0082 12.2698 12.2698 k = 0.0094 0.0094-0.0000 ( 2517 PWs) bands (ev): -6.5864 -6.5864 -6.2822 -6.2822 -6.2822 -6.2822 -4.1235 -4.1235 -4.1234 -4.1234 -4.0494 -4.0494 0.7649 0.7649 3.4630 3.4630 4.5083 4.5083 4.5116 4.5116 10.1294 10.1294 10.9891 10.9891 10.9931 10.9931 12.3025 12.3025 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -6.5870 -6.5870 -6.2822 -6.2822 -6.2822 -6.2822 -4.1235 -4.1235 -4.1235 -4.1235 -4.0494 -4.0494 0.7669 0.7669 3.4621 3.4621 4.5094 4.5094 4.5094 4.5094 10.1357 10.1357 10.9879 10.9879 10.9879 10.9879 12.3138 12.3138 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -6.5870 -6.5870 -6.2822 -6.2822 -6.2822 -6.2822 -4.1235 -4.1235 -4.1235 -4.1235 -4.0494 -4.0494 0.7669 0.7669 3.4621 3.4621 4.5094 4.5094 4.5094 4.5094 10.1357 10.1357 10.9879 10.9879 10.9879 10.9879 12.3138 12.3138 k = 0.0077 0.0077 0.0077 ( 2517 PWs) bands (ev): -6.5864 -6.5864 -6.2822 -6.2822 -6.2822 -6.2822 -4.1235 -4.1235 -4.1234 -4.1234 -4.0494 -4.0494 0.7649 0.7649 3.4630 3.4630 4.5081 4.5081 4.5119 4.5119 10.1294 10.1294 10.9892 10.9892 10.9931 10.9931 12.3018 12.3019 k = 0.0154 0.0154 0.0154 ( 2523 PWs) bands (ev): -6.5848 -6.5848 -6.2822 -6.2822 -6.2822 -6.2822 -4.1234 -4.1234 -4.1233 -4.1233 -4.0496 -4.0496 0.7588 0.7588 3.4656 3.4656 4.5042 4.5042 4.5194 4.5194 10.1109 10.1109 10.9929 10.9929 11.0078 11.0078 12.2672 12.2672 k = 0.0231 0.0231 0.0231 ( 2529 PWs) bands (ev): -6.5820 -6.5820 -6.2822 -6.2822 -6.2821 -6.2821 -4.1233 -4.1233 -4.1231 -4.1231 -4.0499 -4.0499 0.7489 0.7489 3.4697 3.4697 4.4978 4.4978 4.5321 4.5321 10.0813 10.0813 10.9989 10.9989 11.0304 11.0304 12.2132 12.2132 k = 0.0308 0.0308 0.0308 ( 2529 PWs) bands (ev): -6.5782 -6.5782 -6.2821 -6.2821 -6.2820 -6.2820 -4.1232 -4.1232 -4.1229 -4.1229 -4.0503 -4.0503 0.7354 0.7354 3.4747 3.4747 4.4890 4.4890 4.5500 4.5500 10.0417 10.0417 11.0069 11.0069 11.0582 11.0582 12.1448 12.1448 k = 0.0385 0.0385 0.0385 ( 2532 PWs) bands (ev): -6.5734 -6.5734 -6.2820 -6.2820 -6.2818 -6.2818 -4.1230 -4.1230 -4.1225 -4.1225 -4.0507 -4.0507 0.7186 0.7186 3.4802 3.4802 4.4777 4.4777 4.5732 4.5732 9.9936 9.9936 11.0163 11.0163 11.0879 11.0879 12.0683 12.0683 k = 0.0462 0.0462 0.0462 ( 2532 PWs) bands (ev): -6.5675 -6.5675 -6.2819 -6.2819 -6.2816 -6.2816 -4.1227 -4.1227 -4.1220 -4.1220 -4.0513 -4.0513 0.6989 0.6989 3.4854 3.4854 4.4641 4.4641 4.6019 4.6019 9.9381 9.9381 11.0268 11.0268 11.1148 11.1148 11.9912 11.9912 k = 0.0538 0.0538 0.0538 ( 2535 PWs) bands (ev): -6.5608 -6.5608 -6.2818 -6.2818 -6.2812 -6.2812 -4.1224 -4.1224 -4.1215 -4.1215 -4.0519 -4.0519 0.6768 0.6768 3.4897 3.4897 4.4483 4.4483 4.6361 4.6361 9.8760 9.8760 11.0375 11.0375 11.1329 11.1329 11.9220 11.9220 k = 0.0615 0.0615 0.0615 ( 2544 PWs) bands (ev): -6.5531 -6.5531 -6.2817 -6.2817 -6.2807 -6.2807 -4.1220 -4.1220 -4.1209 -4.1209 -4.0527 -4.0527 0.6528 0.6528 3.4927 3.4927 4.4304 4.4304 4.6754 4.6754 9.8082 9.8082 11.0476 11.0476 11.1349 11.1349 11.8703 11.8703 k = 0.0692 0.0692 0.0692 ( 2538 PWs) bands (ev): -6.5447 -6.5447 -6.2816 -6.2816 -6.2800 -6.2800 -4.1216 -4.1216 -4.1202 -4.1202 -4.0535 -4.0535 0.6272 0.6272 3.4938 3.4938 4.4106 4.4106 4.7196 4.7196 9.7354 9.7354 11.0562 11.0562 11.1143 11.1143 11.8446 11.8446 k = 0.0769 0.0769 0.0769 ( 2538 PWs) bands (ev): -6.5355 -6.5355 -6.2814 -6.2814 -6.2790 -6.2790 -4.1210 -4.1210 -4.1195 -4.1195 -4.0543 -4.0543 0.6006 0.6006 3.4928 3.4928 4.3890 4.3890 4.7681 4.7681 9.6581 9.6581 11.0620 11.0620 11.0695 11.0695 11.8478 11.8478 k = 0.0846 0.0846 0.0846 ( 2544 PWs) bands (ev): -6.5257 -6.5257 -6.2813 -6.2813 -6.2777 -6.2777 -4.1204 -4.1204 -4.1187 -4.1187 -4.0552 -4.0552 0.5735 0.5735 3.4894 3.4894 4.3658 4.3658 4.8202 4.8202 9.5772 9.5772 11.0045 11.0045 11.0639 11.0639 11.8770 11.8770 k = 0.0923 0.0923 0.0923 ( 2544 PWs) bands (ev): -6.5155 -6.5155 -6.2811 -6.2811 -6.2761 -6.2761 -4.1197 -4.1197 -4.1178 -4.1178 -4.0562 -4.0562 0.5462 0.5462 3.4836 3.4836 4.3411 4.3411 4.8748 4.8748 9.4937 9.4937 10.9261 10.9261 11.0607 11.0607 11.9260 11.9260 k = 0.1000 0.1000 0.1000 ( 2556 PWs) bands (ev): -6.5049 -6.5049 -6.2809 -6.2809 -6.2739 -6.2739 -4.1189 -4.1189 -4.1168 -4.1168 -4.0572 -4.0572 0.5191 0.5191 3.4754 3.4754 4.3152 4.3152 4.9310 4.9310 9.4088 9.4088 10.8399 10.8399 11.0511 11.0511 11.9892 11.9892 k = 0.1077 0.1077 0.1077 ( 2544 PWs) bands (ev): -6.4941 -6.4941 -6.2807 -6.2807 -6.2711 -6.2711 -4.1180 -4.1180 -4.1158 -4.1158 -4.0582 -4.0582 0.4927 0.4927 3.4650 3.4650 4.2881 4.2881 4.9872 4.9872 9.3236 9.3236 10.7502 10.7502 11.0342 11.0342 12.0627 12.0627 k = 0.1154 0.1154 0.1154 ( 2551 PWs) bands (ev): -6.4833 -6.4833 -6.2805 -6.2805 -6.2676 -6.2676 -4.1170 -4.1170 -4.1147 -4.1147 -4.0592 -4.0592 0.4672 0.4672 3.4525 3.4525 4.2600 4.2600 5.0422 5.0422 9.2399 9.2399 10.6593 10.6593 11.0092 11.0092 12.1437 12.1437 k = 0.1231 0.1231 0.1231 ( 2545 PWs) bands (ev): -6.4726 -6.4726 -6.2803 -6.2803 -6.2632 -6.2632 -4.1158 -4.1158 -4.1135 -4.1135 -4.0601 -4.0601 0.4431 0.4431 3.4382 3.4382 4.2312 4.2312 5.0944 5.0944 9.1591 9.1591 10.5686 10.5686 10.9754 10.9754 12.2304 12.2304 k = 0.1308 0.1308 0.1308 ( 2551 PWs) bands (ev): -6.4623 -6.4623 -6.2801 -6.2801 -6.2578 -6.2578 -4.1146 -4.1146 -4.1124 -4.1124 -4.0611 -4.0611 0.4205 0.4205 3.4222 3.4222 4.2018 4.2018 5.1422 5.1422 9.0830 9.0830 10.4790 10.4790 10.9327 10.9327 12.3216 12.3216 k = 0.1385 0.1385 0.1385 ( 2554 PWs) bands (ev): -6.4525 -6.4525 -6.2799 -6.2799 -6.2513 -6.2513 -4.1133 -4.1133 -4.1111 -4.1111 -4.0620 -4.0620 0.3998 0.3998 3.4049 3.4049 4.1719 4.1719 5.1838 5.1838 9.0131 9.0131 10.3910 10.3910 10.8812 10.8812 12.4165 12.4165 k = 0.1462 0.1462 0.1462 ( 2560 PWs) bands (ev): -6.4435 -6.4435 -6.2797 -6.2797 -6.2435 -6.2435 -4.1119 -4.1119 -4.1098 -4.1098 -4.0628 -4.0628 0.3811 0.3811 3.3863 3.3863 4.1418 4.1418 5.2179 5.2179 8.9508 8.9508 10.3050 10.3050 10.8210 10.8210 12.5144 12.5144 k = 0.1538 0.1538 0.1538 ( 2554 PWs) bands (ev): -6.4352 -6.4352 -6.2794 -6.2794 -6.2345 -6.2345 -4.1104 -4.1104 -4.1085 -4.1085 -4.0635 -4.0635 0.3648 0.3648 3.3668 3.3668 4.1115 4.1115 5.2428 5.2428 8.8972 8.8972 10.2214 10.2214 10.7527 10.7527 12.6148 12.6148 k = 0.1615 0.1615 0.1615 ( 2557 PWs) bands (ev): -6.4278 -6.4278 -6.2792 -6.2792 -6.2241 -6.2241 -4.1089 -4.1089 -4.1071 -4.1071 -4.0641 -4.0641 0.3509 0.3509 3.3465 3.3465 4.0813 4.0813 5.2573 5.2573 8.8529 8.8529 10.1410 10.1410 10.6770 10.6770 12.7174 12.7174 k = 0.1692 0.1692 0.1692 ( 2557 PWs) bands (ev): -6.4213 -6.4213 -6.2790 -6.2790 -6.2125 -6.2125 -4.1074 -4.1074 -4.1057 -4.1057 -4.0645 -4.0645 0.3396 0.3396 3.3256 3.3256 4.0513 4.0513 5.2606 5.2606 8.8177 8.8177 10.0645 10.0645 10.5944 10.5944 12.8218 12.8218 k = 0.1769 0.1769 0.1769 ( 2557 PWs) bands (ev): -6.4157 -6.4157 -6.2787 -6.2787 -6.1998 -6.1998 -4.1060 -4.1060 -4.1043 -4.1043 -4.0647 -4.0647 0.3312 0.3312 3.3044 3.3044 4.0215 4.0215 5.2521 5.2521 8.7907 8.7907 9.9933 9.9933 10.5058 10.5058 12.9279 12.9279 k = 0.1846 0.1846 0.1846 ( 2554 PWs) bands (ev): -6.4109 -6.4109 -6.2785 -6.2785 -6.1859 -6.1859 -4.1046 -4.1046 -4.1028 -4.1028 -4.0647 -4.0647 0.3258 0.3258 3.2830 3.2830 3.9922 3.9922 5.2317 5.2317 8.7700 8.7700 9.9290 9.9290 10.4119 10.4119 13.0354 13.0354 k = 0.1923 0.1923 0.1923 ( 2548 PWs) bands (ev): -6.4068 -6.4068 -6.2782 -6.2782 -6.1712 -6.1712 -4.1033 -4.1033 -4.1013 -4.1013 -4.0644 -4.0644 0.3234 0.3234 3.2615 3.2615 3.9635 3.9635 5.1998 5.1998 8.7528 8.7528 9.8739 9.8739 10.3133 10.3133 13.1442 13.1442 k = 0.2000 0.2000 0.2000 ( 2560 PWs) bands (ev): -6.4032 -6.4032 -6.2780 -6.2780 -6.1558 -6.1558 -4.1023 -4.1023 -4.0998 -4.0998 -4.0638 -4.0638 0.3242 0.3242 3.2401 3.2401 3.9355 3.9355 5.1571 5.1571 8.7355 8.7355 9.8303 9.8303 10.2109 10.2109 13.2542 13.2542 k = 0.2077 0.2077 0.2077 ( 2557 PWs) bands (ev): -6.4002 -6.4002 -6.2777 -6.2777 -6.1398 -6.1398 -4.1014 -4.1014 -4.0983 -4.0983 -4.0629 -4.0629 0.3283 0.3283 3.2189 3.2189 3.9082 3.9082 5.1045 5.1045 8.7142 8.7142 9.8006 9.8006 10.1052 10.1052 13.3654 13.3654 k = 0.2154 0.2154 0.2154 ( 2557 PWs) bands (ev): -6.3974 -6.3974 -6.2775 -6.2775 -6.1235 -6.1235 -4.1009 -4.1009 -4.0968 -4.0968 -4.0617 -4.0617 0.3359 0.3359 3.1981 3.1981 3.8818 3.8818 5.0434 5.0434 8.6853 8.6853 9.7864 9.7864 9.9969 9.9969 13.4776 13.4776 k = 0.2231 0.2231 0.2231 ( 2560 PWs) bands (ev): -6.3949 -6.3949 -6.2773 -6.2773 -6.1069 -6.1069 -4.1005 -4.1005 -4.0953 -4.0953 -4.0602 -4.0602 0.3468 0.3468 3.1776 3.1776 3.8564 3.8564 4.9749 4.9749 8.6464 8.6464 9.7879 9.7879 9.8864 9.8864 13.5909 13.5909 k = 0.2308 0.2308 0.2308 ( 2566 PWs) bands (ev): -6.3926 -6.3926 -6.2770 -6.2770 -6.0902 -6.0902 -4.1004 -4.1004 -4.0937 -4.0937 -4.0585 -4.0585 0.3614 0.3614 3.1577 3.1577 3.8320 3.8320 4.9004 4.9004 8.5967 8.5967 9.7744 9.7744 9.8036 9.8036 13.7053 13.7053 k = 0.2385 0.2385 0.2385 ( 2560 PWs) bands (ev): -6.3904 -6.3904 -6.2768 -6.2768 -6.0735 -6.0735 -4.1005 -4.1005 -4.0922 -4.0922 -4.0566 -4.0566 0.3794 0.3794 3.1383 3.1383 3.8088 3.8088 4.8211 4.8211 8.5365 8.5365 9.6613 9.6613 9.8303 9.8303 13.8208 13.8208 k = 0.2462 0.2462 0.2462 ( 2560 PWs) bands (ev): -6.3882 -6.3882 -6.2766 -6.2766 -6.0569 -6.0569 -4.1008 -4.1008 -4.0907 -4.0907 -4.0545 -4.0545 0.4011 0.4011 3.1195 3.1195 3.7868 3.7868 4.7384 4.7384 8.4674 8.4674 9.5474 9.5474 9.8638 9.8638 13.9374 13.9374 k = 0.2538 0.2538 0.2538 ( 2554 PWs) bands (ev): -6.3859 -6.3859 -6.2764 -6.2764 -6.0405 -6.0405 -4.1013 -4.1013 -4.0892 -4.0892 -4.0525 -4.0525 0.4265 0.4265 3.1015 3.1015 3.7660 3.7660 4.6532 4.6532 8.3908 8.3908 9.4333 9.4333 9.8992 9.8992 14.0551 14.0551 k = 0.2615 0.2615 0.2615 ( 2542 PWs) bands (ev): -6.3836 -6.3836 -6.2761 -6.2761 -6.0244 -6.0244 -4.1020 -4.1020 -4.0877 -4.0877 -4.0504 -4.0504 0.4554 0.4554 3.0841 3.0841 3.7465 3.7465 4.5667 4.5667 8.3084 8.3084 9.3193 9.3193 9.9319 9.9319 14.1735 14.1735 k = 0.2692 0.2692 0.2692 ( 2542 PWs) bands (ev): -6.3812 -6.3812 -6.2759 -6.2759 -6.0087 -6.0087 -4.1027 -4.1027 -4.0862 -4.0862 -4.0485 -4.0485 0.4880 0.4880 3.0673 3.0673 3.7283 3.7283 4.4797 4.4797 8.2218 8.2218 9.2057 9.2057 9.9571 9.9571 14.2911 14.2911 k = 0.2769 0.2769 0.2769 ( 2533 PWs) bands (ev): -6.3786 -6.3786 -6.2757 -6.2757 -5.9934 -5.9934 -4.1036 -4.1036 -4.0847 -4.0847 -4.0467 -4.0467 0.5242 0.5242 3.0513 3.0513 3.7115 3.7115 4.3930 4.3930 8.1319 8.1319 9.0927 9.0927 9.9706 9.9706 14.3649 14.3649 k = 0.2846 0.2846 0.2846 ( 2533 PWs) bands (ev): -6.3758 -6.3758 -6.2755 -6.2755 -5.9785 -5.9785 -4.1046 -4.1046 -4.0833 -4.0833 -4.0451 -4.0451 0.5639 0.5639 3.0360 3.0360 3.6961 3.6961 4.3075 4.3075 8.0399 8.0399 8.9808 8.9808 9.9687 9.9687 14.3091 14.3091 k = 0.2923 0.2923 0.2923 ( 2521 PWs) bands (ev): -6.3728 -6.3728 -6.2753 -6.2753 -5.9642 -5.9642 -4.1057 -4.1057 -4.0819 -4.0819 -4.0437 -4.0437 0.6070 0.6070 3.0212 3.0212 3.6821 3.6821 4.2238 4.2238 7.9465 7.9465 8.8702 8.8702 9.9487 9.9487 14.2680 14.2680 k = 0.3000 0.3000 0.3000 ( 2515 PWs) bands (ev): -6.3696 -6.3696 -6.2752 -6.2752 -5.9504 -5.9504 -4.1069 -4.1069 -4.0806 -4.0806 -4.0426 -4.0426 0.6535 0.6535 3.0070 3.0070 3.6695 3.6695 4.1426 4.1426 7.8523 7.8523 8.7611 8.7611 9.9090 9.9090 14.2551 14.2551 k = 0.3077 0.3077 0.3077 ( 2515 PWs) bands (ev): -6.3662 -6.3662 -6.2750 -6.2750 -5.9372 -5.9372 -4.1082 -4.1082 -4.0793 -4.0793 -4.0418 -4.0418 0.7032 0.7032 2.9933 2.9933 3.6583 3.6583 4.0643 4.0643 7.7578 7.7578 8.6537 8.6537 9.8490 9.8490 14.2711 14.2711 k = 0.3154 0.3154 0.3154 ( 2521 PWs) bands (ev): -6.3625 -6.3625 -6.2749 -6.2749 -5.9246 -5.9246 -4.1096 -4.1096 -4.0780 -4.0780 -4.0413 -4.0413 0.7559 0.7559 2.9799 2.9799 3.6485 3.6485 3.9897 3.9897 7.6636 7.6636 8.5483 8.5483 9.7694 9.7694 14.3151 14.3151 k = 0.3231 0.3231 0.3231 ( 2527 PWs) bands (ev): -6.3587 -6.3587 -6.2747 -6.2747 -5.9126 -5.9126 -4.1111 -4.1111 -4.0768 -4.0768 -4.0412 -4.0412 0.8114 0.8114 2.9668 2.9668 3.6400 3.6400 3.9192 3.9192 7.5700 7.5700 8.4452 8.4452 9.6717 9.6717 14.3854 14.3854 k = 0.3308 0.3308 0.3308 ( 2533 PWs) bands (ev): -6.3546 -6.3546 -6.2746 -6.2746 -5.9012 -5.9012 -4.1128 -4.1128 -4.0756 -4.0756 -4.0413 -4.0413 0.8695 0.8695 2.9538 2.9538 3.6329 3.6329 3.8533 3.8533 7.4773 7.4773 8.3444 8.3444 9.5582 9.5582 14.4793 14.4793 k = 0.3385 0.3385 0.3385 ( 2527 PWs) bands (ev): -6.3503 -6.3503 -6.2745 -6.2745 -5.8904 -5.8904 -4.1146 -4.1146 -4.0745 -4.0745 -4.0417 -4.0417 0.9299 0.9299 2.9408 2.9408 3.6271 3.6271 3.7925 3.7925 7.3857 7.3857 8.2462 8.2462 9.4314 9.4314 14.5941 14.5941 k = 0.3462 0.3462 0.3462 ( 2521 PWs) bands (ev): -6.3459 -6.3459 -6.2744 -6.2744 -5.8803 -5.8803 -4.1165 -4.1165 -4.0734 -4.0734 -4.0424 -4.0424 0.9922 0.9922 2.9278 2.9278 3.6225 3.6225 3.7372 3.7372 7.2955 7.2955 8.1508 8.1508 9.2938 9.2938 14.7269 14.7269 k = 0.3538 0.3538 0.3538 ( 2509 PWs) bands (ev): -6.3412 -6.3412 -6.2742 -6.2742 -5.8707 -5.8707 -4.1185 -4.1185 -4.0723 -4.0723 -4.0434 -4.0434 1.0560 1.0560 2.9147 2.9147 3.6191 3.6191 3.6878 3.6878 7.2069 7.2069 8.0584 8.0584 9.1479 9.1479 14.8750 14.8750 k = 0.3615 0.3615 0.3615 ( 2515 PWs) bands (ev): -6.3365 -6.3365 -6.2742 -6.2742 -5.8618 -5.8618 -4.1208 -4.1208 -4.0713 -4.0713 -4.0445 -4.0445 1.1208 1.1208 2.9015 2.9015 3.6168 3.6168 3.6446 3.6446 7.1200 7.1200 7.9692 7.9692 8.9963 8.9963 15.0358 15.0358 k = 0.3692 0.3692 0.3692 ( 2518 PWs) bands (ev): -6.3316 -6.3316 -6.2741 -6.2741 -5.8535 -5.8535 -4.1232 -4.1232 -4.0704 -4.0704 -4.0459 -4.0459 1.1862 1.1862 2.8882 2.8882 3.6077 3.6077 3.6155 3.6155 7.0350 7.0350 7.8834 7.8834 8.8408 8.8408 15.2069 15.2069 k = 0.3769 0.3769 0.3769 ( 2524 PWs) bands (ev): -6.3267 -6.3267 -6.2740 -6.2740 -5.8459 -5.8459 -4.1257 -4.1257 -4.0695 -4.0695 -4.0473 -4.0473 1.2515 1.2515 2.8752 2.8752 3.5773 3.5773 3.6152 3.6152 6.9521 6.9521 7.8011 7.8011 8.6837 8.6837 15.3860 15.3860 k = 0.3846 0.3846 0.3846 ( 2527 PWs) bands (ev): -6.3217 -6.3217 -6.2740 -6.2740 -5.8387 -5.8387 -4.1284 -4.1284 -4.0687 -4.0687 -4.0489 -4.0489 1.3161 1.3161 2.8626 2.8626 3.5533 3.5533 3.6158 3.6158 6.8712 6.8712 7.7226 7.7226 8.5265 8.5265 15.5711 15.5711 k = 0.3923 0.3923 0.3923 ( 2521 PWs) bands (ev): -6.3167 -6.3167 -6.2739 -6.2739 -5.8322 -5.8322 -4.1313 -4.1313 -4.0679 -4.0679 -4.0504 -4.0504 1.3792 1.3792 2.8509 2.8509 3.5357 3.5357 3.6171 3.6171 6.7924 6.7924 7.6480 7.6480 8.3711 8.3711 15.7601 15.7601 k = 0.4000 0.4000 0.4000 ( 2515 PWs) bands (ev): -6.3118 -6.3118 -6.2738 -6.2738 -5.8262 -5.8262 -4.1343 -4.1343 -4.0672 -4.0672 -4.0520 -4.0520 1.4401 1.4401 2.8405 2.8405 3.5241 3.5241 3.6191 3.6191 6.7158 6.7158 7.5775 7.5775 8.2190 8.2190 15.9507 15.9507 k = 0.4077 0.4077 0.4077 ( 2515 PWs) bands (ev): -6.3070 -6.3070 -6.2738 -6.2738 -5.8207 -5.8207 -4.1373 -4.1373 -4.0666 -4.0666 -4.0535 -4.0535 1.4980 1.4980 2.8318 2.8318 3.5183 3.5183 3.6216 3.6216 6.6414 6.6414 7.5113 7.5113 8.0717 8.0717 16.1406 16.1406 k = 0.4154 0.4154 0.4154 ( 2527 PWs) bands (ev): -6.3024 -6.3024 -6.2738 -6.2738 -5.8158 -5.8158 -4.1405 -4.1405 -4.0660 -4.0660 -4.0549 -4.0549 1.5523 1.5523 2.8251 2.8251 3.5179 3.5179 3.6245 3.6245 6.5693 6.5693 7.4495 7.4495 7.9305 7.9305 16.3271 16.3271 k = 0.4231 0.4231 0.4231 ( 2527 PWs) bands (ev): -6.2979 -6.2979 -6.2737 -6.2737 -5.8114 -5.8114 -4.1436 -4.1436 -4.0654 -4.0654 -4.0563 -4.0563 1.6022 1.6022 2.8207 2.8207 3.5224 3.5224 3.6278 3.6278 6.4996 6.4996 7.3924 7.3924 7.7971 7.7971 16.5074 16.5074 k = 0.4308 0.4308 0.4308 ( 2527 PWs) bands (ev): -6.2937 -6.2937 -6.2737 -6.2737 -5.8074 -5.8074 -4.1467 -4.1467 -4.0649 -4.0649 -4.0575 -4.0575 1.6471 1.6471 2.8186 2.8186 3.5313 3.5313 3.6311 3.6311 6.4325 6.4325 7.3402 7.3402 7.6725 7.6725 16.6780 16.6780 k = 0.4385 0.4385 0.4385 ( 2521 PWs) bands (ev): -6.2898 -6.2898 -6.2737 -6.2737 -5.8039 -5.8039 -4.1496 -4.1496 -4.0645 -4.0645 -4.0586 -4.0586 1.6868 1.6868 2.8188 2.8188 3.5440 3.5440 3.6346 3.6346 6.3683 6.3683 7.2929 7.2929 7.5583 7.5583 16.8360 16.8360 k = 0.4462 0.4462 0.4462 ( 2515 PWs) bands (ev): -6.2862 -6.2862 -6.2736 -6.2736 -5.8009 -5.8009 -4.1524 -4.1524 -4.0640 -4.0640 -4.0596 -4.0596 1.7210 1.7210 2.8208 2.8208 3.5595 3.5595 3.6379 3.6379 6.3075 6.3075 7.2507 7.2507 7.4554 7.4554 16.9790 16.9790 k = 0.4538 0.4538 0.4538 ( 2518 PWs) bands (ev): -6.2830 -6.2830 -6.2736 -6.2736 -5.7983 -5.7983 -4.1549 -4.1549 -4.0637 -4.0637 -4.0605 -4.0605 1.7497 1.7497 2.8243 2.8243 3.5769 3.5769 3.6411 3.6411 6.2508 6.2508 7.2139 7.2139 7.3649 7.3649 17.1055 17.1055 k = 0.4615 0.4615 0.4615 ( 2512 PWs) bands (ev): -6.2802 -6.2802 -6.2736 -6.2736 -5.7961 -5.7961 -4.1572 -4.1572 -4.0634 -4.0634 -4.0612 -4.0612 1.7732 1.7732 2.8286 2.8286 3.5951 3.5951 3.6440 3.6440 6.1994 6.1994 7.1825 7.1825 7.2876 7.2876 17.2147 17.2147 k = 0.4692 0.4692 0.4692 ( 2512 PWs) bands (ev): -6.2778 -6.2778 -6.2736 -6.2736 -5.7944 -5.7944 -4.1591 -4.1591 -4.0632 -4.0632 -4.0618 -4.0618 1.7917 1.7917 2.8331 2.8331 3.6127 3.6127 3.6465 3.6465 6.1545 6.1545 7.1566 7.1566 7.2239 7.2239 17.3061 17.3061 k = 0.4769 0.4769 0.4769 ( 2512 PWs) bands (ev): -6.2760 -6.2760 -6.2736 -6.2736 -5.7930 -5.7930 -4.1607 -4.1607 -4.0630 -4.0630 -4.0622 -4.0622 1.8055 1.8055 2.8372 2.8372 3.6283 3.6283 3.6485 3.6485 6.1175 6.1175 7.1363 7.1363 7.1742 7.1742 17.3787 17.3787 k = 0.4846 0.4846 0.4846 ( 2512 PWs) bands (ev): -6.2747 -6.2747 -6.2736 -6.2736 -5.7921 -5.7921 -4.1618 -4.1618 -4.0629 -4.0629 -4.0625 -4.0625 1.8151 1.8151 2.8406 2.8406 3.6407 3.6407 3.6500 3.6500 6.0898 6.0898 7.1218 7.1218 7.1386 7.1386 17.4317 17.4317 k = 0.4923 0.4923 0.4923 ( 2512 PWs) bands (ev): -6.2738 -6.2738 -6.2736 -6.2736 -5.7915 -5.7915 -4.1625 -4.1625 -4.0628 -4.0628 -4.0627 -4.0627 1.8208 1.8208 2.8427 2.8427 3.6486 3.6486 3.6510 3.6510 6.0726 6.0726 7.1131 7.1131 7.1173 7.1173 17.4640 17.4640 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -6.2736 -6.2736 -6.2736 -6.2736 -5.7913 -5.7913 -4.1628 -4.1628 -4.0628 -4.0628 -4.0628 -4.0628 1.8226 1.8226 2.8435 2.8435 3.6513 3.6513 3.6513 3.6513 6.0668 6.0668 7.1102 7.1102 7.1102 7.1102 17.4748 17.4748 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -6.2736 -6.2736 -6.2736 -6.2736 -5.7913 -5.7913 -4.1628 -4.1628 -4.0628 -4.0628 -4.0628 -4.0628 1.8226 1.8226 2.8435 2.8435 3.6513 3.6513 3.6513 3.6513 6.0668 6.0668 7.1102 7.1102 7.1102 7.1102 17.4748 17.4748 k = 0.4906 0.5000 0.4906 ( 2512 PWs) bands (ev): -6.2738 -6.2738 -6.2736 -6.2736 -5.7915 -5.7915 -4.1625 -4.1625 -4.0628 -4.0628 -4.0627 -4.0627 1.8208 1.8208 2.8427 2.8427 3.6483 3.6483 3.6512 3.6512 6.0726 6.0726 7.1134 7.1134 7.1170 7.1170 17.4639 17.4639 k = 0.4811 0.5000 0.4811 ( 2512 PWs) bands (ev): -6.2747 -6.2747 -6.2736 -6.2736 -5.7921 -5.7921 -4.1618 -4.1618 -4.0630 -4.0630 -4.0625 -4.0625 1.8152 1.8152 2.8405 2.8405 3.6395 3.6395 3.6512 3.6512 6.0899 6.0899 7.1230 7.1230 7.1375 7.1375 17.4312 17.4312 k = 0.4717 0.5000 0.4717 ( 2512 PWs) bands (ev): -6.2760 -6.2760 -6.2736 -6.2736 -5.7930 -5.7930 -4.1607 -4.1607 -4.0632 -4.0632 -4.0621 -4.0621 1.8056 1.8056 2.8370 2.8370 3.6254 3.6254 3.6512 3.6512 6.1179 6.1179 7.1391 7.1391 7.1716 7.1716 17.3768 17.3768 k = 0.4623 0.5000 0.4623 ( 2512 PWs) bands (ev): -6.2778 -6.2778 -6.2736 -6.2736 -5.7944 -5.7944 -4.1591 -4.1591 -4.0635 -4.0635 -4.0615 -4.0615 1.7921 1.7921 2.8324 2.8324 3.6071 3.6071 3.6516 3.6516 6.1555 6.1555 7.1617 7.1617 7.2189 7.2189 17.3008 17.3008 k = 0.4528 0.5000 0.4528 ( 2514 PWs) bands (ev): -6.2802 -6.2802 -6.2736 -6.2736 -5.7961 -5.7961 -4.1572 -4.1572 -4.0639 -4.0639 -4.0607 -4.0607 1.7742 1.7742 2.8271 2.8271 3.5854 3.5854 3.6527 3.6527 6.2015 6.2015 7.1911 7.1911 7.2791 7.2791 17.2038 17.2038 k = 0.4434 0.5000 0.4434 ( 2504 PWs) bands (ev): -6.2830 -6.2830 -6.2736 -6.2736 -5.7982 -5.7982 -4.1548 -4.1548 -4.0643 -4.0643 -4.0598 -4.0598 1.7517 1.7517 2.8214 2.8214 3.5617 3.5617 3.6547 3.6547 6.2542 6.2542 7.2273 7.2273 7.3519 7.3519 17.0868 17.0868 k = 0.4340 0.5000 0.4340 ( 2516 PWs) bands (ev): -6.2863 -6.2863 -6.2737 -6.2737 -5.8007 -5.8007 -4.1522 -4.1522 -4.0649 -4.0649 -4.0588 -4.0588 1.7245 1.7245 2.8158 2.8158 3.5369 3.5369 3.6579 3.6579 6.3123 6.3123 7.2703 7.2703 7.4366 7.4366 16.9514 16.9514 k = 0.4245 0.5000 0.4245 ( 2520 PWs) bands (ev): -6.2899 -6.2899 -6.2737 -6.2737 -5.8036 -5.8036 -4.1494 -4.1494 -4.0655 -4.0655 -4.0576 -4.0576 1.6922 1.6922 2.8107 2.8107 3.5122 3.5122 3.6627 3.6627 6.3743 6.3743 7.3204 7.3204 7.5328 7.5328 16.8001 16.8001 k = 0.4151 0.5000 0.4151 ( 2516 PWs) bands (ev): -6.2940 -6.2940 -6.2738 -6.2738 -5.8068 -5.8068 -4.1463 -4.1463 -4.0662 -4.0662 -4.0562 -4.0562 1.6550 1.6550 2.8068 2.8068 3.4885 3.4885 3.6694 3.6694 6.4391 6.4391 7.3774 7.3774 7.6397 7.6397 16.6360 16.6360 k = 0.4057 0.5000 0.4057 ( 2524 PWs) bands (ev): -6.2983 -6.2983 -6.2738 -6.2738 -5.8105 -5.8105 -4.1431 -4.1431 -4.0670 -4.0670 -4.0546 -4.0546 1.6127 1.6127 2.8043 2.8043 3.4667 3.4667 3.6780 3.6780 6.5057 6.5057 7.4412 7.4412 7.7567 7.7567 16.4622 16.4622 k = 0.3962 0.5000 0.3962 ( 2524 PWs) bands (ev): -6.3029 -6.3029 -6.2739 -6.2739 -5.8146 -5.8146 -4.1398 -4.1398 -4.0679 -4.0679 -4.0530 -4.0530 1.5657 1.5657 2.8036 2.8036 3.4473 3.4473 3.6888 3.6888 6.5733 6.5733 7.5115 7.5115 7.8830 7.8830 16.2818 16.2818 k = 0.3868 0.5000 0.3868 ( 2524 PWs) bands (ev): -6.3078 -6.3078 -6.2740 -6.2740 -5.8190 -5.8190 -4.1365 -4.1365 -4.0689 -4.0689 -4.0512 -4.0512 1.5140 1.5140 2.8051 2.8051 3.4309 3.4309 3.7019 3.7019 6.6415 6.6415 7.5879 7.5879 8.0177 8.0177 16.0974 16.0974 k = 0.3774 0.5000 0.3774 ( 2520 PWs) bands (ev): -6.3128 -6.3128 -6.2740 -6.2740 -5.8238 -5.8238 -4.1332 -4.1332 -4.0699 -4.0699 -4.0493 -4.0493 1.4582 1.4582 2.8088 2.8088 3.4181 3.4181 3.7173 3.7173 6.7099 6.7099 7.6699 7.6699 8.1602 8.1602 15.9115 15.9115 k = 0.3679 0.5000 0.3679 ( 2524 PWs) bands (ev): -6.3180 -6.3180 -6.2741 -6.2741 -5.8291 -5.8291 -4.1299 -4.1299 -4.0710 -4.0710 -4.0473 -4.0473 1.3987 1.3987 2.8147 2.8147 3.4092 3.4092 3.7350 3.7350 6.7785 6.7785 7.7567 7.7567 8.3096 8.3096 15.7257 15.7257 k = 0.3585 0.5000 0.3585 ( 2524 PWs) bands (ev): -6.3232 -6.3232 -6.2742 -6.2742 -5.8347 -5.8347 -4.1267 -4.1267 -4.0721 -4.0721 -4.0453 -4.0453 1.3361 1.3361 2.8230 2.8230 3.4046 3.4046 3.7551 3.7551 6.8472 6.8472 7.8474 7.8474 8.4650 8.4650 15.5420 15.5420 k = 0.3491 0.5000 0.3491 ( 2520 PWs) bands (ev): -6.3285 -6.3285 -6.2743 -6.2743 -5.8407 -5.8407 -4.1237 -4.1237 -4.0733 -4.0733 -4.0432 -4.0432 1.2708 1.2708 2.8335 2.8335 3.4044 3.4044 3.7774 3.7774 6.9162 6.9162 7.9412 7.9412 8.6258 8.6258 15.3616 15.3616 k = 0.3396 0.5000 0.3396 ( 2532 PWs) bands (ev): -6.3338 -6.3338 -6.2745 -6.2745 -5.8471 -5.8471 -4.1208 -4.1208 -4.0746 -4.0746 -4.0413 -4.0413 1.2034 1.2034 2.8461 2.8461 3.4089 3.4089 3.8020 3.8020 6.9854 6.9854 8.0370 8.0370 8.7911 8.7911 15.1859 15.1859 k = 0.3302 0.5000 0.3302 ( 2528 PWs) bands (ev): -6.3390 -6.3390 -6.2746 -6.2746 -5.8539 -5.8539 -4.1180 -4.1180 -4.0760 -4.0760 -4.0394 -4.0394 1.1345 1.1345 2.8609 2.8609 3.4183 3.4183 3.8287 3.8287 7.0552 7.0552 8.1337 8.1337 8.9600 8.9600 15.0164 15.0164 k = 0.3208 0.5000 0.3208 ( 2532 PWs) bands (ev): -6.3441 -6.3441 -6.2748 -6.2748 -5.8611 -5.8611 -4.1153 -4.1153 -4.0774 -4.0774 -4.0376 -4.0376 1.0646 1.0646 2.8777 2.8777 3.4325 3.4325 3.8576 3.8576 7.1255 7.1255 8.2300 8.2300 9.1317 9.1317 14.8542 14.8542 k = 0.3113 0.5000 0.3113 ( 2528 PWs) bands (ev): -6.3490 -6.3490 -6.2749 -6.2749 -5.8687 -5.8687 -4.1129 -4.1129 -4.0788 -4.0788 -4.0360 -4.0360 0.9940 0.9940 2.8967 2.8967 3.4514 3.4514 3.8884 3.8884 7.1965 7.1965 8.3248 8.3248 9.3053 9.3053 14.7008 14.7008 k = 0.3019 0.5000 0.3019 ( 2540 PWs) bands (ev): -6.3537 -6.3537 -6.2751 -6.2751 -5.8767 -5.8767 -4.1105 -4.1105 -4.0804 -4.0804 -4.0347 -4.0347 0.9232 0.9232 2.9177 2.9177 3.4752 3.4752 3.9213 3.9213 7.2682 7.2682 8.4167 8.4167 9.4797 9.4797 14.5575 14.5575 k = 0.2925 0.5000 0.2925 ( 2532 PWs) bands (ev): -6.3582 -6.3582 -6.2753 -6.2753 -5.8850 -5.8850 -4.1083 -4.1083 -4.0819 -4.0819 -4.0336 -4.0336 0.8526 0.8526 2.9409 2.9409 3.5035 3.5035 3.9560 3.9560 7.3407 7.3407 8.5043 8.5043 9.6539 9.6539 14.4257 14.4257 k = 0.2830 0.5000 0.2830 ( 2536 PWs) bands (ev): -6.3624 -6.3624 -6.2755 -6.2755 -5.8938 -5.8938 -4.1063 -4.1063 -4.0835 -4.0835 -4.0328 -4.0328 0.7825 0.7825 2.9664 2.9664 3.5362 3.5362 3.9925 3.9925 7.4138 7.4138 8.5862 8.5862 9.8266 9.8266 14.3071 14.3071 k = 0.2736 0.5000 0.2736 ( 2538 PWs) bands (ev): -6.3662 -6.3662 -6.2757 -6.2757 -5.9029 -5.9029 -4.1044 -4.1044 -4.0851 -4.0851 -4.0323 -4.0323 0.7132 0.7132 2.9942 2.9942 3.5731 3.5731 4.0307 4.0307 7.4874 7.4874 8.6611 8.6611 9.9961 9.9961 14.2030 14.2030 k = 0.2642 0.5000 0.2642 ( 2538 PWs) bands (ev): -6.3697 -6.3697 -6.2759 -6.2759 -5.9124 -5.9124 -4.1027 -4.1027 -4.0867 -4.0867 -4.0321 -4.0321 0.6450 0.6450 3.0245 3.0245 3.6139 3.6139 4.0706 4.0706 7.5613 7.5613 8.7276 8.7276 10.1609 10.1609 14.1151 14.1151 k = 0.2547 0.5000 0.2547 ( 2534 PWs) bands (ev): -6.3728 -6.3728 -6.2761 -6.2761 -5.9222 -5.9222 -4.1011 -4.1011 -4.0884 -4.0884 -4.0323 -4.0323 0.5780 0.5780 3.0573 3.0573 3.6584 3.6584 4.1121 4.1121 7.6351 7.6351 8.7844 8.7844 10.3187 10.3187 14.0445 14.0445 k = 0.2453 0.5000 0.2453 ( 2534 PWs) bands (ev): -6.3755 -6.3755 -6.2764 -6.2764 -5.9324 -5.9324 -4.0996 -4.0996 -4.0899 -4.0899 -4.0328 -4.0328 0.5125 0.5125 3.0927 3.0927 3.7063 3.7063 4.1550 4.1550 7.7084 7.7084 8.8308 8.8308 10.4673 10.4673 13.9921 13.9921 k = 0.2358 0.5000 0.2358 ( 2542 PWs) bands (ev): -6.3777 -6.3777 -6.2766 -6.2766 -5.9429 -5.9429 -4.0985 -4.0985 -4.0914 -4.0914 -4.0337 -4.0337 0.4486 0.4486 3.1307 3.1307 3.7573 3.7573 4.1994 4.1994 7.7805 7.7805 8.8661 8.8661 10.6038 10.6038 13.9568 13.9568 k = 0.2264 0.5000 0.2264 ( 2542 PWs) bands (ev): -6.3795 -6.3795 -6.2769 -6.2769 -5.9537 -5.9537 -4.0979 -4.0979 -4.0924 -4.0924 -4.0349 -4.0349 0.3865 0.3865 3.1713 3.1713 3.8112 3.8112 4.2452 4.2452 7.8504 7.8504 8.8905 8.8905 10.7252 10.7252 13.9117 13.9117 k = 0.2170 0.5000 0.2170 ( 2536 PWs) bands (ev): -6.3807 -6.3807 -6.2771 -6.2771 -5.9649 -5.9649 -4.0982 -4.0982 -4.0926 -4.0926 -4.0364 -4.0364 0.3264 0.3264 3.2145 3.2145 3.8676 3.8676 4.2922 4.2922 7.9169 7.9169 8.9047 8.9047 10.8285 10.8285 13.7896 13.7896 k = 0.2075 0.5000 0.2075 ( 2536 PWs) bands (ev): -6.3814 -6.3814 -6.2773 -6.2773 -5.9763 -5.9763 -4.0993 -4.0993 -4.0921 -4.0921 -4.0383 -4.0383 0.2683 0.2683 3.2602 3.2602 3.9265 3.9265 4.3405 4.3405 7.9779 7.9779 8.9105 8.9105 10.9109 10.9109 13.6529 13.6529 k = 0.1981 0.5000 0.1981 ( 2544 PWs) bands (ev): -6.3816 -6.3816 -6.2776 -6.2776 -5.9880 -5.9880 -4.1008 -4.1008 -4.0912 -4.0912 -4.0404 -4.0404 0.2124 0.2124 3.3082 3.3082 3.9874 3.9874 4.3899 4.3899 8.0309 8.0309 8.9108 8.9108 10.9702 10.9702 13.5173 13.5173 k = 0.1887 0.5000 0.1887 ( 2540 PWs) bands (ev): -6.3812 -6.3812 -6.2779 -6.2779 -5.9999 -5.9999 -4.1025 -4.1025 -4.0903 -4.0903 -4.0427 -4.0427 0.1587 0.1587 3.3585 3.3585 4.0501 4.0501 4.4403 4.4403 8.0725 8.0725 8.9094 8.9094 11.0055 11.0055 13.3847 13.3847 k = 0.1792 0.5000 0.1792 ( 2540 PWs) bands (ev): -6.3803 -6.3803 -6.2781 -6.2781 -6.0121 -6.0121 -4.1043 -4.1043 -4.0894 -4.0894 -4.0452 -4.0452 0.1073 0.1073 3.4108 3.4108 4.1143 4.1143 4.4917 4.4917 8.0987 8.0987 8.9113 8.9113 11.0172 11.0172 13.2558 13.2558 k = 0.1698 0.5000 0.1698 ( 2556 PWs) bands (ev): -6.3788 -6.3788 -6.2784 -6.2784 -6.0245 -6.0245 -4.1062 -4.1062 -4.0885 -4.0885 -4.0479 -4.0479 0.0583 0.0583 3.4648 3.4648 4.1798 4.1798 4.5440 4.5440 8.1057 8.1057 8.9212 8.9212 11.0070 11.0070 13.1310 13.1310 k = 0.1604 0.5000 0.1604 ( 2552 PWs) bands (ev): -6.3768 -6.3768 -6.2787 -6.2787 -6.0370 -6.0370 -4.1080 -4.1080 -4.0877 -4.0877 -4.0506 -4.0506 0.0117 0.0117 3.5202 3.5202 4.2464 4.2464 4.5970 4.5970 8.0912 8.0912 8.9421 8.9421 10.9778 10.9778 13.0108 13.0108 k = 0.1509 0.5000 0.1509 ( 2538 PWs) bands (ev): -6.3741 -6.3741 -6.2789 -6.2789 -6.0497 -6.0497 -4.1098 -4.1098 -4.0869 -4.0869 -4.0535 -4.0535 -0.0324 -0.0324 3.5767 3.5767 4.3137 4.3137 4.6507 4.6507 8.0557 8.0557 8.9749 8.9749 10.9331 10.9331 12.8954 12.8954 k = 0.1415 0.5000 0.1415 ( 2538 PWs) bands (ev): -6.3708 -6.3708 -6.2791 -6.2791 -6.0625 -6.0625 -4.1117 -4.1117 -4.0862 -4.0862 -4.0563 -4.0563 -0.0739 -0.0739 3.6338 3.6338 4.3816 4.3816 4.7048 4.7048 8.0016 8.0016 9.0178 9.0178 10.8767 10.8767 12.7851 12.7851 k = 0.1321 0.5000 0.1321 ( 2534 PWs) bands (ev): -6.3670 -6.3670 -6.2794 -6.2794 -6.0755 -6.0755 -4.1135 -4.1135 -4.0856 -4.0856 -4.0591 -4.0591 -0.1129 -0.1129 3.6912 3.6912 4.4498 4.4498 4.7592 4.7592 7.9325 7.9325 9.0680 9.0680 10.8122 10.8122 12.6803 12.6803 k = 0.1226 0.5000 0.1226 ( 2530 PWs) bands (ev): -6.3626 -6.3626 -6.2796 -6.2796 -6.0885 -6.0885 -4.1153 -4.1153 -4.0851 -4.0851 -4.0618 -4.0618 -0.1493 -0.1493 3.7481 3.7481 4.5179 4.5179 4.8136 4.8136 7.8522 7.8522 9.1223 9.1223 10.7432 10.7432 12.5811 12.5811 k = 0.1132 0.5000 0.1132 ( 2538 PWs) bands (ev): -6.3577 -6.3577 -6.2798 -6.2798 -6.1015 -6.1015 -4.1170 -4.1170 -4.0847 -4.0847 -4.0644 -4.0644 -0.1831 -0.1831 3.8042 3.8042 4.5858 4.5858 4.8678 4.8678 7.7638 7.7638 9.1779 9.1779 10.6729 10.6729 12.4880 12.4880 k = 0.1038 0.5000 0.1038 ( 2532 PWs) bands (ev): -6.3522 -6.3522 -6.2800 -6.2800 -6.1145 -6.1145 -4.1187 -4.1187 -4.0845 -4.0845 -4.0667 -4.0667 -0.2142 -0.2142 3.8587 3.8587 4.6532 4.6532 4.9214 4.9214 7.6701 7.6701 9.2320 9.2320 10.6042 10.6042 12.4011 12.4011 k = 0.0943 0.5000 0.0943 ( 2532 PWs) bands (ev): -6.3461 -6.3461 -6.2802 -6.2802 -6.1275 -6.1275 -4.1203 -4.1203 -4.0845 -4.0845 -4.0688 -4.0688 -0.2427 -0.2427 3.9111 3.9111 4.7196 4.7196 4.9740 4.9740 7.5736 7.5736 9.2825 9.2825 10.5399 10.5399 12.3207 12.3207 k = 0.0849 0.5000 0.0849 ( 2540 PWs) bands (ev): -6.3396 -6.3396 -6.2803 -6.2803 -6.1405 -6.1405 -4.1218 -4.1218 -4.0846 -4.0846 -4.0705 -4.0705 -0.2685 -0.2685 3.9608 3.9608 4.7846 4.7846 5.0252 5.0252 7.4763 7.4763 9.3273 9.3273 10.4824 10.4824 12.2471 12.2471 k = 0.0755 0.5000 0.0755 ( 2548 PWs) bands (ev): -6.3326 -6.3326 -6.2805 -6.2805 -6.1533 -6.1533 -4.1233 -4.1233 -4.0850 -4.0850 -4.0719 -4.0719 -0.2916 -0.2916 4.0070 4.0070 4.8475 4.8475 5.0745 5.0745 7.3802 7.3802 9.3646 9.3646 10.4337 10.4337 12.1806 12.1806 k = 0.0660 0.5000 0.0660 ( 2550 PWs) bands (ev): -6.3251 -6.3251 -6.2805 -6.2805 -6.1659 -6.1659 -4.1246 -4.1246 -4.0855 -4.0855 -4.0730 -4.0730 -0.3120 -0.3120 4.0492 4.0492 4.9075 4.9075 5.1214 5.1214 7.2872 7.2872 9.3934 9.3934 10.3950 10.3950 12.1212 12.1212 k = 0.0566 0.5000 0.0566 ( 2546 PWs) bands (ev): -6.3173 -6.3173 -6.2806 -6.2806 -6.1783 -6.1783 -4.1258 -4.1258 -4.0861 -4.0861 -4.0737 -4.0737 -0.3297 -0.3297 4.0869 4.0869 4.9634 4.9634 5.1654 5.1654 7.1994 7.1994 9.4134 9.4134 10.3668 10.3668 12.0693 12.0693 k = 0.0472 0.5000 0.0472 ( 2546 PWs) bands (ev): -6.3093 -6.3093 -6.2804 -6.2804 -6.1903 -6.1903 -4.1268 -4.1268 -4.0869 -4.0869 -4.0742 -4.0742 -0.3446 -0.3446 4.1196 4.1196 5.0139 5.0139 5.2058 5.2058 7.1189 7.1189 9.4253 9.4253 10.3483 10.3483 12.0250 12.0250 k = 0.0377 0.5000 0.0377 ( 2546 PWs) bands (ev): -6.3012 -6.3012 -6.2801 -6.2801 -6.2019 -6.2019 -4.1277 -4.1277 -4.0875 -4.0875 -4.0746 -4.0746 -0.3569 -0.3569 4.1469 4.1469 5.0576 5.0576 5.2417 5.2417 7.0480 7.0480 9.4307 9.4307 10.3377 10.3377 11.9886 11.9886 k = 0.0283 0.5000 0.0283 ( 2554 PWs) bands (ev): -6.2937 -6.2937 -6.2792 -6.2792 -6.2128 -6.2128 -4.1284 -4.1284 -4.0881 -4.0881 -4.0748 -4.0748 -0.3665 -0.3665 4.1685 4.1685 5.0930 5.0930 5.2720 5.2720 6.9892 6.9892 9.4317 9.4317 10.3329 10.3329 11.9601 11.9601 k = 0.0189 0.5000 0.0189 ( 2560 PWs) bands (ev): -6.2881 -6.2881 -6.2768 -6.2768 -6.2226 -6.2226 -4.1289 -4.1289 -4.0886 -4.0886 -4.0749 -4.0749 -0.3733 -0.3733 4.1840 4.1840 5.1190 5.1190 5.2954 5.2954 6.9449 6.9449 9.4307 9.4307 10.3315 10.3315 11.9396 11.9396 k = 0.0094 0.5000 0.0094 ( 2560 PWs) bands (ev): -6.2856 -6.2856 -6.2730 -6.2730 -6.2301 -6.2301 -4.1292 -4.1292 -4.0889 -4.0889 -4.0749 -4.0749 -0.3774 -0.3774 4.1934 4.1934 5.1349 5.1349 5.3102 5.3102 6.9173 6.9173 9.4292 9.4292 10.3315 10.3315 11.9273 11.9273 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -6.2850 -6.2850 -6.2709 -6.2709 -6.2332 -6.2332 -4.1293 -4.1293 -4.0890 -4.0890 -4.0750 -4.0750 -0.3787 -0.3787 4.1966 4.1966 5.1403 5.1403 5.3153 5.3153 6.9079 6.9079 9.4286 9.4286 10.3316 10.3316 11.9232 11.9232 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -6.4407 -6.4407 -6.2786 -6.2786 -5.8582 -5.8582 -4.1049 -4.1049 -4.0637 -4.0637 -3.9851 -3.9851 1.0646 1.0646 2.1299 2.1299 2.4615 2.4615 4.9554 4.9554 9.3371 9.3371 10.1656 10.1656 11.4601 11.4601 12.0861 12.0861 k = 0.5000 0.5000 0.0132 ( 2544 PWs) bands (ev): -6.4404 -6.4404 -6.2786 -6.2786 -5.8581 -5.8581 -4.1049 -4.1049 -4.0638 -4.0638 -3.9853 -3.9853 1.0655 1.0655 2.1311 2.1311 2.4629 2.4629 4.9520 4.9520 9.3294 9.3294 10.1573 10.1573 11.4388 11.4388 12.0935 12.0935 k = 0.5000 0.5000 0.0263 ( 2536 PWs) bands (ev): -6.4395 -6.4395 -6.2785 -6.2785 -5.8579 -5.8579 -4.1047 -4.1047 -4.0642 -4.0642 -3.9857 -3.9857 1.0685 1.0685 2.1345 2.1345 2.4670 2.4670 4.9418 4.9418 9.3065 9.3065 10.1327 10.1327 11.3772 11.3772 12.1157 12.1157 k = 0.5000 0.5000 0.0395 ( 2520 PWs) bands (ev): -6.4380 -6.4380 -6.2785 -6.2785 -5.8576 -5.8576 -4.1043 -4.1043 -4.0648 -4.0648 -3.9864 -3.9864 1.0733 1.0733 2.1403 2.1403 2.4739 2.4739 4.9249 4.9249 9.2689 9.2689 10.0926 10.0926 11.2818 11.2818 12.1526 12.1526 k = 0.5000 0.5000 0.0526 ( 2528 PWs) bands (ev): -6.4360 -6.4360 -6.2784 -6.2784 -5.8571 -5.8571 -4.1039 -4.1039 -4.0657 -4.0657 -3.9874 -3.9874 1.0801 1.0801 2.1482 2.1482 2.4835 2.4835 4.9017 4.9017 9.2175 9.2175 10.0381 10.0381 11.1604 11.1604 12.2036 12.2036 k = 0.5000 0.5000 0.0658 ( 2536 PWs) bands (ev): -6.4334 -6.4334 -6.2783 -6.2783 -5.8565 -5.8565 -4.1033 -4.1033 -4.0668 -4.0668 -3.9887 -3.9887 1.0887 1.0887 2.1585 2.1585 2.4959 2.4959 4.8725 4.8725 9.1533 9.1533 9.9707 9.9707 11.0199 11.0199 12.2686 12.2686 k = 0.5000 0.5000 0.0789 ( 2528 PWs) bands (ev): -6.4302 -6.4302 -6.2782 -6.2782 -5.8558 -5.8558 -4.1025 -4.1025 -4.0682 -4.0682 -3.9903 -3.9903 1.0993 1.0993 2.1709 2.1709 2.5109 2.5109 4.8378 4.8378 9.0776 9.0776 9.8920 9.8920 10.8663 10.8663 12.3468 12.3468 k = 0.5000 0.5000 0.0921 ( 2528 PWs) bands (ev): -6.4265 -6.4265 -6.2780 -6.2780 -5.8550 -5.8550 -4.1017 -4.1017 -4.0698 -4.0698 -3.9921 -3.9921 1.1117 1.1117 2.1854 2.1854 2.5287 2.5287 4.7979 4.7979 8.9918 8.9918 9.8035 9.8035 10.7040 10.7040 12.4379 12.4379 k = 0.5000 0.5000 0.1053 ( 2536 PWs) bands (ev): -6.4224 -6.4224 -6.2779 -6.2779 -5.8540 -5.8540 -4.1008 -4.1008 -4.0716 -4.0716 -3.9942 -3.9942 1.1259 1.1259 2.2020 2.2020 2.5490 2.5490 4.7536 4.7536 8.8971 8.8971 9.7069 9.7069 10.5360 10.5360 12.5412 12.5412 k = 0.5000 0.5000 0.1184 ( 2536 PWs) bands (ev): -6.4177 -6.4177 -6.2777 -6.2777 -5.8529 -5.8529 -4.0997 -4.0997 -4.0737 -4.0737 -3.9964 -3.9964 1.1420 1.1420 2.2206 2.2206 2.5719 2.5719 4.7053 4.7053 8.7948 8.7948 9.6035 9.6035 10.3649 10.3649 12.6561 12.6561 k = 0.5000 0.5000 0.1316 ( 2540 PWs) bands (ev): -6.4127 -6.4127 -6.2776 -6.2776 -5.8516 -5.8516 -4.0985 -4.0985 -4.0760 -4.0760 -3.9989 -3.9989 1.1597 1.1597 2.2411 2.2411 2.5974 2.5974 4.6536 4.6536 8.6861 8.6861 9.4948 9.4948 10.1923 10.1923 12.7821 12.7821 k = 0.5000 0.5000 0.1447 ( 2540 PWs) bands (ev): -6.4072 -6.4072 -6.2774 -6.2774 -5.8502 -5.8502 -4.0973 -4.0973 -4.0785 -4.0785 -4.0016 -4.0016 1.1792 1.1792 2.2634 2.2634 2.6253 2.6253 4.5992 4.5992 8.5723 8.5723 9.3819 9.3819 10.0196 10.0196 12.9184 12.9184 k = 0.5000 0.5000 0.1579 ( 2532 PWs) bands (ev): -6.4014 -6.4014 -6.2771 -6.2771 -5.8486 -5.8486 -4.0959 -4.0959 -4.0812 -4.0812 -4.0044 -4.0044 1.2003 1.2003 2.2875 2.2875 2.6557 2.6557 4.5426 4.5426 8.4541 8.4541 9.2659 9.2659 9.8477 9.8477 13.0646 13.0646 k = 0.5000 0.5000 0.1711 ( 2524 PWs) bands (ev): -6.3952 -6.3952 -6.2769 -6.2769 -5.8469 -5.8469 -4.0944 -4.0944 -4.0841 -4.0841 -4.0073 -4.0073 1.2229 1.2229 2.3131 2.3131 2.6884 2.6884 4.4845 4.4845 8.3328 8.3328 9.1476 9.1476 9.6774 9.6774 13.2200 13.2200 k = 0.5000 0.5000 0.1842 ( 2532 PWs) bands (ev): -6.3888 -6.3888 -6.2767 -6.2767 -5.8450 -5.8450 -4.0929 -4.0929 -4.0873 -4.0873 -4.0104 -4.0104 1.2470 1.2470 2.3402 2.3402 2.7233 2.7233 4.4253 4.4253 8.2090 8.2090 9.0280 9.0280 9.5093 9.5093 13.3839 13.3839 k = 0.5000 0.5000 0.1974 ( 2532 PWs) bands (ev): -6.3822 -6.3822 -6.2765 -6.2765 -5.8430 -5.8430 -4.0913 -4.0913 -4.0906 -4.0906 -4.0136 -4.0136 1.2725 1.2725 2.3686 2.3686 2.7604 2.7604 4.3657 4.3657 8.0835 8.0835 8.9078 8.9078 9.3440 9.3440 13.5559 13.5559 k = 0.5000 0.5000 0.2105 ( 2536 PWs) bands (ev): -6.3755 -6.3755 -6.2763 -6.2763 -5.8409 -5.8409 -4.0942 -4.0942 -4.0897 -4.0897 -4.0168 -4.0168 1.2993 1.2993 2.3981 2.3981 2.7995 2.7995 4.3061 4.3061 7.9572 7.9572 8.7876 8.7876 9.1819 9.1819 13.7354 13.7354 k = 0.5000 0.5000 0.2237 ( 2528 PWs) bands (ev): -6.3685 -6.3685 -6.2760 -6.2760 -5.8385 -5.8385 -4.0978 -4.0978 -4.0880 -4.0880 -4.0201 -4.0201 1.3272 1.3272 2.4285 2.4285 2.8406 2.8406 4.2470 4.2470 7.8305 7.8305 8.6680 8.6680 9.0234 9.0234 13.9218 13.9218 k = 0.5000 0.5000 0.2368 ( 2528 PWs) bands (ev): -6.3616 -6.3616 -6.2758 -6.2758 -5.8361 -5.8361 -4.1016 -4.1016 -4.0863 -4.0863 -4.0234 -4.0234 1.3562 1.3562 2.4596 2.4596 2.8834 2.8834 4.1890 4.1890 7.7042 7.7042 8.5496 8.5496 8.8688 8.8688 14.1145 14.1145 k = 0.5000 0.5000 0.2500 ( 2528 PWs) bands (ev): -6.3546 -6.3546 -6.2756 -6.2756 -5.8335 -5.8335 -4.1056 -4.1056 -4.0845 -4.0845 -4.0266 -4.0266 1.3861 1.3861 2.4912 2.4912 2.9279 2.9279 4.1324 4.1324 7.5788 7.5788 8.4328 8.4328 8.7184 8.7184 14.3131 14.3131 k = 0.5000 0.5000 0.2632 ( 2528 PWs) bands (ev): -6.3476 -6.3476 -6.2754 -6.2754 -5.8308 -5.8308 -4.1097 -4.1097 -4.0828 -4.0828 -4.0299 -4.0299 1.4168 1.4168 2.5230 2.5230 2.9739 2.9739 4.0778 4.0778 7.4548 7.4548 8.3182 8.3182 8.5726 8.5726 14.5169 14.5169 k = 0.5000 0.5000 0.2763 ( 2520 PWs) bands (ev): -6.3407 -6.3407 -6.2752 -6.2752 -5.8280 -5.8280 -4.1138 -4.1138 -4.0810 -4.0810 -4.0330 -4.0330 1.4480 1.4480 2.5548 2.5548 3.0211 3.0211 4.0254 4.0254 7.3327 7.3327 8.2062 8.2062 8.4317 8.4317 14.7254 14.7254 k = 0.5000 0.5000 0.2895 ( 2520 PWs) bands (ev): -6.3340 -6.3340 -6.2750 -6.2750 -5.8251 -5.8251 -4.1180 -4.1180 -4.0793 -4.0793 -4.0361 -4.0361 1.4795 1.4795 2.5862 2.5862 3.0694 3.0694 3.9757 3.9757 7.2130 7.2130 8.0972 8.0972 8.2958 8.2958 14.9380 14.9380 k = 0.5000 0.5000 0.3026 ( 2512 PWs) bands (ev): -6.3274 -6.3274 -6.2748 -6.2748 -5.8222 -5.8222 -4.1222 -4.1222 -4.0776 -4.0776 -4.0390 -4.0390 1.5112 1.5112 2.6169 2.6169 3.1185 3.1185 3.9290 3.9290 7.0963 7.0963 7.9917 7.9917 8.1655 8.1655 15.1539 15.1539 k = 0.5000 0.5000 0.3158 ( 2524 PWs) bands (ev): -6.3211 -6.3211 -6.2747 -6.2747 -5.8192 -5.8192 -4.1264 -4.1264 -4.0759 -4.0759 -4.0419 -4.0419 1.5429 1.5429 2.6466 2.6466 3.1681 3.1681 3.8856 3.8856 6.9830 6.9830 7.8900 7.8900 8.0409 8.0409 15.3724 15.3724 k = 0.5000 0.5000 0.3289 ( 2516 PWs) bands (ev): -6.3150 -6.3150 -6.2745 -6.2745 -5.8162 -5.8162 -4.1305 -4.1305 -4.0743 -4.0743 -4.0446 -4.0446 1.5742 1.5742 2.6750 2.6750 3.2179 3.2179 3.8459 3.8459 6.8736 6.8736 7.7927 7.7927 7.9224 7.9224 15.5926 15.5926 k = 0.5000 0.5000 0.3421 ( 2516 PWs) bands (ev): -6.3092 -6.3092 -6.2744 -6.2744 -5.8132 -5.8132 -4.1346 -4.1346 -4.0728 -4.0728 -4.0472 -4.0472 1.6049 1.6049 2.7017 2.7017 3.2675 3.2675 3.8100 3.8100 6.7686 6.7686 7.7001 7.7001 7.8104 7.8104 15.8133 15.8133 k = 0.5000 0.5000 0.3553 ( 2512 PWs) bands (ev): -6.3038 -6.3038 -6.2742 -6.2742 -5.8103 -5.8103 -4.1385 -4.1385 -4.0713 -4.0713 -4.0496 -4.0496 1.6348 1.6348 2.7264 2.7264 3.3165 3.3165 3.7781 3.7781 6.6685 6.6685 7.6127 7.6127 7.7052 7.7052 16.0333 16.0333 k = 0.5000 0.5000 0.3684 ( 2520 PWs) bands (ev): -6.2988 -6.2988 -6.2741 -6.2741 -5.8075 -5.8075 -4.1423 -4.1423 -4.0699 -4.0699 -4.0518 -4.0518 1.6635 1.6635 2.7488 2.7488 3.3644 3.3644 3.7503 3.7503 6.5739 6.5739 7.5309 7.5309 7.6073 7.6073 16.2506 16.2506 k = 0.5000 0.5000 0.3816 ( 2520 PWs) bands (ev): -6.2941 -6.2941 -6.2740 -6.2740 -5.8047 -5.8047 -4.1459 -4.1459 -4.0686 -4.0686 -4.0538 -4.0538 1.6908 1.6908 2.7688 2.7688 3.4108 3.4108 3.7265 3.7265 6.4854 6.4854 7.4551 7.4551 7.5169 7.5169 16.4627 16.4627 k = 0.5000 0.5000 0.3947 ( 2528 PWs) bands (ev): -6.2899 -6.2899 -6.2739 -6.2739 -5.8022 -5.8022 -4.1492 -4.1492 -4.0675 -4.0675 -4.0557 -4.0557 1.7162 1.7162 2.7863 2.7863 3.4550 3.4550 3.7068 3.7068 6.4035 6.4035 7.3857 7.3857 7.4346 7.4346 16.6662 16.6662 k = 0.5000 0.5000 0.4079 ( 2512 PWs) bands (ev): -6.2861 -6.2861 -6.2738 -6.2738 -5.7998 -5.7998 -4.1522 -4.1522 -4.0664 -4.0664 -4.0573 -4.0573 1.7396 1.7396 2.8011 2.8011 3.4964 3.4964 3.6908 3.6908 6.3290 6.3290 7.3233 7.3233 7.3607 7.3607 16.8565 16.8565 k = 0.5000 0.5000 0.4211 ( 2516 PWs) bands (ev): -6.2828 -6.2828 -6.2738 -6.2738 -5.7977 -5.7977 -4.1549 -4.1549 -4.0655 -4.0655 -4.0588 -4.0588 1.7606 1.7606 2.8134 2.8134 3.5343 3.5343 3.6782 3.6782 6.2624 6.2624 7.2682 7.2682 7.2957 7.2957 17.0276 17.0276 k = 0.5000 0.5000 0.4342 ( 2508 PWs) bands (ev): -6.2800 -6.2800 -6.2737 -6.2737 -5.7958 -5.7958 -4.1572 -4.1572 -4.0646 -4.0646 -4.0600 -4.0600 1.7790 1.7790 2.8233 2.8233 3.5681 3.5681 3.6686 3.6686 6.2045 6.2045 7.2208 7.2208 7.2399 7.2399 17.1732 17.1732 k = 0.5000 0.5000 0.4474 ( 2512 PWs) bands (ev): -6.2777 -6.2777 -6.2736 -6.2736 -5.7942 -5.7942 -4.1592 -4.1592 -4.0640 -4.0640 -4.0610 -4.0610 1.7943 1.7943 2.8310 2.8310 3.5969 3.5969 3.6616 3.6616 6.1560 6.1560 7.1814 7.1814 7.1936 7.1936 17.2888 17.2888 k = 0.5000 0.5000 0.4605 ( 2512 PWs) bands (ev): -6.2759 -6.2759 -6.2736 -6.2736 -5.7930 -5.7930 -4.1607 -4.1607 -4.0635 -4.0635 -4.0618 -4.0618 1.8066 1.8066 2.8366 2.8366 3.6202 3.6202 3.6567 3.6567 6.1175 6.1175 7.1505 7.1505 7.1573 7.1573 17.3740 17.3740 k = 0.5000 0.5000 0.4737 ( 2512 PWs) bands (ev): -6.2746 -6.2746 -6.2736 -6.2736 -5.7921 -5.7921 -4.1619 -4.1619 -4.0631 -4.0631 -4.0623 -4.0623 1.8155 1.8155 2.8405 2.8405 3.6373 3.6373 3.6536 3.6536 6.0895 6.0895 7.1281 7.1281 7.1312 7.1312 17.4313 17.4313 k = 0.5000 0.5000 0.4868 ( 2512 PWs) bands (ev): -6.2738 -6.2738 -6.2736 -6.2736 -5.7915 -5.7915 -4.1625 -4.1625 -4.0629 -4.0629 -4.0627 -4.0627 1.8208 1.8208 2.8427 2.8427 3.6478 3.6478 3.6518 3.6518 6.0725 6.0725 7.1147 7.1147 7.1154 7.1154 17.4641 17.4641 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -6.2736 -6.2736 -6.2736 -6.2736 -5.7913 -5.7913 -4.1628 -4.1628 -4.0628 -4.0628 -4.0628 -4.0628 1.8226 1.8226 2.8435 2.8435 3.6513 3.6513 3.6513 3.6513 6.0668 6.0668 7.1102 7.1102 7.1102 7.1102 17.4748 17.4748 Writing output data file TlI.save init_run : 0.15s CPU 0.24s WALL ( 1 calls) electrons : 35.20s CPU 36.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 35.20s CPU 36.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 291 calls) cegterg : 32.18s CPU 32.74s WALL ( 334 calls) Called by sum_band: Called by *egterg: h_psi : 13.90s CPU 14.28s WALL ( 5292 calls) s_psi : 0.68s CPU 0.72s WALL ( 5292 calls) g_psi : 0.06s CPU 0.05s WALL ( 4667 calls) cdiaghg : 16.98s CPU 17.06s WALL ( 4958 calls) cegterg:over : 0.96s CPU 1.02s WALL ( 4667 calls) cegterg:upda : 0.76s CPU 0.80s WALL ( 4667 calls) cegterg:last : 0.34s CPU 0.38s WALL ( 765 calls) cdiaghg:chol : 0.86s CPU 0.86s WALL ( 4958 calls) cdiaghg:inve : 0.36s CPU 0.42s WALL ( 4958 calls) cdiaghg:para : 1.00s CPU 1.00s WALL ( 9916 calls) Called by h_psi: h_psi:vloc : 12.30s CPU 12.68s WALL ( 5292 calls) h_psi:vnl : 1.58s CPU 1.58s WALL ( 5292 calls) add_vuspsi : 0.85s CPU 0.89s WALL ( 5292 calls) General routines calbec : 0.72s CPU 0.68s WALL ( 5292 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.59s CPU 11.86s WALL ( 273012 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.12s WALL ( 582 calls) Parallel routines fft_scatter : 5.51s CPU 5.80s WALL ( 273035 calls) PWSCF : 42.64s CPU 50.85s WALL This run was terminated on: 11:19: 7 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=