Program PWSCF v.5.1.1 starts on 19Jul2015 at 23: 9:44 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Ti2H.save/ file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 21 6 2448 526 84 Max 61 22 7 2453 540 91 Sum 2893 1049 305 117617 25533 4139 bravais-lattice index = 14 lattice parameter (alat) = 7.9557 a.u. unit-cell volume = 503.5502 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.955746 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 H read from file: /home/autes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 H 1.00 1.00790 H( 1.00) Ti 12.00 47.86700 Ti( 1.00) 48 Sym. Ops., with inversion, found (36 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) f =( -0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -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 ) f =( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 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 ) f =( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) 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: E 1 3C2 -3C2 2 -2 4 -4 3 -3 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 6C4 7 8 15 16 12 11 8C3 17 19 20 18 24 21 22 23 i 25 3s_h-3s_h 26 -26 28 -28 27 -27 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 6S4 31 32 39 40 36 35 8S6 41 43 44 42 48 45 46 47 -E -1 -6C4 -7 -8 -15 -16 -12 -11 -8C3 -17 -19 -20 -18 -24 -21 -22 -23 -i -25 -6S4 -31 -32 -39 -40 -36 -35 -8S6 -41 -43 -44 -42 -48 -45 -46 -47 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: 117617 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 25533 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 144, 60) NL pseudopotentials 0.15 Mb ( 72, 140) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2450) G-vector shells 0.00 Mb ( 570) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 144, 240) Each subspace H/S matrix 0.88 Mb ( 240, 240) Each matrix 0.26 Mb ( 140, 2, 60) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Ti2H.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.8 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 48.8 secs Computing kpt #: 4 total cpu time spent up to now is 52.2 secs Computing kpt #: 5 total cpu time spent up to now is 55.3 secs Computing kpt #: 6 total cpu time spent up to now is 58.4 secs Computing kpt #: 7 total cpu time spent up to now is 60.8 secs Computing kpt #: 8 total cpu time spent up to now is 63.5 secs Computing kpt #: 9 total cpu time spent up to now is 66.4 secs Computing kpt #: 10 total cpu time spent up to now is 69.3 secs Computing kpt #: 11 total cpu time spent up to now is 71.7 secs Computing kpt #: 12 total cpu time spent up to now is 74.1 secs Computing kpt #: 13 total cpu time spent up to now is 76.5 secs Computing kpt #: 14 total cpu time spent up to now is 78.9 secs Computing kpt #: 15 total cpu time spent up to now is 81.2 secs Computing kpt #: 16 total cpu time spent up to now is 83.2 secs Computing kpt #: 17 total cpu time spent up to now is 85.3 secs Computing kpt #: 18 total cpu time spent up to now is 87.3 secs Computing kpt #: 19 total cpu time spent up to now is 89.4 secs Computing kpt #: 20 total cpu time spent up to now is 91.4 secs Computing kpt #: 21 total cpu time spent up to now is 93.2 secs Computing kpt #: 22 total cpu time spent up to now is 94.8 secs Computing kpt #: 23 total cpu time spent up to now is 96.5 secs Computing kpt #: 24 total cpu time spent up to now is 98.1 secs Computing kpt #: 25 total cpu time spent up to now is 99.7 secs Computing kpt #: 26 total cpu time spent up to now is 101.3 secs Computing kpt #: 27 total cpu time spent up to now is 102.9 secs Computing kpt #: 28 total cpu time spent up to now is 104.6 secs Computing kpt #: 29 total cpu time spent up to now is 106.4 secs Computing kpt #: 30 total cpu time spent up to now is 108.2 secs Computing kpt #: 31 total cpu time spent up to now is 110.2 secs Computing kpt #: 32 total cpu time spent up to now is 112.2 secs Computing kpt #: 33 total cpu time spent up to now is 114.5 secs Computing kpt #: 34 total cpu time spent up to now is 116.5 secs Computing kpt #: 35 total cpu time spent up to now is 118.5 secs Computing kpt #: 36 total cpu time spent up to now is 120.7 secs Computing kpt #: 37 total cpu time spent up to now is 123.2 secs Computing kpt #: 38 total cpu time spent up to now is 125.3 secs Computing kpt #: 39 total cpu time spent up to now is 127.4 secs Computing kpt #: 40 total cpu time spent up to now is 129.4 secs Computing kpt #: 41 total cpu time spent up to now is 131.5 secs Computing kpt #: 42 total cpu time spent up to now is 133.6 secs Computing kpt #: 43 total cpu time spent up to now is 135.7 secs Computing kpt #: 44 total cpu time spent up to now is 137.7 secs Computing kpt #: 45 total cpu time spent up to now is 139.9 secs Computing kpt #: 46 total cpu time spent up to now is 141.9 secs Computing kpt #: 47 total cpu time spent up to now is 144.1 secs Computing kpt #: 48 total cpu time spent up to now is 146.4 secs Computing kpt #: 49 total cpu time spent up to now is 148.6 secs Computing kpt #: 50 total cpu time spent up to now is 150.7 secs Computing kpt #: 51 total cpu time spent up to now is 153.2 secs Computing kpt #: 52 total cpu time spent up to now is 155.7 secs Computing kpt #: 53 total cpu time spent up to now is 158.3 secs Computing kpt #: 54 total cpu time spent up to now is 160.9 secs Computing kpt #: 55 total cpu time spent up to now is 163.7 secs Computing kpt #: 56 total cpu time spent up to now is 166.3 secs Computing kpt #: 57 total cpu time spent up to now is 169.1 secs Computing kpt #: 58 total cpu time spent up to now is 171.8 secs Computing kpt #: 59 total cpu time spent up to now is 174.6 secs Computing kpt #: 60 total cpu time spent up to now is 177.5 secs Computing kpt #: 61 total cpu time spent up to now is 180.5 secs Computing kpt #: 62 total cpu time spent up to now is 183.2 secs Computing kpt #: 63 total cpu time spent up to now is 186.0 secs Computing kpt #: 64 total cpu time spent up to now is 188.8 secs Computing kpt #: 65 total cpu time spent up to now is 191.5 secs Computing kpt #: 66 total cpu time spent up to now is 194.4 secs Computing kpt #: 67 total cpu time spent up to now is 197.6 secs Computing kpt #: 68 total cpu time spent up to now is 200.4 secs Computing kpt #: 69 total cpu time spent up to now is 203.5 secs Computing kpt #: 70 total cpu time spent up to now is 206.1 secs Computing kpt #: 71 total cpu time spent up to now is 208.7 secs Computing kpt #: 72 total cpu time spent up to now is 212.3 secs Computing kpt #: 73 total cpu time spent up to now is 216.0 secs Computing kpt #: 74 total cpu time spent up to now is 219.6 secs Computing kpt #: 75 total cpu time spent up to now is 223.3 secs Computing kpt #: 76 total cpu time spent up to now is 227.1 secs Computing kpt #: 77 total cpu time spent up to now is 231.0 secs Computing kpt #: 78 total cpu time spent up to now is 234.7 secs Computing kpt #: 79 total cpu time spent up to now is 238.5 secs Computing kpt #: 80 total cpu time spent up to now is 242.4 secs Computing kpt #: 81 total cpu time spent up to now is 246.3 secs Computing kpt #: 82 total cpu time spent up to now is 250.3 secs Computing kpt #: 83 total cpu time spent up to now is 253.8 secs Computing kpt #: 84 total cpu time spent up to now is 257.5 secs Computing kpt #: 85 total cpu time spent up to now is 261.5 secs Computing kpt #: 86 total cpu time spent up to now is 265.5 secs Computing kpt #: 87 total cpu time spent up to now is 269.9 secs Computing kpt #: 88 total cpu time spent up to now is 274.6 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.4 secs Computing kpt #: 90 total cpu time spent up to now is 282.8 secs Computing kpt #: 91 total cpu time spent up to now is 285.5 secs Computing kpt #: 92 total cpu time spent up to now is 288.1 secs Computing kpt #: 93 total cpu time spent up to now is 290.7 secs Computing kpt #: 94 total cpu time spent up to now is 293.2 secs Computing kpt #: 95 total cpu time spent up to now is 295.7 secs Computing kpt #: 96 total cpu time spent up to now is 298.0 secs Computing kpt #: 97 total cpu time spent up to now is 300.4 secs Computing kpt #: 98 total cpu time spent up to now is 302.7 secs Computing kpt #: 99 total cpu time spent up to now is 304.7 secs Computing kpt #: 100 total cpu time spent up to now is 306.8 secs Computing kpt #: 101 total cpu time spent up to now is 308.9 secs Computing kpt #: 102 total cpu time spent up to now is 310.9 secs Computing kpt #: 103 total cpu time spent up to now is 313.1 secs Computing kpt #: 104 total cpu time spent up to now is 315.2 secs Computing kpt #: 105 total cpu time spent up to now is 317.1 secs Computing kpt #: 106 total cpu time spent up to now is 319.0 secs Computing kpt #: 107 total cpu time spent up to now is 320.9 secs Computing kpt #: 108 total cpu time spent up to now is 322.7 secs Computing kpt #: 109 total cpu time spent up to now is 324.5 secs Computing kpt #: 110 total cpu time spent up to now is 326.4 secs Computing kpt #: 111 total cpu time spent up to now is 328.3 secs Computing kpt #: 112 total cpu time spent up to now is 330.1 secs Computing kpt #: 113 total cpu time spent up to now is 332.2 secs Computing kpt #: 114 total cpu time spent up to now is 334.6 secs Computing kpt #: 115 total cpu time spent up to now is 337.0 secs Computing kpt #: 116 total cpu time spent up to now is 339.1 secs Computing kpt #: 117 total cpu time spent up to now is 341.1 secs Computing kpt #: 118 total cpu time spent up to now is 343.1 secs Computing kpt #: 119 total cpu time spent up to now is 345.2 secs Computing kpt #: 120 total cpu time spent up to now is 347.4 secs Computing kpt #: 121 total cpu time spent up to now is 349.8 secs Computing kpt #: 122 total cpu time spent up to now is 352.3 secs Computing kpt #: 123 total cpu time spent up to now is 354.9 secs Computing kpt #: 124 total cpu time spent up to now is 358.3 secs Computing kpt #: 125 total cpu time spent up to now is 361.0 secs Computing kpt #: 126 total cpu time spent up to now is 363.7 secs Computing kpt #: 127 total cpu time spent up to now is 367.1 secs Computing kpt #: 128 total cpu time spent up to now is 370.6 secs Computing kpt #: 129 total cpu time spent up to now is 374.1 secs Computing kpt #: 130 total cpu time spent up to now is 377.7 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.9 secs Computing kpt #: 132 total cpu time spent up to now is 383.7 secs Computing kpt #: 133 total cpu time spent up to now is 385.5 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 389.5 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.8 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.2 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 402.6 secs Computing kpt #: 138 total cpu time spent up to now is 405.5 secs Computing kpt #: 139 total cpu time spent up to now is 408.2 secs Computing kpt #: 140 total cpu time spent up to now is 410.9 secs Computing kpt #: 141 total cpu time spent up to now is 413.5 secs Computing kpt #: 142 total cpu time spent up to now is 416.3 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.8 secs Computing kpt #: 144 total cpu time spent up to now is 423.5 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 427.9 secs Computing kpt #: 146 total cpu time spent up to now is 431.6 secs Computing kpt #: 147 total cpu time spent up to now is 435.3 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 440.0 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 444.6 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.3 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 454.0 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.7 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.3 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.9 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.4 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 476.9 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 481.5 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 486.0 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.5 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 495.0 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 499.6 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 504.2 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 508.7 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.3 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 517.9 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 522.5 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 527.1 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 531.6 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 536.3 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 540.9 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.5 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 550.0 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 554.7 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.2 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 563.9 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 568.4 secs Computing kpt #: 177 total cpu time spent up to now is 571.3 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 576.0 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 580.6 secs Computing kpt #: 180 total cpu time spent up to now is 583.2 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 587.7 secs Computing kpt #: 182 total cpu time spent up to now is 592.2 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 596.7 secs Computing kpt #: 184 total cpu time spent up to now is 600.1 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 605.1 secs Computing kpt #: 186 total cpu time spent up to now is 608.8 secs Computing kpt #: 187 total cpu time spent up to now is 612.3 secs Computing kpt #: 188 total cpu time spent up to now is 615.2 secs Computing kpt #: 189 total cpu time spent up to now is 618.1 secs Computing kpt #: 190 total cpu time spent up to now is 621.0 secs Computing kpt #: 191 total cpu time spent up to now is 623.9 secs Computing kpt #: 192 total cpu time spent up to now is 627.1 secs Computing kpt #: 193 total cpu time spent up to now is 631.9 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 636.7 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 641.8 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 646.9 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 651.7 secs Computing kpt #: 198 total cpu time spent up to now is 653.5 secs Computing kpt #: 199 total cpu time spent up to now is 655.3 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 660.3 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 665.3 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 670.1 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 674.7 secs Computing kpt #: 204 total cpu time spent up to now is 679.0 secs Computing kpt #: 205 total cpu time spent up to now is 681.9 secs Computing kpt #: 206 total cpu time spent up to now is 684.8 secs Computing kpt #: 207 total cpu time spent up to now is 687.6 secs Computing kpt #: 208 total cpu time spent up to now is 690.4 secs Computing kpt #: 209 total cpu time spent up to now is 693.2 secs Computing kpt #: 210 total cpu time spent up to now is 695.8 secs Computing kpt #: 211 total cpu time spent up to now is 698.3 secs Computing kpt #: 212 total cpu time spent up to now is 700.7 secs Computing kpt #: 213 total cpu time spent up to now is 703.3 secs Computing kpt #: 214 total cpu time spent up to now is 705.7 secs Computing kpt #: 215 total cpu time spent up to now is 708.1 secs Computing kpt #: 216 total cpu time spent up to now is 710.5 secs Computing kpt #: 217 total cpu time spent up to now is 713.0 secs Computing kpt #: 218 total cpu time spent up to now is 715.6 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 720.3 secs Computing kpt #: 220 total cpu time spent up to now is 724.2 secs Computing kpt #: 221 total cpu time spent up to now is 728.1 secs Computing kpt #: 222 total cpu time spent up to now is 732.1 secs Computing kpt #: 223 total cpu time spent up to now is 734.8 secs Computing kpt #: 224 total cpu time spent up to now is 737.1 secs Computing kpt #: 225 total cpu time spent up to now is 739.6 secs Computing kpt #: 226 total cpu time spent up to now is 741.8 secs Computing kpt #: 227 total cpu time spent up to now is 743.7 secs Computing kpt #: 228 total cpu time spent up to now is 745.7 secs Computing kpt #: 229 total cpu time spent up to now is 747.8 secs Computing kpt #: 230 total cpu time spent up to now is 750.0 secs Computing kpt #: 231 total cpu time spent up to now is 752.1 secs Computing kpt #: 232 total cpu time spent up to now is 754.2 secs Computing kpt #: 233 total cpu time spent up to now is 756.4 secs Computing kpt #: 234 total cpu time spent up to now is 758.4 secs Computing kpt #: 235 total cpu time spent up to now is 760.8 secs Computing kpt #: 236 total cpu time spent up to now is 763.1 secs Computing kpt #: 237 total cpu time spent up to now is 765.5 secs Computing kpt #: 238 total cpu time spent up to now is 768.0 secs Computing kpt #: 239 total cpu time spent up to now is 770.5 secs Computing kpt #: 240 total cpu time spent up to now is 773.7 secs Computing kpt #: 241 total cpu time spent up to now is 777.5 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 782.1 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 786.8 secs Computing kpt #: 244 total cpu time spent up to now is 790.8 secs Computing kpt #: 245 total cpu time spent up to now is 793.6 secs Computing kpt #: 246 total cpu time spent up to now is 796.2 secs Computing kpt #: 247 total cpu time spent up to now is 798.7 secs Computing kpt #: 248 total cpu time spent up to now is 800.9 secs Computing kpt #: 249 total cpu time spent up to now is 803.0 secs Computing kpt #: 250 total cpu time spent up to now is 805.2 secs Computing kpt #: 251 total cpu time spent up to now is 807.3 secs Computing kpt #: 252 total cpu time spent up to now is 809.4 secs Computing kpt #: 253 total cpu time spent up to now is 813.2 secs Computing kpt #: 254 total cpu time spent up to now is 817.2 secs Computing kpt #: 255 total cpu time spent up to now is 820.6 secs Computing kpt #: 256 total cpu time spent up to now is 824.4 secs Computing kpt #: 257 total cpu time spent up to now is 828.3 secs Computing kpt #: 258 total cpu time spent up to now is 831.7 secs Computing kpt #: 259 total cpu time spent up to now is 834.9 secs Computing kpt #: 260 total cpu time spent up to now is 838.1 secs Computing kpt #: 261 total cpu time spent up to now is 840.8 secs Computing kpt #: 262 total cpu time spent up to now is 843.9 secs Computing kpt #: 263 total cpu time spent up to now is 846.6 secs Computing kpt #: 264 total cpu time spent up to now is 849.2 secs Computing kpt #: 265 total cpu time spent up to now is 851.8 secs Computing kpt #: 266 total cpu time spent up to now is 854.3 secs Computing kpt #: 267 total cpu time spent up to now is 856.9 secs Computing kpt #: 268 total cpu time spent up to now is 859.7 secs Computing kpt #: 269 total cpu time spent up to now is 862.3 secs Computing kpt #: 270 total cpu time spent up to now is 865.1 secs Computing kpt #: 271 total cpu time spent up to now is 868.3 secs Computing kpt #: 272 total cpu time spent up to now is 870.8 secs Computing kpt #: 273 total cpu time spent up to now is 873.4 secs Computing kpt #: 274 total cpu time spent up to now is 876.8 secs Computing kpt #: 275 total cpu time spent up to now is 880.1 secs Computing kpt #: 276 total cpu time spent up to now is 883.7 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 888.5 secs Computing kpt #: 278 total cpu time spent up to now is 891.8 secs Computing kpt #: 279 total cpu time spent up to now is 895.3 secs Computing kpt #: 280 total cpu time spent up to now is 898.1 secs Computing kpt #: 281 total cpu time spent up to now is 902.8 secs Computing kpt #: 282 total cpu time spent up to now is 905.6 secs Computing kpt #: 283 total cpu time spent up to now is 908.5 secs Computing kpt #: 284 total cpu time spent up to now is 911.3 secs Computing kpt #: 285 total cpu time spent up to now is 914.3 secs Computing kpt #: 286 total cpu time spent up to now is 917.1 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 921.8 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 926.4 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 931.4 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 936.1 secs Computing kpt #: 291 total cpu time spent up to now is 937.8 secs ethr = 2.00E-11, avg # of iterations = 66.1 total cpu time spent up to now is 938.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3191 PWs) bands (ev): -44.2330 -44.2330 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -21.0397 -21.0397 -20.9420 -20.9420 -20.9420 -20.9420 -20.6376 -20.6376 -20.3699 -20.3699 -20.3349 -20.3349 -20.3349 -20.3349 -20.1955 -20.1955 -20.1411 -20.1411 -20.1411 -20.1411 -19.9596 -19.9596 -19.9596 -19.9596 4.0550 4.0550 8.5471 8.5471 8.9177 8.9177 10.0251 10.0251 10.0251 10.0251 10.0258 10.0258 11.0226 11.0226 11.0226 11.0226 13.1895 13.1895 13.1895 13.1895 13.2155 13.2155 14.8400 14.8400 14.8400 14.8400 15.1708 15.1708 k = 0.0000 0.0132-0.0000 ( 3191 PWs) bands (ev): -44.2329 -44.2329 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -21.0396 -21.0396 -20.9420 -20.9420 -20.9419 -20.9419 -20.6377 -20.6377 -20.3699 -20.3699 -20.3349 -20.3349 -20.3348 -20.3348 -20.1955 -20.1955 -20.1412 -20.1412 -20.1411 -20.1411 -19.9598 -19.9598 -19.9597 -19.9597 4.0565 4.0565 8.5431 8.5431 8.9188 8.9188 10.0264 10.0264 10.0268 10.0268 10.0281 10.0281 11.0234 11.0234 11.0234 11.0234 13.1891 13.1891 13.1902 13.1902 13.2157 13.2157 14.8387 14.8387 14.8404 14.8404 15.1579 15.1579 k = 0.0000 0.0263-0.0000 ( 3187 PWs) bands (ev): -44.2328 -44.2328 -44.1064 -44.1064 -44.1062 -44.1062 -44.1062 -44.1062 -21.0392 -21.0392 -20.9419 -20.9419 -20.9416 -20.9416 -20.6381 -20.6381 -20.3698 -20.3698 -20.3348 -20.3348 -20.3344 -20.3344 -20.1956 -20.1956 -20.1414 -20.1414 -20.1410 -20.1410 -19.9602 -19.9602 -19.9599 -19.9599 4.0609 4.0609 8.5313 8.5313 8.9220 8.9220 10.0303 10.0303 10.0307 10.0307 10.0360 10.0360 11.0257 11.0257 11.0259 11.0259 13.1879 13.1879 13.1925 13.1925 13.2167 13.2167 14.8350 14.8350 14.8416 14.8416 15.1212 15.1212 k = 0.0000 0.0395-0.0000 ( 3171 PWs) bands (ev): -44.2325 -44.2325 -44.1067 -44.1067 -44.1062 -44.1062 -44.1062 -44.1062 -21.0386 -21.0386 -20.9418 -20.9418 -20.9411 -20.9411 -20.6385 -20.6385 -20.3696 -20.3696 -20.3348 -20.3348 -20.3339 -20.3339 -20.1957 -20.1957 -20.1418 -20.1418 -20.1408 -20.1408 -19.9609 -19.9609 -19.9601 -19.9601 4.0682 4.0682 8.5118 8.5118 8.9274 8.9274 10.0369 10.0369 10.0373 10.0373 10.0489 10.0489 11.0297 11.0297 11.0301 11.0301 13.1853 13.1853 13.1963 13.1963 13.2189 13.2189 14.8286 14.8286 14.8435 14.8435 15.0657 15.0657 k = 0.0000 0.0526-0.0000 ( 3179 PWs) bands (ev): -44.2321 -44.2321 -44.1071 -44.1071 -44.1062 -44.1062 -44.1062 -44.1062 -21.0378 -21.0378 -20.9416 -20.9416 -20.9404 -20.9404 -20.6395 -20.6395 -20.3693 -20.3693 -20.3347 -20.3347 -20.3332 -20.3332 -20.1959 -20.1959 -20.1424 -20.1424 -20.1406 -20.1406 -19.9624 -19.9624 -19.9607 -19.9607 4.0784 4.0784 8.4851 8.4851 8.9349 8.9349 10.0460 10.0460 10.0464 10.0464 10.0665 10.0665 11.0352 11.0352 11.0359 11.0359 13.1807 13.1807 13.2015 13.2015 13.2229 13.2229 14.8198 14.8198 14.8462 14.8462 14.9968 14.9968 k = 0.0000 0.0658-0.0000 ( 3171 PWs) bands (ev): -44.2316 -44.2316 -44.1075 -44.1075 -44.1062 -44.1062 -44.1062 -44.1062 -21.0366 -21.0366 -20.9414 -20.9414 -20.9394 -20.9394 -20.6406 -20.6406 -20.3690 -20.3690 -20.3346 -20.3346 -20.3322 -20.3322 -20.1962 -20.1962 -20.1431 -20.1431 -20.1403 -20.1403 -19.9640 -19.9640 -19.9613 -19.9613 4.0916 4.0916 8.4516 8.4516 8.9446 8.9446 10.0577 10.0577 10.0581 10.0581 10.0881 10.0881 11.0422 11.0422 11.0434 11.0434 13.1740 13.1740 13.2083 13.2083 13.2287 13.2287 14.8085 14.8085 14.8497 14.8497 14.9186 14.9186 k = 0.0000 0.0789-0.0000 ( 3167 PWs) bands (ev): -44.2310 -44.2310 -44.1081 -44.1081 -44.1062 -44.1062 -44.1062 -44.1062 -21.0353 -21.0353 -20.9411 -20.9411 -20.9383 -20.9383 -20.6421 -20.6421 -20.3686 -20.3686 -20.3345 -20.3345 -20.3310 -20.3310 -20.1965 -20.1965 -20.1439 -20.1439 -20.1399 -20.1399 -19.9661 -19.9661 -19.9622 -19.9622 4.1076 4.1076 8.4120 8.4120 8.9564 8.9564 10.0719 10.0719 10.0723 10.0723 10.1133 10.1133 11.0508 11.0508 11.0526 11.0526 13.1653 13.1653 13.2166 13.2166 13.2362 13.2362 14.7947 14.7947 14.8344 14.8344 14.8540 14.8540 k = 0.0000 0.0921-0.0000 ( 3175 PWs) bands (ev): -44.2303 -44.2303 -44.1088 -44.1088 -44.1062 -44.1062 -44.1062 -44.1062 -21.0337 -21.0337 -20.9408 -20.9408 -20.9370 -20.9370 -20.6439 -20.6439 -20.3681 -20.3681 -20.3344 -20.3344 -20.3296 -20.3296 -20.1969 -20.1969 -20.1450 -20.1450 -20.1394 -20.1394 -19.9686 -19.9686 -19.9634 -19.9634 4.1265 4.1265 8.3667 8.3667 8.9703 8.9703 10.0885 10.0885 10.0890 10.0890 10.1415 10.1415 11.0610 11.0610 11.0634 11.0634 13.1544 13.1544 13.2263 13.2263 13.2456 13.2456 14.7463 14.7463 14.7784 14.7784 14.8589 14.8589 k = 0.0000 0.1053-0.0000 ( 3175 PWs) bands (ev): -44.2295 -44.2295 -44.1096 -44.1096 -44.1062 -44.1062 -44.1062 -44.1062 -21.0319 -21.0319 -20.9405 -20.9405 -20.9354 -20.9354 -20.6459 -20.6459 -20.3676 -20.3676 -20.3343 -20.3343 -20.3279 -20.3279 -20.1974 -20.1974 -20.1461 -20.1461 -20.1388 -20.1388 -19.9714 -19.9714 -19.9647 -19.9647 4.1483 4.1483 8.3164 8.3164 8.9864 8.9864 10.1077 10.1077 10.1081 10.1081 10.1721 10.1721 11.0727 11.0727 11.0760 11.0760 13.1415 13.1415 13.2376 13.2376 13.2565 13.2565 14.6556 14.6556 14.7597 14.7597 14.7858 14.7858 k = 0.0000 0.1184-0.0000 ( 3179 PWs) bands (ev): -44.2286 -44.2286 -44.1105 -44.1105 -44.1062 -44.1062 -44.1062 -44.1062 -21.0300 -21.0300 -20.9401 -20.9401 -20.9337 -20.9337 -20.6481 -20.6481 -20.3671 -20.3671 -20.3342 -20.3342 -20.3261 -20.3261 -20.1981 -20.1981 -20.1474 -20.1474 -20.1381 -20.1381 -19.9745 -19.9745 -19.9661 -19.9661 4.1729 4.1729 8.2616 8.2616 9.0045 9.0045 10.1292 10.1292 10.1296 10.1296 10.2046 10.2046 11.0860 11.0860 11.0901 11.0901 13.1266 13.1266 13.2503 13.2503 13.2691 13.2691 14.5635 14.5635 14.7068 14.7068 14.7386 14.7386 k = 0.0000 0.1316-0.0000 ( 3178 PWs) bands (ev): -44.2276 -44.2276 -44.1116 -44.1116 -44.1061 -44.1061 -44.1061 -44.1061 -21.0277 -21.0277 -20.9397 -20.9397 -20.9317 -20.9317 -20.6506 -20.6506 -20.3665 -20.3665 -20.3340 -20.3340 -20.3239 -20.3239 -20.1988 -20.1988 -20.1489 -20.1489 -20.1372 -20.1372 -19.9779 -19.9779 -19.9676 -19.9676 4.2003 4.2003 8.2027 8.2027 9.0248 9.0248 10.1530 10.1530 10.1534 10.1534 10.2384 10.2384 11.1008 11.1008 11.1060 11.1060 13.1097 13.1097 13.2645 13.2645 13.2832 13.2832 14.4705 14.4705 14.6251 14.6251 14.7152 14.7152 k = 0.0000 0.1447-0.0000 ( 3182 PWs) bands (ev): -44.2265 -44.2265 -44.1127 -44.1127 -44.1061 -44.1061 -44.1061 -44.1061 -21.0254 -21.0254 -20.9394 -20.9394 -20.9296 -20.9296 -20.6533 -20.6533 -20.3659 -20.3659 -20.3339 -20.3339 -20.3216 -20.3216 -20.1996 -20.1996 -20.1505 -20.1505 -20.1363 -20.1363 -19.9817 -19.9817 -19.9693 -19.9693 4.2305 4.2305 8.1402 8.1402 9.0471 9.0471 10.1790 10.1790 10.1794 10.1794 10.2731 10.2731 11.1171 11.1171 11.1234 11.1234 13.0907 13.0907 13.2802 13.2802 13.2988 13.2988 14.3772 14.3772 14.5414 14.5414 14.6894 14.6894 k = 0.0000 0.1579-0.0000 ( 3182 PWs) bands (ev): -44.2253 -44.2253 -44.1139 -44.1139 -44.1061 -44.1061 -44.1061 -44.1061 -21.0228 -21.0228 -20.9389 -20.9389 -20.9272 -20.9272 -20.6563 -20.6563 -20.3652 -20.3652 -20.3337 -20.3337 -20.3189 -20.3189 -20.2004 -20.2004 -20.1522 -20.1522 -20.1352 -20.1352 -19.9858 -19.9858 -19.9711 -19.9711 4.2634 4.2634 8.0744 8.0744 9.0715 9.0715 10.2072 10.2072 10.2076 10.2076 10.3083 10.3083 11.1349 11.1349 11.1426 11.1426 13.0697 13.0697 13.2973 13.2973 13.3159 13.3159 14.2839 14.2839 14.4565 14.4565 14.6613 14.6613 k = 0.0000 0.1711-0.0000 ( 3178 PWs) bands (ev): -44.2240 -44.2240 -44.1151 -44.1151 -44.1061 -44.1061 -44.1061 -44.1061 -21.0200 -21.0200 -20.9385 -20.9385 -20.9246 -20.9246 -20.6595 -20.6595 -20.3646 -20.3646 -20.3336 -20.3336 -20.3159 -20.3159 -20.2014 -20.2014 -20.1540 -20.1540 -20.1339 -20.1339 -19.9902 -19.9902 -19.9731 -19.9731 4.2990 4.2990 8.0057 8.0057 9.0979 9.0979 10.2374 10.2374 10.2378 10.2378 10.3435 10.3435 11.1543 11.1543 11.1634 11.1634 13.0466 13.0466 13.3159 13.3159 13.3346 13.3346 14.1908 14.1908 14.3711 14.3711 14.6311 14.6311 k = 0.0000 0.1842-0.0000 ( 3178 PWs) bands (ev): -44.2227 -44.2227 -44.1165 -44.1165 -44.1061 -44.1061 -44.1061 -44.1061 -21.0172 -21.0172 -20.9381 -20.9381 -20.9218 -20.9218 -20.6630 -20.6630 -20.3639 -20.3639 -20.3334 -20.3334 -20.3128 -20.3128 -20.2025 -20.2025 -20.1559 -20.1559 -20.1326 -20.1326 -19.9948 -19.9948 -19.9752 -19.9752 4.3373 4.3373 7.9343 7.9343 9.1264 9.1264 10.2695 10.2695 10.2699 10.2699 10.3784 10.3784 11.1751 11.1751 11.1859 11.1859 13.0216 13.0216 13.3359 13.3359 13.3546 13.3546 14.0983 14.0983 14.2857 14.2857 14.5987 14.5987 k = 0.0000 0.1974-0.0000 ( 3178 PWs) bands (ev): -44.2212 -44.2212 -44.1180 -44.1180 -44.1061 -44.1061 -44.1061 -44.1061 -21.0142 -21.0142 -20.9376 -20.9376 -20.9188 -20.9188 -20.6666 -20.6666 -20.3632 -20.3632 -20.3332 -20.3332 -20.3094 -20.3094 -20.2036 -20.2036 -20.1579 -20.1579 -20.1310 -20.1310 -19.9998 -19.9998 -19.9775 -19.9775 4.3782 4.3782 7.8606 7.8606 9.1568 9.1568 10.3035 10.3035 10.3039 10.3039 10.4124 10.4124 11.1973 11.1973 11.2100 11.2100 12.9945 12.9945 13.3574 13.3574 13.3762 13.3762 14.0063 14.0063 14.2010 14.2010 14.5642 14.5642 k = 0.0000 0.2105-0.0000 ( 3174 PWs) bands (ev): -44.2196 -44.2196 -44.1196 -44.1196 -44.1061 -44.1061 -44.1061 -44.1061 -21.0110 -21.0110 -20.9372 -20.9372 -20.9156 -20.9156 -20.6705 -20.6705 -20.3624 -20.3624 -20.3331 -20.3331 -20.3057 -20.3057 -20.2048 -20.2048 -20.1600 -20.1600 -20.1294 -20.1294 -20.0049 -20.0049 -19.9799 -19.9799 4.4217 4.4217 7.7848 7.7848 9.1892 9.1892 10.3391 10.3391 10.3395 10.3395 10.4454 10.4454 11.2210 11.2210 11.2358 11.2358 12.9656 12.9656 13.3803 13.3803 13.3991 13.3991 13.9152 13.9152 14.1176 14.1176 14.5277 14.5277 k = 0.0000 0.2237-0.0000 ( 3178 PWs) bands (ev): -44.2180 -44.2180 -44.1213 -44.1213 -44.1061 -44.1061 -44.1061 -44.1061 -21.0077 -21.0077 -20.9367 -20.9367 -20.9123 -20.9123 -20.6746 -20.6746 -20.3616 -20.3616 -20.3328 -20.3328 -20.3020 -20.3020 -20.2060 -20.2060 -20.1622 -20.1622 -20.1278 -20.1278 -20.0103 -20.0103 -19.9824 -19.9824 4.4677 4.4677 7.7072 7.7072 9.2235 9.2235 10.3762 10.3762 10.3766 10.3766 10.4767 10.4767 11.2462 11.2462 11.2632 11.2632 12.9348 12.9348 13.4045 13.4045 13.4235 13.4235 13.8249 13.8249 14.0360 14.0360 14.4893 14.4893 k = 0.0000 0.2368-0.0000 ( 3178 PWs) bands (ev): -44.2162 -44.2162 -44.1230 -44.1230 -44.1061 -44.1061 -44.1061 -44.1061 -21.0044 -21.0044 -20.9363 -20.9363 -20.9087 -20.9087 -20.6790 -20.6790 -20.3608 -20.3608 -20.3327 -20.3327 -20.2979 -20.2979 -20.2073 -20.2073 -20.1644 -20.1644 -20.1259 -20.1259 -20.0159 -20.0159 -19.9850 -19.9850 4.5162 4.5162 7.6278 7.6278 9.2597 9.2597 10.4146 10.4146 10.4150 10.4150 10.5061 10.5061 11.2727 11.2727 11.2923 11.2923 12.9023 12.9023 13.4301 13.4301 13.4492 13.4492 13.7356 13.7356 13.9568 13.9568 14.4491 14.4491 k = 0.0000 0.2500-0.0000 ( 3178 PWs) bands (ev): -44.2144 -44.2144 -44.1248 -44.1248 -44.1061 -44.1061 -44.1061 -44.1061 -21.0010 -21.0010 -20.9360 -20.9360 -20.9048 -20.9048 -20.6835 -20.6835 -20.3600 -20.3600 -20.3325 -20.3325 -20.2935 -20.2935 -20.2086 -20.2086 -20.1668 -20.1668 -20.1239 -20.1239 -20.0217 -20.0217 -19.9878 -19.9878 4.5671 4.5671 7.5469 7.5469 9.2977 9.2977 10.4542 10.4542 10.4546 10.4546 10.5332 10.5332 11.3007 11.3007 11.3230 11.3230 12.8681 12.8681 13.4571 13.4571 13.4763 13.4763 13.6473 13.6473 13.8806 13.8806 14.4071 14.4071 k = 0.0000 0.2632-0.0000 ( 3178 PWs) bands (ev): -44.2125 -44.2125 -44.1267 -44.1267 -44.1061 -44.1061 -44.1061 -44.1061 -20.9976 -20.9976 -20.9357 -20.9357 -20.9008 -20.9008 -20.6883 -20.6883 -20.3592 -20.3592 -20.3324 -20.3324 -20.2890 -20.2890 -20.2099 -20.2099 -20.1691 -20.1691 -20.1218 -20.1218 -20.0277 -20.0277 -19.9906 -19.9906 4.6204 4.6204 7.4647 7.4647 9.3376 9.3376 10.4948 10.4948 10.4951 10.4951 10.5575 10.5575 11.3300 11.3300 11.3554 11.3554 12.8324 12.8324 13.4854 13.4854 13.5048 13.5048 13.5601 13.5601 13.8080 13.8080 14.3636 14.3636 k = 0.0000 0.2763-0.0000 ( 3186 PWs) bands (ev): -44.2106 -44.2106 -44.1287 -44.1287 -44.1061 -44.1061 -44.1061 -44.1061 -20.9942 -20.9942 -20.9355 -20.9355 -20.8965 -20.8965 -20.6933 -20.6933 -20.3584 -20.3584 -20.3324 -20.3324 -20.2842 -20.2842 -20.2113 -20.2113 -20.1715 -20.1715 -20.1197 -20.1197 -20.0338 -20.0338 -19.9936 -19.9936 4.6760 4.6760 7.3814 7.3814 9.3792 9.3792 10.5361 10.5361 10.5363 10.5363 10.5786 10.5786 11.3606 11.3606 11.3894 11.3894 12.7953 12.7953 13.4740 13.4740 13.5149 13.5149 13.5345 13.5345 13.7395 13.7395 14.3186 14.3186 k = 0.0000 0.2895-0.0000 ( 3170 PWs) bands (ev): -44.2086 -44.2086 -44.1307 -44.1307 -44.1060 -44.1060 -44.1060 -44.1060 -20.9906 -20.9906 -20.9352 -20.9352 -20.8920 -20.8920 -20.6984 -20.6984 -20.3573 -20.3573 -20.3322 -20.3322 -20.2792 -20.2792 -20.2125 -20.2125 -20.1738 -20.1738 -20.1175 -20.1175 -20.0400 -20.0400 -19.9967 -19.9967 4.7339 4.7339 7.2970 7.2970 9.4224 9.4224 10.5778 10.5778 10.5779 10.5779 10.5964 10.5964 11.3925 11.3925 11.4250 11.4250 12.7569 12.7569 13.3891 13.3891 13.5457 13.5457 13.5654 13.5654 13.6757 13.6757 14.2722 14.2722 k = 0.0000 0.3026-0.0000 ( 3170 PWs) bands (ev): -44.2065 -44.2065 -44.1328 -44.1328 -44.1060 -44.1060 -44.1060 -44.1060 -20.9872 -20.9872 -20.9351 -20.9351 -20.8874 -20.8874 -20.7038 -20.7038 -20.3564 -20.3564 -20.3322 -20.3322 -20.2741 -20.2741 -20.2137 -20.2137 -20.1762 -20.1762 -20.1154 -20.1154 -20.0462 -20.0462 -19.9999 -19.9999 4.7940 4.7940 7.2117 7.2117 9.4673 9.4673 10.6088 10.6088 10.6198 10.6198 10.6208 10.6208 11.4257 11.4257 11.4623 11.4623 12.7173 12.7173 13.3054 13.3054 13.5777 13.5777 13.5974 13.5974 13.6171 13.6171 14.2247 14.2247 k = 0.0000 0.3158-0.0000 ( 3170 PWs) bands (ev): -44.2043 -44.2043 -44.1350 -44.1350 -44.1060 -44.1060 -44.1060 -44.1060 -20.9838 -20.9838 -20.9350 -20.9350 -20.8825 -20.8825 -20.7093 -20.7093 -20.3554 -20.3554 -20.3322 -20.3322 -20.2687 -20.2687 -20.2148 -20.2148 -20.1785 -20.1785 -20.1133 -20.1133 -20.0523 -20.0523 -20.0031 -20.0031 4.8562 4.8562 7.1256 7.1256 9.5137 9.5137 10.6184 10.6184 10.6617 10.6617 10.6622 10.6622 11.4602 11.4602 11.5012 11.5012 12.6767 12.6767 13.2230 13.2230 13.5639 13.5639 13.6107 13.6107 13.6309 13.6309 14.1762 14.1762 k = 0.0000 0.3289-0.0000 ( 3174 PWs) bands (ev): -44.2021 -44.2021 -44.1372 -44.1372 -44.1060 -44.1060 -44.1060 -44.1060 -20.9804 -20.9804 -20.9350 -20.9350 -20.8775 -20.8775 -20.7149 -20.7149 -20.3544 -20.3544 -20.3323 -20.3323 -20.2634 -20.2634 -20.2159 -20.2159 -20.1808 -20.1808 -20.1115 -20.1115 -20.0582 -20.0582 -20.0065 -20.0065 4.9204 4.9204 7.0390 7.0390 9.5616 9.5616 10.6229 10.6229 10.7032 10.7032 10.7036 10.7036 11.4958 11.4958 11.5417 11.5417 12.6353 12.6353 13.1419 13.1419 13.5170 13.5170 13.6448 13.6448 13.6652 13.6652 14.1268 14.1268 k = 0.0000 0.3421-0.0000 ( 3174 PWs) bands (ev): -44.1998 -44.1998 -44.1395 -44.1395 -44.1060 -44.1060 -44.1060 -44.1060 -20.9771 -20.9771 -20.9352 -20.9352 -20.8723 -20.8723 -20.7207 -20.7207 -20.3534 -20.3534 -20.3324 -20.3324 -20.2578 -20.2578 -20.2169 -20.2169 -20.1830 -20.1830 -20.1102 -20.1102 -20.0637 -20.0637 -20.0099 -20.0099 4.9866 4.9866 6.9518 6.9518 9.6109 9.6109 10.6223 10.6223 10.7439 10.7439 10.7443 10.7443 11.5326 11.5326 11.5839 11.5839 12.5929 12.5929 13.0620 13.0620 13.4766 13.4766 13.6798 13.6798 13.7004 13.7004 14.0768 14.0768 k = 0.0000 0.3553-0.0000 ( 3174 PWs) bands (ev): -44.1975 -44.1975 -44.1418 -44.1418 -44.1060 -44.1060 -44.1060 -44.1060 -20.9738 -20.9738 -20.9354 -20.9354 -20.8668 -20.8668 -20.7267 -20.7267 -20.3524 -20.3524 -20.3327 -20.3327 -20.2521 -20.2521 -20.2178 -20.2178 -20.1851 -20.1851 -20.1095 -20.1095 -20.0684 -20.0684 -20.0134 -20.0134 5.0547 5.0547 6.8642 6.8642 9.6614 9.6614 10.6167 10.6167 10.7836 10.7836 10.7840 10.7840 11.5706 11.5706 11.6276 11.6276 12.5498 12.5498 12.9835 12.9835 13.4431 13.4431 13.7155 13.7155 13.7365 13.7365 14.0265 14.0265 k = 0.0000 0.3684-0.0000 ( 3186 PWs) bands (ev): -44.1951 -44.1951 -44.1442 -44.1442 -44.1060 -44.1060 -44.1060 -44.1060 -20.9708 -20.9708 -20.9358 -20.9358 -20.8612 -20.8612 -20.7328 -20.7328 -20.3513 -20.3513 -20.3330 -20.3330 -20.2465 -20.2465 -20.2186 -20.2186 -20.1871 -20.1871 -20.1100 -20.1100 -20.0720 -20.0720 -20.0169 -20.0169 5.1247 5.1247 6.7764 6.7764 9.7130 9.7130 10.6057 10.6057 10.8217 10.8217 10.8221 10.8221 11.6096 11.6096 11.6730 11.6730 12.5061 12.5061 12.9064 12.9064 13.4166 13.4166 13.7516 13.7516 13.7733 13.7733 13.9762 13.9762 k = 0.0000 0.3816-0.0000 ( 3178 PWs) bands (ev): -44.1927 -44.1927 -44.1466 -44.1466 -44.1060 -44.1060 -44.1060 -44.1060 -20.9677 -20.9677 -20.9362 -20.9362 -20.8554 -20.8554 -20.7390 -20.7390 -20.3502 -20.3502 -20.3333 -20.3333 -20.2408 -20.2408 -20.2192 -20.2192 -20.1887 -20.1887 -20.1119 -20.1119 -20.0741 -20.0741 -20.0205 -20.0205 5.1964 5.1964 6.6884 6.6884 9.7656 9.7656 10.5895 10.5895 10.8580 10.8580 10.8584 10.8584 11.6496 11.6496 11.7200 11.7200 12.4616 12.4616 12.8306 12.8306 13.3972 13.3972 13.7873 13.7873 13.8104 13.8104 13.9267 13.9267 k = 0.0000 0.3947-0.0000 ( 3170 PWs) bands (ev): -44.1902 -44.1902 -44.1491 -44.1491 -44.1060 -44.1060 -44.1060 -44.1060 -20.9647 -20.9647 -20.9367 -20.9367 -20.8494 -20.8494 -20.7453 -20.7453 -20.3490 -20.3490 -20.3337 -20.3337 -20.2353 -20.2353 -20.2195 -20.2195 -20.1898 -20.1898 -20.1154 -20.1154 -20.0746 -20.0746 -20.0241 -20.0241 5.2698 5.2698 6.6004 6.6004 9.8190 9.8190 10.5682 10.5682 10.8920 10.8920 10.8923 10.8923 11.6906 11.6906 11.7685 11.7685 12.4166 12.4166 12.7563 12.7563 13.3850 13.3850 13.8188 13.8188 13.8477 13.8477 13.8820 13.8820 k = 0.0000 0.4079-0.0000 ( 3174 PWs) bands (ev): -44.1878 -44.1878 -44.1516 -44.1516 -44.1060 -44.1060 -44.1060 -44.1060 -20.9619 -20.9619 -20.9374 -20.9374 -20.8434 -20.8434 -20.7518 -20.7518 -20.3479 -20.3479 -20.3343 -20.3343 -20.2303 -20.2303 -20.2198 -20.2198 -20.1904 -20.1904 -20.1203 -20.1203 -20.0739 -20.0739 -20.0279 -20.0279 5.3448 5.3448 6.5124 6.5124 9.8731 9.8731 10.5420 10.5420 10.9233 10.9233 10.9236 10.9236 11.7325 11.7325 11.8187 11.8187 12.3711 12.3711 12.6833 12.6833 13.3799 13.3799 13.8121 13.8121 13.8759 13.8759 13.8847 13.8847 k = 0.0000 0.4211-0.0000 ( 3182 PWs) bands (ev): -44.1852 -44.1852 -44.1541 -44.1541 -44.1059 -44.1059 -44.1059 -44.1059 -20.9592 -20.9592 -20.9382 -20.9382 -20.8373 -20.8373 -20.7583 -20.7583 -20.3468 -20.3468 -20.3349 -20.3349 -20.2259 -20.2259 -20.2199 -20.2199 -20.1903 -20.1903 -20.1260 -20.1260 -20.0722 -20.0722 -20.0316 -20.0316 5.4213 5.4213 6.4245 6.4245 9.9277 9.9277 10.5111 10.5111 10.9515 10.9515 10.9517 10.9517 11.7753 11.7753 11.8704 11.8704 12.3252 12.3252 12.6118 12.6118 13.3815 13.3815 13.7684 13.7684 13.9068 13.9068 13.9209 13.9209 k = 0.0000 0.4342-0.0000 ( 3190 PWs) bands (ev): -44.1827 -44.1827 -44.1567 -44.1567 -44.1059 -44.1059 -44.1059 -44.1059 -20.9567 -20.9567 -20.9392 -20.9392 -20.8311 -20.8311 -20.7649 -20.7649 -20.3456 -20.3456 -20.3356 -20.3356 -20.2224 -20.2224 -20.2199 -20.2199 -20.1891 -20.1891 -20.1322 -20.1322 -20.0699 -20.0699 -20.0353 -20.0353 5.4992 5.4992 6.3370 6.3370 9.9825 9.9825 10.4759 10.4759 10.9761 10.9761 10.9763 10.9763 11.8188 11.8188 11.9237 11.9237 12.2789 12.2789 12.5418 12.5418 13.3895 13.3895 13.7215 13.7215 13.9408 13.9408 13.9554 13.9554 k = 0.0000 0.4474-0.0000 ( 3198 PWs) bands (ev): -44.1801 -44.1801 -44.1593 -44.1593 -44.1059 -44.1059 -44.1059 -44.1059 -20.9543 -20.9543 -20.9403 -20.9403 -20.8247 -20.8247 -20.7716 -20.7716 -20.3445 -20.3445 -20.3363 -20.3363 -20.2199 -20.2199 -20.2197 -20.2197 -20.1865 -20.1865 -20.1389 -20.1389 -20.0671 -20.0671 -20.0390 -20.0390 5.5785 5.5785 6.2499 6.2499 10.0373 10.0373 10.4368 10.4368 10.9969 10.9969 10.9971 10.9971 11.8630 11.8630 11.9786 11.9786 12.2323 12.2323 12.4732 12.4732 13.4036 13.4036 13.6753 13.6753 13.9733 13.9733 13.9872 13.9872 k = 0.0000 0.4605-0.0000 ( 3198 PWs) bands (ev): -44.1775 -44.1775 -44.1619 -44.1619 -44.1059 -44.1059 -44.1059 -44.1059 -20.9520 -20.9520 -20.9415 -20.9415 -20.8182 -20.8182 -20.7783 -20.7783 -20.3433 -20.3433 -20.3372 -20.3372 -20.2194 -20.2194 -20.2185 -20.2185 -20.1826 -20.1826 -20.1457 -20.1457 -20.0640 -20.0640 -20.0428 -20.0428 5.6590 5.6590 6.1632 6.1632 10.0919 10.0919 10.3943 10.3943 11.0134 11.0134 11.0135 11.0135 11.9079 11.9079 12.0350 12.0350 12.1856 12.1856 12.4061 12.4061 13.4233 13.4233 13.6306 13.6306 14.0026 14.0026 14.0145 14.0145 k = 0.0000 0.4737-0.0000 ( 3202 PWs) bands (ev): -44.1749 -44.1749 -44.1645 -44.1645 -44.1059 -44.1059 -44.1059 -44.1059 -20.9499 -20.9499 -20.9429 -20.9429 -20.8117 -20.8117 -20.7850 -20.7850 -20.3422 -20.3422 -20.3381 -20.3381 -20.2190 -20.2190 -20.2179 -20.2179 -20.1776 -20.1776 -20.1524 -20.1524 -20.0607 -20.0607 -20.0465 -20.0465 5.7407 5.7407 6.0772 6.0772 10.1458 10.1458 10.3488 10.3488 11.0254 11.0254 11.0255 11.0255 11.9534 11.9534 12.0929 12.0929 12.1390 12.1390 12.3405 12.3405 13.4481 13.4481 13.5879 13.5879 14.0266 14.0266 14.0355 14.0355 k = 0.0000 0.4868-0.0000 ( 3202 PWs) bands (ev): -44.1723 -44.1723 -44.1671 -44.1671 -44.1059 -44.1059 -44.1059 -44.1059 -20.9479 -20.9479 -20.9445 -20.9445 -20.8050 -20.8050 -20.7917 -20.7917 -20.3412 -20.3412 -20.3391 -20.3391 -20.2186 -20.2186 -20.2179 -20.2179 -20.1719 -20.1719 -20.1591 -20.1591 -20.0573 -20.0573 -20.0501 -20.0501 5.8235 5.8235 5.9918 5.9918 10.1989 10.1989 10.3008 10.3008 11.0327 11.0327 11.0328 11.0328 11.9993 11.9993 12.0920 12.0920 12.1527 12.1527 12.2763 12.2763 13.4775 13.4775 13.5479 13.5479 14.0433 14.0433 14.0482 14.0482 k = 0.0000 0.5000-0.0000 ( 3218 PWs) bands (ev): -44.1697 -44.1697 -44.1697 -44.1697 -44.1060 -44.1060 -44.1060 -44.1060 -20.9463 -20.9463 -20.9463 -20.9463 -20.7984 -20.7984 -20.7984 -20.7984 -20.3402 -20.3402 -20.3402 -20.3402 -20.2183 -20.2183 -20.2183 -20.2183 -20.1657 -20.1657 -20.1657 -20.1657 -20.0538 -20.0538 -20.0538 -20.0538 5.9072 5.9072 5.9072 5.9072 10.2507 10.2507 10.2507 10.2507 11.0352 11.0352 11.0352 11.0352 12.0455 12.0455 12.0455 12.0455 12.2137 12.2137 12.2137 12.2137 13.5109 13.5109 13.5109 13.5109 14.0509 14.0509 14.0509 14.0509 k = 0.0000 0.5000-0.0000 ( 3218 PWs) bands (ev): -44.1697 -44.1697 -44.1697 -44.1697 -44.1060 -44.1060 -44.1060 -44.1060 -20.9463 -20.9463 -20.9463 -20.9463 -20.7984 -20.7984 -20.7984 -20.7984 -20.3402 -20.3402 -20.3402 -20.3402 -20.2183 -20.2183 -20.2183 -20.2183 -20.1657 -20.1657 -20.1657 -20.1657 -20.0538 -20.0538 -20.0538 -20.0538 5.9072 5.9072 5.9072 5.9072 10.2507 10.2507 10.2507 10.2507 11.0352 11.0352 11.0352 11.0352 12.0455 12.0455 12.0455 12.0455 12.2137 12.2137 12.2137 12.2137 13.5109 13.5109 13.5109 13.5109 14.0509 14.0509 14.0509 14.0509 k = 0.0132 0.5000-0.0000 ( 3208 PWs) bands (ev): -44.1697 -44.1697 -44.1697 -44.1697 -44.1060 -44.1060 -44.1060 -44.1060 -20.9467 -20.9467 -20.9456 -20.9456 -20.7990 -20.7990 -20.7979 -20.7979 -20.3418 -20.3418 -20.3385 -20.3385 -20.2194 -20.2194 -20.2168 -20.2168 -20.1671 -20.1671 -20.1644 -20.1644 -20.0548 -20.0548 -20.0527 -20.0527 5.9076 5.9076 5.9077 5.9077 10.2506 10.2506 10.2511 10.2511 11.0363 11.0363 11.0365 11.0365 12.0455 12.0455 12.0457 12.0457 12.2128 12.2128 12.2132 12.2132 13.5079 13.5079 13.5089 13.5089 14.0513 14.0513 14.0532 14.0532 k = 0.0263 0.5000-0.0000 ( 3204 PWs) bands (ev): -44.1696 -44.1696 -44.1696 -44.1696 -44.1060 -44.1060 -44.1060 -44.1060 -20.9472 -20.9472 -20.9449 -20.9449 -20.7998 -20.7998 -20.7976 -20.7976 -20.3435 -20.3435 -20.3368 -20.3368 -20.2202 -20.2202 -20.2150 -20.2150 -20.1688 -20.1688 -20.1633 -20.1633 -20.0558 -20.0558 -20.0517 -20.0517 5.9090 5.9090 5.9093 5.9093 10.2508 10.2508 10.2518 10.2518 11.0397 11.0397 11.0401 11.0401 12.0457 12.0457 12.0460 12.0460 12.2104 12.2104 12.2113 12.2113 13.5000 13.5000 13.5019 13.5019 14.0544 14.0544 14.0582 14.0582 k = 0.0395 0.5000-0.0000 ( 3200 PWs) bands (ev): -44.1695 -44.1695 -44.1695 -44.1695 -44.1062 -44.1062 -44.1062 -44.1062 -20.9475 -20.9475 -20.9441 -20.9441 -20.8009 -20.8009 -20.7975 -20.7975 -20.3451 -20.3451 -20.3352 -20.3352 -20.2208 -20.2208 -20.2130 -20.2130 -20.1706 -20.1706 -20.1623 -20.1623 -20.0568 -20.0568 -20.0507 -20.0507 5.9114 5.9114 5.9119 5.9119 10.2513 10.2513 10.2529 10.2529 11.0456 11.0456 11.0462 11.0462 12.0460 12.0460 12.0464 12.0464 12.2066 12.2066 12.2079 12.2079 13.4876 13.4876 13.4902 13.4902 14.0600 14.0600 14.0654 14.0654 k = 0.0526 0.5000-0.0000 ( 3204 PWs) bands (ev): -44.1693 -44.1693 -44.1693 -44.1693 -44.1064 -44.1064 -44.1064 -44.1064 -20.9479 -20.9479 -20.9433 -20.9433 -20.8021 -20.8021 -20.7976 -20.7976 -20.3468 -20.3468 -20.3337 -20.3337 -20.2210 -20.2210 -20.2108 -20.2108 -20.1725 -20.1725 -20.1617 -20.1617 -20.0578 -20.0578 -20.0497 -20.0497 5.9148 5.9148 5.9154 5.9154 10.2521 10.2521 10.2542 10.2542 11.0537 11.0537 11.0545 11.0545 12.0464 12.0464 12.0469 12.0469 12.2015 12.2015 12.2033 12.2033 13.4711 13.4711 13.4744 13.4744 14.0676 14.0676 14.0744 14.0744 k = 0.0658 0.5000-0.0000 ( 3202 PWs) bands (ev): -44.1690 -44.1690 -44.1690 -44.1690 -44.1066 -44.1066 -44.1066 -44.1066 -20.9482 -20.9482 -20.9425 -20.9425 -20.8034 -20.8034 -20.7979 -20.7979 -20.3484 -20.3484 -20.3323 -20.3323 -20.2209 -20.2209 -20.2084 -20.2084 -20.1746 -20.1746 -20.1611 -20.1611 -20.0587 -20.0587 -20.0487 -20.0487 5.9191 5.9191 5.9199 5.9199 10.2532 10.2532 10.2558 10.2558 11.0642 11.0642 11.0652 11.0652 12.0468 12.0468 12.0474 12.0474 12.1953 12.1953 12.1975 12.1975 13.4513 13.4513 13.4551 13.4551 14.0767 14.0767 14.0847 14.0847 k = 0.0789 0.5000-0.0000 ( 3202 PWs) bands (ev): -44.1687 -44.1687 -44.1687 -44.1687 -44.1069 -44.1069 -44.1069 -44.1069 -20.9484 -20.9484 -20.9416 -20.9416 -20.8049 -20.8049 -20.7984 -20.7984 -20.3500 -20.3500 -20.3310 -20.3310 -20.2205 -20.2205 -20.2058 -20.2058 -20.1768 -20.1768 -20.1608 -20.1608 -20.0596 -20.0596 -20.0478 -20.0478 5.9244 5.9244 5.9253 5.9253 10.2547 10.2547 10.2578 10.2578 11.0770 11.0770 11.0781 11.0781 12.0472 12.0472 12.0478 12.0478 12.1882 12.1882 12.1908 12.1908 13.4287 13.4287 13.4329 13.4329 14.0869 14.0869 14.0958 14.0958 k = 0.0921 0.5000-0.0000 ( 3202 PWs) bands (ev): -44.1684 -44.1684 -44.1684 -44.1684 -44.1072 -44.1072 -44.1072 -44.1072 -20.9485 -20.9485 -20.9407 -20.9407 -20.8066 -20.8066 -20.7990 -20.7990 -20.3515 -20.3515 -20.3298 -20.3298 -20.2198 -20.2198 -20.2030 -20.2030 -20.1791 -20.1791 -20.1607 -20.1607 -20.0604 -20.0604 -20.0469 -20.0469 5.9306 5.9306 5.9316 5.9316 10.2565 10.2565 10.2601 10.2601 11.0919 11.0919 11.0932 11.0932 12.0473 12.0473 12.0480 12.0480 12.1804 12.1804 12.1834 12.1834 13.4038 13.4038 13.4083 13.4083 14.0977 14.0977 14.1073 14.1073 k = 0.1053 0.5000-0.0000 ( 3198 PWs) bands (ev): -44.1680 -44.1680 -44.1680 -44.1680 -44.1076 -44.1076 -44.1076 -44.1076 -20.9486 -20.9486 -20.9397 -20.9397 -20.8084 -20.8084 -20.7998 -20.7998 -20.3529 -20.3529 -20.3287 -20.3287 -20.2188 -20.2188 -20.2001 -20.2001 -20.1814 -20.1814 -20.1608 -20.1608 -20.0612 -20.0612 -20.0460 -20.0460 5.9376 5.9376 5.9387 5.9387 10.2587 10.2587 10.2627 10.2627 11.1090 11.1090 11.1104 11.1104 12.0470 12.0470 12.0477 12.0477 12.1723 12.1723 12.1756 12.1756 13.3773 13.3773 13.3819 13.3819 14.1087 14.1087 14.1189 14.1189 k = 0.1184 0.5000-0.0000 ( 3192 PWs) bands (ev): -44.1675 -44.1675 -44.1675 -44.1675 -44.1081 -44.1081 -44.1081 -44.1081 -20.9486 -20.9486 -20.9386 -20.9386 -20.8103 -20.8103 -20.8007 -20.8007 -20.3542 -20.3542 -20.3275 -20.3275 -20.2175 -20.2175 -20.1972 -20.1972 -20.1837 -20.1837 -20.1610 -20.1610 -20.0619 -20.0619 -20.0452 -20.0452 5.9454 5.9454 5.9467 5.9467 10.2611 10.2611 10.2656 10.2656 11.1281 11.1281 11.1297 11.1297 12.0460 12.0460 12.0468 12.0468 12.1643 12.1643 12.1679 12.1679 13.3494 13.3494 13.3540 13.3540 14.1197 14.1197 14.1303 14.1303 k = 0.1316 0.5000-0.0000 ( 3200 PWs) bands (ev): -44.1670 -44.1670 -44.1670 -44.1670 -44.1086 -44.1086 -44.1086 -44.1086 -20.9485 -20.9485 -20.9376 -20.9376 -20.8125 -20.8125 -20.8019 -20.8019 -20.3554 -20.3554 -20.3266 -20.3266 -20.2162 -20.2162 -20.1942 -20.1942 -20.1861 -20.1861 -20.1615 -20.1615 -20.0626 -20.0626 -20.0445 -20.0445 5.9540 5.9540 5.9554 5.9554 10.2640 10.2640 10.2689 10.2689 11.1492 11.1492 11.1510 11.1510 12.0441 12.0441 12.0448 12.0448 12.1569 12.1569 12.1605 12.1605 13.3205 13.3205 13.3252 13.3252 14.1305 14.1305 14.1413 14.1413 k = 0.1447 0.5000-0.0000 ( 3200 PWs) bands (ev): -44.1664 -44.1664 -44.1664 -44.1664 -44.1091 -44.1091 -44.1091 -44.1091 -20.9485 -20.9485 -20.9365 -20.9365 -20.8147 -20.8147 -20.8031 -20.8031 -20.3565 -20.3565 -20.3257 -20.3257 -20.2147 -20.2147 -20.1912 -20.1912 -20.1883 -20.1883 -20.1619 -20.1619 -20.0632 -20.0632 -20.0437 -20.0437 5.9633 5.9633 5.9648 5.9648 10.2672 10.2672 10.2724 10.2724 11.1722 11.1722 11.1741 11.1741 12.0411 12.0411 12.0415 12.0415 12.1505 12.1505 12.1541 12.1541 13.2910 13.2910 13.2957 13.2957 14.1410 14.1410 14.1518 14.1518 k = 0.1579 0.5000-0.0000 ( 3200 PWs) bands (ev): -44.1658 -44.1658 -44.1658 -44.1658 -44.1097 -44.1097 -44.1097 -44.1097 -20.9482 -20.9482 -20.9354 -20.9354 -20.8171 -20.8171 -20.8046 -20.8046 -20.3573 -20.3573 -20.3248 -20.3248 -20.2133 -20.2133 -20.1904 -20.1904 -20.1884 -20.1884 -20.1625 -20.1625 -20.0638 -20.0638 -20.0431 -20.0431 5.9732 5.9732 5.9748 5.9748 10.2707 10.2707 10.2763 10.2763 11.1970 11.1970 11.1990 11.1990 12.0366 12.0366 12.0367 12.0367 12.1455 12.1455 12.1489 12.1489 13.2611 13.2611 13.2658 13.2658 14.1509 14.1509 14.1617 14.1617 k = 0.1711 0.5000-0.0000 ( 3204 PWs) bands (ev): -44.1652 -44.1652 -44.1652 -44.1652 -44.1104 -44.1104 -44.1104 -44.1104 -20.9479 -20.9479 -20.9342 -20.9342 -20.8195 -20.8195 -20.8062 -20.8062 -20.3581 -20.3581 -20.3240 -20.3240 -20.2122 -20.2122 -20.1920 -20.1920 -20.1857 -20.1857 -20.1630 -20.1630 -20.0643 -20.0643 -20.0426 -20.0426 5.9838 5.9838 5.9855 5.9855 10.2745 10.2745 10.2805 10.2805 11.2234 11.2234 11.2255 11.2255 12.0302 12.0302 12.0306 12.0306 12.1422 12.1422 12.1453 12.1453 13.2311 13.2311 13.2357 13.2357 14.1603 14.1603 14.1710 14.1710 k = 0.1842 0.5000-0.0000 ( 3200 PWs) bands (ev): -44.1645 -44.1645 -44.1645 -44.1645 -44.1111 -44.1111 -44.1111 -44.1111 -20.9475 -20.9475 -20.9329 -20.9329 -20.8221 -20.8221 -20.8079 -20.8079 -20.3586 -20.3586 -20.3231 -20.3231 -20.2116 -20.2116 -20.1928 -20.1928 -20.1835 -20.1835 -20.1632 -20.1632 -20.0648 -20.0648 -20.0422 -20.0422 5.9949 5.9949 5.9966 5.9966 10.2787 10.2787 10.2850 10.2850 11.2512 11.2512 11.2535 11.2535 12.0224 12.0224 12.0232 12.0232 12.1406 12.1406 12.1433 12.1433 13.2010 13.2010 13.2056 13.2056 14.1690 14.1690 14.1795 14.1795 k = 0.1974 0.5000-0.0000 ( 3196 PWs) bands (ev): -44.1637 -44.1637 -44.1637 -44.1637 -44.1118 -44.1118 -44.1118 -44.1118 -20.9470 -20.9470 -20.9316 -20.9316 -20.8247 -20.8247 -20.8098 -20.8098 -20.3590 -20.3590 -20.3222 -20.3222 -20.2120 -20.2120 -20.1927 -20.1927 -20.1820 -20.1820 -20.1629 -20.1629 -20.0652 -20.0652 -20.0418 -20.0418 6.0064 6.0064 6.0082 6.0082 10.2833 10.2833 10.2898 10.2898 11.2803 11.2803 11.2827 11.2827 12.0135 12.0135 12.0147 12.0147 12.1405 12.1405 12.1429 12.1429 13.1710 13.1710 13.1755 13.1755 14.1769 14.1769 14.1873 14.1873 k = 0.2105 0.5000-0.0000 ( 3194 PWs) bands (ev): -44.1629 -44.1629 -44.1629 -44.1629 -44.1126 -44.1126 -44.1126 -44.1126 -20.9464 -20.9464 -20.9302 -20.9302 -20.8275 -20.8275 -20.8118 -20.8118 -20.3592 -20.3592 -20.3213 -20.3213 -20.2133 -20.2133 -20.1914 -20.1914 -20.1814 -20.1814 -20.1618 -20.1618 -20.0657 -20.0657 -20.0416 -20.0416 6.0183 6.0183 6.0202 6.0202 10.2881 10.2881 10.2948 10.2948 11.3105 11.3105 11.3130 11.3130 12.0040 12.0040 12.0056 12.0056 12.1417 12.1417 12.1437 12.1437 13.1413 13.1413 13.1457 13.1457 14.1841 14.1841 14.1942 14.1942 k = 0.2237 0.5000-0.0000 ( 3192 PWs) bands (ev): -44.1621 -44.1621 -44.1621 -44.1621 -44.1134 -44.1134 -44.1134 -44.1134 -20.9458 -20.9458 -20.9289 -20.9289 -20.8302 -20.8302 -20.8139 -20.8139 -20.3593 -20.3593 -20.3205 -20.3205 -20.2153 -20.2153 -20.1894 -20.1894 -20.1818 -20.1818 -20.1600 -20.1600 -20.0660 -20.0660 -20.0414 -20.0414 6.0305 6.0305 6.0324 6.0324 10.2932 10.2932 10.3001 10.3001 11.3415 11.3415 11.3442 11.3442 11.9945 11.9945 11.9964 11.9964 12.1440 12.1440 12.1457 12.1457 13.1118 13.1118 13.1161 13.1161 14.1902 14.1902 14.2000 14.2000 k = 0.2368 0.5000-0.0000 ( 3192 PWs) bands (ev): -44.1612 -44.1612 -44.1612 -44.1612 -44.1143 -44.1143 -44.1143 -44.1143 -20.9450 -20.9450 -20.9274 -20.9274 -20.8331 -20.8331 -20.8161 -20.8161 -20.3591 -20.3591 -20.3197 -20.3197 -20.2177 -20.2177 -20.1868 -20.1868 -20.1829 -20.1829 -20.1576 -20.1576 -20.0664 -20.0664 -20.0413 -20.0413 6.0429 6.0429 6.0449 6.0449 10.2986 10.2986 10.3057 10.3057 11.3729 11.3729 11.3758 11.3758 11.9855 11.9855 11.9876 11.9876 12.1471 12.1471 12.1484 12.1484 13.0826 13.0826 13.0868 13.0868 14.1950 14.1950 14.2045 14.2045 k = 0.2500 0.5000-0.0000 ( 3196 PWs) bands (ev): -44.1603 -44.1603 -44.1603 -44.1603 -44.1152 -44.1152 -44.1152 -44.1152 -20.9442 -20.9442 -20.9260 -20.9260 -20.8360 -20.8360 -20.8184 -20.8184 -20.3588 -20.3588 -20.3188 -20.3188 -20.2205 -20.2205 -20.1846 -20.1846 -20.1839 -20.1839 -20.1549 -20.1549 -20.0667 -20.0667 -20.0413 -20.0413 6.0555 6.0555 6.0575 6.0575 10.3042 10.3042 10.3114 10.3114 11.4045 11.4045 11.4075 11.4075 11.9776 11.9776 11.9797 11.9797 12.1507 12.1507 12.1519 12.1519 13.0538 13.0538 13.0579 13.0579 14.1983 14.1983 14.2074 14.2074 k = 0.2632 0.5000-0.0000 ( 3184 PWs) bands (ev): -44.1593 -44.1593 -44.1593 -44.1593 -44.1161 -44.1161 -44.1161 -44.1161 -20.9432 -20.9432 -20.9245 -20.9245 -20.8389 -20.8389 -20.8208 -20.8208 -20.3582 -20.3582 -20.3179 -20.3179 -20.2233 -20.2233 -20.1867 -20.1867 -20.1807 -20.1807 -20.1519 -20.1519 -20.0670 -20.0670 -20.0415 -20.0415 6.0681 6.0681 6.0701 6.0701 10.3100 10.3100 10.3172 10.3172 11.4356 11.4356 11.4389 11.4389 11.9713 11.9713 11.9734 11.9734 12.1548 12.1548 12.1558 12.1558 13.0253 13.0253 13.0293 13.0293 14.1995 14.1995 14.2081 14.2081 k = 0.2763 0.5000-0.0000 ( 3188 PWs) bands (ev): -44.1583 -44.1583 -44.1583 -44.1583 -44.1171 -44.1171 -44.1171 -44.1171 -20.9422 -20.9422 -20.9231 -20.9231 -20.8418 -20.8418 -20.8233 -20.8233 -20.3575 -20.3575 -20.3170 -20.3170 -20.2262 -20.2262 -20.1892 -20.1892 -20.1774 -20.1774 -20.1488 -20.1488 -20.0673 -20.0673 -20.0417 -20.0417 6.0807 6.0807 6.0827 6.0827 10.3159 10.3159 10.3232 10.3232 11.4659 11.4659 11.4693 11.4693 11.9672 11.9672 11.9693 11.9693 12.1593 12.1593 12.1600 12.1600 12.9971 12.9971 13.0010 13.0010 14.1982 14.1982 14.2062 14.2062 k = 0.2895 0.5000-0.0000 ( 3190 PWs) bands (ev): -44.1573 -44.1573 -44.1573 -44.1573 -44.1181 -44.1181 -44.1181 -44.1181 -20.9411 -20.9411 -20.9216 -20.9216 -20.8448 -20.8448 -20.8258 -20.8258 -20.3567 -20.3567 -20.3161 -20.3161 -20.2292 -20.2292 -20.1918 -20.1918 -20.1740 -20.1740 -20.1458 -20.1458 -20.0676 -20.0676 -20.0421 -20.0421 6.0931 6.0931 6.0951 6.0951 10.3220 10.3220 10.3293 10.3293 11.4946 11.4946 11.4983 11.4983 11.9661 11.9661 11.9680 11.9680 12.1639 12.1639 12.1645 12.1645 12.9692 12.9692 12.9729 12.9729 14.1940 14.1940 14.2012 14.2012 k = 0.3026 0.5000-0.0000 ( 3194 PWs) bands (ev): -44.1562 -44.1562 -44.1562 -44.1562 -44.1191 -44.1191 -44.1191 -44.1191 -20.9399 -20.9399 -20.9201 -20.9201 -20.8477 -20.8477 -20.8284 -20.8284 -20.3556 -20.3556 -20.3152 -20.3152 -20.2321 -20.2321 -20.1947 -20.1947 -20.1705 -20.1705 -20.1428 -20.1428 -20.0679 -20.0679 -20.0426 -20.0426 6.1054 6.1054 6.1073 6.1073 10.3281 10.3281 10.3353 10.3353 11.5211 11.5211 11.5250 11.5250 11.9686 11.9686 11.9703 11.9703 12.1686 12.1686 12.1692 12.1692 12.9415 12.9415 12.9451 12.9451 14.1867 14.1867 14.1932 14.1932 k = 0.3158 0.5000-0.0000 ( 3190 PWs) bands (ev): -44.1552 -44.1552 -44.1552 -44.1552 -44.1202 -44.1202 -44.1202 -44.1202 -20.9387 -20.9387 -20.9187 -20.9187 -20.8504 -20.8504 -20.8310 -20.8310 -20.3544 -20.3544 -20.3144 -20.3144 -20.2348 -20.2348 -20.1976 -20.1976 -20.1670 -20.1670 -20.1398 -20.1398 -20.0680 -20.0680 -20.0431 -20.0431 6.1173 6.1173 6.1192 6.1192 10.3343 10.3343 10.3414 10.3414 11.5447 11.5447 11.5488 11.5488 11.9754 11.9754 11.9768 11.9768 12.1735 12.1735 12.1739 12.1739 12.9138 12.9138 12.9173 12.9173 14.1767 14.1767 14.1823 14.1823 k = 0.3289 0.5000-0.0000 ( 3190 PWs) bands (ev): -44.1540 -44.1540 -44.1540 -44.1540 -44.1213 -44.1213 -44.1213 -44.1213 -20.9373 -20.9373 -20.9173 -20.9173 -20.8532 -20.8532 -20.8337 -20.8337 -20.3530 -20.3530 -20.3137 -20.3137 -20.2374 -20.2374 -20.2007 -20.2007 -20.1635 -20.1635 -20.1371 -20.1371 -20.0682 -20.0682 -20.0438 -20.0438 6.1289 6.1289 6.1307 6.1307 10.3404 10.3404 10.3473 10.3473 11.5648 11.5648 11.5692 11.5692 11.9870 11.9870 11.9880 11.9880 12.1782 12.1782 12.1786 12.1786 12.8862 12.8862 12.8896 12.8896 14.1643 14.1643 14.1692 14.1692 k = 0.3421 0.5000-0.0000 ( 3196 PWs) bands (ev): -44.1529 -44.1529 -44.1529 -44.1529 -44.1224 -44.1224 -44.1224 -44.1224 -20.9359 -20.9359 -20.9159 -20.9159 -20.8558 -20.8558 -20.8364 -20.8364 -20.3515 -20.3515 -20.3131 -20.3131 -20.2399 -20.2399 -20.2039 -20.2039 -20.1601 -20.1601 -20.1346 -20.1346 -20.0683 -20.0683 -20.0445 -20.0445 6.1400 6.1400 6.1417 6.1417 10.3465 10.3465 10.3531 10.3531 11.5812 11.5812 11.5857 11.5857 12.0036 12.0036 12.0042 12.0042 12.1830 12.1830 12.1832 12.1832 12.8586 12.8586 12.8617 12.8617 14.1505 14.1505 14.1546 14.1546 k = 0.3553 0.5000-0.0000 ( 3192 PWs) bands (ev): -44.1517 -44.1517 -44.1517 -44.1517 -44.1236 -44.1236 -44.1236 -44.1236 -20.9344 -20.9344 -20.9146 -20.9146 -20.8583 -20.8583 -20.8391 -20.8391 -20.3497 -20.3497 -20.3126 -20.3126 -20.2420 -20.2420 -20.2071 -20.2071 -20.1567 -20.1567 -20.1322 -20.1322 -20.0683 -20.0683 -20.0454 -20.0454 6.1506 6.1506 6.1522 6.1522 10.3524 10.3524 10.3587 10.3587 11.5938 11.5938 11.5983 11.5983 12.0250 12.0250 12.0253 12.0253 12.1876 12.1876 12.1878 12.1878 12.8307 12.8307 12.8337 12.8337 14.1357 14.1357 14.1392 14.1392 k = 0.3684 0.5000-0.0000 ( 3192 PWs) bands (ev): -44.1505 -44.1505 -44.1505 -44.1505 -44.1248 -44.1248 -44.1248 -44.1248 -20.9328 -20.9328 -20.9135 -20.9135 -20.8606 -20.8606 -20.8418 -20.8418 -20.3479 -20.3479 -20.3123 -20.3123 -20.2439 -20.2439 -20.2103 -20.2103 -20.1534 -20.1534 -20.1301 -20.1301 -20.0682 -20.0682 -20.0463 -20.0463 6.1605 6.1605 6.1621 6.1621 10.3581 10.3581 10.3641 10.3641 11.6029 11.6029 11.6074 11.6074 12.0508 12.0508 12.0509 12.0509 12.1920 12.1920 12.1923 12.1923 12.8025 12.8025 12.8053 12.8053 14.1207 14.1207 14.1236 14.1236 k = 0.3816 0.5000-0.0000 ( 3192 PWs) bands (ev): -44.1493 -44.1493 -44.1493 -44.1493 -44.1260 -44.1260 -44.1260 -44.1260 -20.9311 -20.9311 -20.9125 -20.9125 -20.8626 -20.8626 -20.8444 -20.8444 -20.3459 -20.3459 -20.3123 -20.3123 -20.2454 -20.2454 -20.2136 -20.2136 -20.1501 -20.1501 -20.1282 -20.1282 -20.0679 -20.0679 -20.0474 -20.0474 6.1697 6.1697 6.1712 6.1712 10.3635 10.3635 10.3691 10.3691 11.6091 11.6091 11.6134 11.6134 12.0801 12.0801 12.0802 12.0802 12.1964 12.1964 12.1967 12.1967 12.7739 12.7739 12.7766 12.7766 14.1060 14.1060 14.1084 14.1084 k = 0.3947 0.5000-0.0000 ( 3196 PWs) bands (ev): -44.1481 -44.1481 -44.1481 -44.1481 -44.1272 -44.1272 -44.1272 -44.1272 -20.9294 -20.9294 -20.9117 -20.9117 -20.8644 -20.8644 -20.8471 -20.8471 -20.3438 -20.3438 -20.3126 -20.3126 -20.2465 -20.2465 -20.2169 -20.2169 -20.1470 -20.1470 -20.1268 -20.1268 -20.0676 -20.0676 -20.0486 -20.0486 6.1782 6.1782 6.1795 6.1795 10.3686 10.3686 10.3737 10.3737 11.6131 11.6131 11.6171 11.6171 12.1119 12.1119 12.1124 12.1124 12.2008 12.2008 12.2011 12.2011 12.7449 12.7449 12.7474 12.7474 14.0920 14.0920 14.0940 14.0940 k = 0.4079 0.5000-0.0000 ( 3196 PWs) bands (ev): -44.1468 -44.1468 -44.1468 -44.1468 -44.1284 -44.1284 -44.1284 -44.1284 -20.9277 -20.9277 -20.9111 -20.9111 -20.8659 -20.8659 -20.8497 -20.8497 -20.3416 -20.3416 -20.3131 -20.3131 -20.2472 -20.2472 -20.2201 -20.2201 -20.1439 -20.1439 -20.1256 -20.1256 -20.0671 -20.0671 -20.0498 -20.0498 6.1859 6.1859 6.1871 6.1871 10.3733 10.3733 10.3779 10.3779 11.6152 11.6152 11.6189 11.6189 12.1451 12.1451 12.1458 12.1458 12.2056 12.2056 12.2060 12.2060 12.7153 12.7153 12.7177 12.7177 14.0793 14.0793 14.0808 14.0808 k = 0.4211 0.5000-0.0000 ( 3190 PWs) bands (ev): -44.1456 -44.1456 -44.1456 -44.1456 -44.1297 -44.1297 -44.1297 -44.1297 -20.9259 -20.9259 -20.9108 -20.9108 -20.8669 -20.8669 -20.8521 -20.8521 -20.3393 -20.3393 -20.3140 -20.3140 -20.2474 -20.2474 -20.2233 -20.2233 -20.1411 -20.1411 -20.1249 -20.1249 -20.0664 -20.0664 -20.0511 -20.0511 6.1927 6.1927 6.1937 6.1937 10.3776 10.3776 10.3817 10.3817 11.6163 11.6163 11.6195 11.6195 12.1763 12.1763 12.1774 12.1774 12.2131 12.2131 12.2138 12.2138 12.6854 12.6854 12.6876 12.6876 14.0680 14.0680 14.0692 14.0692 k = 0.4342 0.5000-0.0000 ( 3184 PWs) bands (ev): -44.1443 -44.1443 -44.1443 -44.1443 -44.1309 -44.1309 -44.1309 -44.1309 -20.9240 -20.9240 -20.9108 -20.9108 -20.8675 -20.8675 -20.8546 -20.8546 -20.3368 -20.3368 -20.3151 -20.3151 -20.2471 -20.2471 -20.2264 -20.2264 -20.1383 -20.1383 -20.1244 -20.1244 -20.0655 -20.0655 -20.0524 -20.0524 6.1985 6.1985 6.1994 6.1994 10.3814 10.3814 10.3848 10.3848 11.6165 11.6165 11.6193 11.6193 12.1965 12.1965 12.1975 12.1975 12.2322 12.2322 12.2326 12.2326 12.6554 12.6554 12.6573 12.6573 14.0584 14.0584 14.0593 14.0593 k = 0.4474 0.5000-0.0000 ( 3184 PWs) bands (ev): -44.1431 -44.1431 -44.1431 -44.1431 -44.1322 -44.1322 -44.1322 -44.1322 -20.9222 -20.9222 -20.9111 -20.9111 -20.8677 -20.8677 -20.8569 -20.8569 -20.3344 -20.3344 -20.3166 -20.3166 -20.2464 -20.2464 -20.2294 -20.2294 -20.1358 -20.1358 -20.1244 -20.1244 -20.0646 -20.0646 -20.0538 -20.0538 6.2034 6.2034 6.2041 6.2041 10.3846 10.3846 10.3874 10.3874 11.6164 11.6164 11.6187 11.6187 12.2040 12.2040 12.2045 12.2045 12.2631 12.2631 12.2631 12.2631 12.6256 12.6256 12.6273 12.6273 14.0507 14.0507 14.0513 14.0513 k = 0.4605 0.5000-0.0000 ( 3176 PWs) bands (ev): -44.1418 -44.1418 -44.1418 -44.1418 -44.1334 -44.1334 -44.1334 -44.1334 -20.9204 -20.9204 -20.9118 -20.9118 -20.8675 -20.8675 -20.8590 -20.8590 -20.3320 -20.3320 -20.3183 -20.3183 -20.2453 -20.2453 -20.2323 -20.2323 -20.1334 -20.1334 -20.1247 -20.1247 -20.0634 -20.0634 -20.0552 -20.0552 6.2072 6.2072 6.2077 6.2077 10.3873 10.3873 10.3894 10.3894 11.6161 11.6161 11.6179 11.6179 12.2074 12.2074 12.2077 12.2077 12.2951 12.2951 12.2953 12.2953 12.5970 12.5970 12.5984 12.5984 14.0448 14.0448 14.0452 14.0452 k = 0.4737 0.5000-0.0000 ( 3176 PWs) bands (ev): -44.1406 -44.1406 -44.1406 -44.1406 -44.1346 -44.1346 -44.1346 -44.1346 -20.9187 -20.9187 -20.9127 -20.9127 -20.8669 -20.8669 -20.8611 -20.8611 -20.3295 -20.3295 -20.3202 -20.3202 -20.2439 -20.2439 -20.2350 -20.2350 -20.1313 -20.1313 -20.1254 -20.1254 -20.0622 -20.0622 -20.0566 -20.0566 6.2100 6.2100 6.2104 6.2104 10.3893 10.3893 10.3907 10.3907 11.6159 11.6159 11.6171 11.6171 12.2094 12.2094 12.2096 12.2096 12.3238 12.3238 12.3242 12.3242 12.5715 12.5715 12.5726 12.5726 14.0407 14.0407 14.0409 14.0409 k = 0.4868 0.5000-0.0000 ( 3176 PWs) bands (ev): -44.1396 -44.1396 -44.1396 -44.1396 -44.1356 -44.1356 -44.1356 -44.1356 -20.9170 -20.9170 -20.9140 -20.9140 -20.8658 -20.8658 -20.8629 -20.8629 -20.3270 -20.3270 -20.3224 -20.3224 -20.2421 -20.2421 -20.2376 -20.2376 -20.1294 -20.1294 -20.1264 -20.1264 -20.0609 -20.0609 -20.0581 -20.0581 6.2117 6.2117 6.2119 6.2119 10.3907 10.3907 10.3914 10.3914 11.6158 11.6158 11.6164 11.6164 12.2105 12.2105 12.2106 12.2106 12.3450 12.3450 12.3452 12.3452 12.5528 12.5528 12.5534 12.5534 14.0383 14.0383 14.0384 14.0384 k = 0.5000 0.5000-0.0000 ( 3168 PWs) bands (ev): -44.1391 -44.1391 -44.1391 -44.1391 -44.1361 -44.1361 -44.1361 -44.1361 -20.9153 -20.9153 -20.9153 -20.9153 -20.8645 -20.8645 -20.8645 -20.8645 -20.3246 -20.3246 -20.3246 -20.3246 -20.2399 -20.2399 -20.2399 -20.2399 -20.1277 -20.1277 -20.1277 -20.1277 -20.0595 -20.0595 -20.0595 -20.0595 6.2124 6.2124 6.2124 6.2124 10.3914 10.3914 10.3914 10.3914 11.6160 11.6160 11.6160 11.6160 12.2109 12.2109 12.2109 12.2109 12.3531 12.3531 12.3531 12.3531 12.5458 12.5458 12.5458 12.5458 14.0376 14.0376 14.0376 14.0376 k = 0.5000 0.5000-0.0000 ( 3168 PWs) bands (ev): -44.1391 -44.1391 -44.1391 -44.1391 -44.1361 -44.1361 -44.1361 -44.1361 -20.9153 -20.9153 -20.9153 -20.9153 -20.8645 -20.8645 -20.8645 -20.8645 -20.3246 -20.3246 -20.3246 -20.3246 -20.2399 -20.2399 -20.2399 -20.2399 -20.1277 -20.1277 -20.1277 -20.1277 -20.0595 -20.0595 -20.0595 -20.0595 6.2124 6.2124 6.2124 6.2124 10.3914 10.3914 10.3914 10.3914 11.6160 11.6160 11.6160 11.6160 12.2109 12.2109 12.2109 12.2109 12.3531 12.3531 12.3531 12.3531 12.5458 12.5458 12.5458 12.5458 14.0376 14.0376 14.0376 14.0376 k = 0.4906 0.4906-0.0000 ( 3180 PWs) bands (ev): -44.1400 -44.1400 -44.1391 -44.1391 -44.1361 -44.1361 -44.1352 -44.1352 -20.9170 -20.9170 -20.9139 -20.9139 -20.8659 -20.8659 -20.8629 -20.8629 -20.3271 -20.3271 -20.3224 -20.3224 -20.2421 -20.2421 -20.2376 -20.2376 -20.1295 -20.1295 -20.1264 -20.1264 -20.0610 -20.0610 -20.0581 -20.0581 6.2098 6.2098 6.2138 6.2138 10.3899 10.3899 10.3921 10.3921 11.6158 11.6158 11.6165 11.6165 12.2094 12.2094 12.2116 12.2116 12.3375 12.3375 12.3528 12.3528 12.5451 12.5451 12.5609 12.5609 14.0376 14.0376 14.0392 14.0392 k = 0.4811 0.4811-0.0000 ( 3184 PWs) bands (ev): -44.1418 -44.1418 -44.1390 -44.1390 -44.1360 -44.1360 -44.1337 -44.1337 -20.9188 -20.9188 -20.9127 -20.9127 -20.8671 -20.8671 -20.8609 -20.8609 -20.3296 -20.3296 -20.3202 -20.3202 -20.2440 -20.2440 -20.2349 -20.2349 -20.1314 -20.1314 -20.1254 -20.1254 -20.0624 -20.0624 -20.0565 -20.0565 6.2020 6.2020 6.2182 6.2182 10.3859 10.3859 10.3940 10.3940 11.6156 11.6156 11.6174 11.6174 12.2051 12.2051 12.2139 12.2139 12.2998 12.2998 12.3521 12.3521 12.5432 12.5432 12.5968 12.5968 14.0378 14.0378 14.0440 14.0440 k = 0.4717 0.4717-0.0000 ( 3184 PWs) bands (ev): -44.1437 -44.1437 -44.1388 -44.1388 -44.1359 -44.1359 -44.1320 -44.1320 -20.9206 -20.9206 -20.9116 -20.9116 -20.8681 -20.8681 -20.8585 -20.8585 -20.3321 -20.3321 -20.3181 -20.3181 -20.2457 -20.2457 -20.2319 -20.2319 -20.1336 -20.1336 -20.1247 -20.1247 -20.0638 -20.0638 -20.0548 -20.0548 6.1892 6.1892 6.2255 6.2255 10.3792 10.3792 10.3971 10.3971 11.6153 11.6153 11.6188 11.6188 12.1979 12.1979 12.2176 12.2176 12.2521 12.2521 12.3510 12.3510 12.5402 12.5402 12.6417 12.6417 14.0384 14.0384 14.0519 14.0519 k = 0.4623 0.4623-0.0000 ( 3188 PWs) bands (ev): -44.1457 -44.1457 -44.1387 -44.1387 -44.1357 -44.1357 -44.1304 -44.1304 -20.9225 -20.9225 -20.9108 -20.9108 -20.8690 -20.8690 -20.8557 -20.8557 -20.3347 -20.3347 -20.3163 -20.3163 -20.2473 -20.2473 -20.2286 -20.2286 -20.1359 -20.1359 -20.1243 -20.1243 -20.0654 -20.0654 -20.0530 -20.0530 6.1715 6.1715 6.2357 6.2357 10.3697 10.3697 10.4014 10.4014 11.6149 11.6149 11.6204 11.6204 12.1879 12.1879 12.1999 12.1999 12.2226 12.2226 12.3501 12.3501 12.5363 12.5363 12.6899 12.6899 14.0397 14.0397 14.0629 14.0629 k = 0.4528 0.4528-0.0000 ( 3185 PWs) bands (ev): -44.1478 -44.1478 -44.1384 -44.1384 -44.1355 -44.1355 -44.1288 -44.1288 -20.9244 -20.9244 -20.9101 -20.9101 -20.8698 -20.8698 -20.8525 -20.8525 -20.3372 -20.3372 -20.3146 -20.3146 -20.2486 -20.2486 -20.2250 -20.2250 -20.1385 -20.1385 -20.1243 -20.1243 -20.0670 -20.0670 -20.0511 -20.0511 6.1489 6.1489 6.2488 6.2488 10.3574 10.3574 10.4067 10.4067 11.6142 11.6142 11.6220 11.6220 12.1455 12.1455 12.1752 12.1752 12.2287 12.2287 12.3499 12.3499 12.5318 12.5318 12.7393 12.7393 14.0419 14.0419 14.0769 14.0769 k = 0.4434 0.4434-0.0000 ( 3191 PWs) bands (ev): -44.1500 -44.1500 -44.1381 -44.1381 -44.1352 -44.1352 -44.1273 -44.1273 -20.9265 -20.9265 -20.9097 -20.9097 -20.8706 -20.8706 -20.8489 -20.8489 -20.3398 -20.3398 -20.3131 -20.3131 -20.2499 -20.2499 -20.2211 -20.2211 -20.1412 -20.1412 -20.1246 -20.1246 -20.0687 -20.0687 -20.0490 -20.0490 6.1217 6.1217 6.2648 6.2648 10.3424 10.3424 10.4129 10.4129 11.6130 11.6130 11.6233 11.6233 12.0901 12.0901 12.1599 12.1599 12.2356 12.2356 12.3511 12.3511 12.5271 12.5271 12.7887 12.7887 14.0452 14.0452 14.0938 14.0938 k = 0.4340 0.4340-0.0000 ( 3195 PWs) bands (ev): -44.1522 -44.1522 -44.1377 -44.1377 -44.1349 -44.1349 -44.1258 -44.1258 -20.9285 -20.9285 -20.9094 -20.9094 -20.8715 -20.8715 -20.8449 -20.8449 -20.3422 -20.3422 -20.3118 -20.3118 -20.2511 -20.2511 -20.2169 -20.2169 -20.1440 -20.1440 -20.1252 -20.1252 -20.0706 -20.0706 -20.0467 -20.0467 6.0901 6.0901 6.2836 6.2836 10.3246 10.3246 10.4198 10.4198 11.6113 11.6113 11.6238 11.6238 12.0342 12.0342 12.1422 12.1422 12.2429 12.2429 12.3544 12.3544 12.5226 12.5226 12.8377 12.8377 14.0497 14.0497 14.1134 14.1134 k = 0.4245 0.4245-0.0000 ( 3191 PWs) bands (ev): -44.1544 -44.1544 -44.1373 -44.1373 -44.1345 -44.1345 -44.1244 -44.1244 -20.9305 -20.9305 -20.9093 -20.9093 -20.8723 -20.8723 -20.8406 -20.8406 -20.3445 -20.3445 -20.3106 -20.3106 -20.2521 -20.2521 -20.2123 -20.2123 -20.1468 -20.1468 -20.1260 -20.1260 -20.0725 -20.0725 -20.0444 -20.0444 6.0543 6.0543 6.3052 6.3052 10.3041 10.3041 10.4272 10.4272 11.6086 11.6086 11.6230 11.6230 11.9784 11.9784 12.1222 12.1222 12.2506 12.2506 12.3608 12.3608 12.5188 12.5188 12.8858 12.8858 14.0555 14.0555 14.1357 14.1357 k = 0.4151 0.4151-0.0000 ( 3189 PWs) bands (ev): -44.1567 -44.1567 -44.1368 -44.1368 -44.1340 -44.1340 -44.1230 -44.1230 -20.9326 -20.9326 -20.9093 -20.9093 -20.8731 -20.8731 -20.8358 -20.8358 -20.3468 -20.3468 -20.3096 -20.3096 -20.2532 -20.2532 -20.2075 -20.2075 -20.1498 -20.1498 -20.1271 -20.1271 -20.0746 -20.0746 -20.0418 -20.0418 6.0147 6.0147 6.3295 6.3295 10.2808 10.2808 10.4348 10.4348 11.6045 11.6045 11.6205 11.6205 11.9233 11.9233 12.1000 12.1000 12.2586 12.2586 12.3708 12.3708 12.5161 12.5161 12.9329 12.9329 14.0626 14.0626 14.1604 14.1604 k = 0.4057 0.4057-0.0000 ( 3197 PWs) bands (ev): -44.1590 -44.1590 -44.1363 -44.1363 -44.1336 -44.1336 -44.1217 -44.1217 -20.9346 -20.9346 -20.9095 -20.9095 -20.8741 -20.8741 -20.8308 -20.8308 -20.3489 -20.3489 -20.3089 -20.3089 -20.2542 -20.2542 -20.2024 -20.2024 -20.1528 -20.1528 -20.1285 -20.1285 -20.0769 -20.0769 -20.0392 -20.0392 5.9714 5.9714 6.3566 6.3566 10.2549 10.2549 10.4425 10.4425 11.5981 11.5981 11.6157 11.6157 11.8698 11.8698 12.0759 12.0759 12.2673 12.2673 12.3846 12.3846 12.5150 12.5150 12.9787 12.9787 14.0711 14.0711 14.1875 14.1884 k = 0.3962 0.3962-0.0000 ( 3195 PWs) bands (ev): -44.1614 -44.1614 -44.1357 -44.1357 -44.1331 -44.1331 -44.1205 -44.1205 -20.9367 -20.9367 -20.9097 -20.9097 -20.8751 -20.8751 -20.8255 -20.8255 -20.3509 -20.3509 -20.3083 -20.3083 -20.2553 -20.2553 -20.1971 -20.1971 -20.1557 -20.1557 -20.1300 -20.1300 -20.0793 -20.0793 -20.0364 -20.0364 5.9248 5.9248 6.3863 6.3863 10.2265 10.2265 10.4500 10.4500 11.5881 11.5881 11.6081 11.6081 11.8190 11.8190 12.0499 12.0499 12.2771 12.2771 12.4023 12.4023 12.5160 12.5160 13.0230 13.0230 14.0807 14.0807 14.1646 14.1646 k = 0.3868 0.3868-0.0000 ( 3195 PWs) bands (ev): -44.1637 -44.1637 -44.1351 -44.1351 -44.1325 -44.1325 -44.1193 -44.1193 -20.9387 -20.9387 -20.9101 -20.9101 -20.8762 -20.8762 -20.8199 -20.8199 -20.3527 -20.3527 -20.3078 -20.3078 -20.2563 -20.2563 -20.1915 -20.1915 -20.1586 -20.1586 -20.1317 -20.1317 -20.0818 -20.0818 -20.0337 -20.0337 5.8752 5.8752 6.4187 6.4187 10.1957 10.1957 10.4569 10.4569 11.5728 11.5728 11.5973 11.5973 11.7727 11.7727 12.0223 12.0223 12.2887 12.2887 12.4237 12.4237 12.5197 12.5197 13.0658 13.0658 14.0907 14.0907 14.1274 14.1274 k = 0.3774 0.3774-0.0000 ( 3187 PWs) bands (ev): -44.1661 -44.1661 -44.1345 -44.1345 -44.1319 -44.1319 -44.1182 -44.1182 -20.9408 -20.9408 -20.9104 -20.9104 -20.8773 -20.8773 -20.8142 -20.8142 -20.3544 -20.3544 -20.3075 -20.3075 -20.2574 -20.2574 -20.1860 -20.1860 -20.1614 -20.1614 -20.1333 -20.1333 -20.0842 -20.0842 -20.0309 -20.0309 5.8229 5.8229 6.4537 6.4537 10.1626 10.1626 10.4630 10.4630 11.5498 11.5498 11.5831 11.5831 11.7332 11.7332 11.9932 11.9932 12.3027 12.3027 12.4487 12.4487 12.5264 12.5264 13.1068 13.1068 14.0832 14.0832 14.1092 14.1092 k = 0.3679 0.3679-0.0000 ( 3179 PWs) bands (ev): -44.1685 -44.1685 -44.1338 -44.1338 -44.1313 -44.1313 -44.1171 -44.1171 -20.9429 -20.9429 -20.9109 -20.9109 -20.8785 -20.8785 -20.8083 -20.8083 -20.3558 -20.3558 -20.3074 -20.3074 -20.2585 -20.2585 -20.1805 -20.1805 -20.1638 -20.1638 -20.1352 -20.1352 -20.0868 -20.0868 -20.0280 -20.0280 5.7682 5.7682 6.4911 6.4911 10.1275 10.1275 10.4681 10.4681 11.5173 11.5173 11.5653 11.5653 11.7021 11.7021 11.9629 11.9629 12.3194 12.3194 12.4770 12.4770 12.5367 12.5367 13.1459 13.1459 14.0476 14.0476 14.1207 14.1207 k = 0.3585 0.3585-0.0000 ( 3183 PWs) bands (ev): -44.1710 -44.1710 -44.1330 -44.1330 -44.1306 -44.1306 -44.1161 -44.1161 -20.9451 -20.9451 -20.9115 -20.9115 -20.8798 -20.8798 -20.8021 -20.8021 -20.3571 -20.3571 -20.3074 -20.3074 -20.2598 -20.2598 -20.1758 -20.1758 -20.1652 -20.1652 -20.1371 -20.1371 -20.0895 -20.0895 -20.0251 -20.0251 5.7114 5.7114 6.5310 6.5310 10.0905 10.0905 10.4719 10.4719 11.4760 11.4760 11.5441 11.5441 11.6785 11.6785 11.9313 11.9313 12.3388 12.3388 12.5086 12.5086 12.5508 12.5508 13.1831 13.1831 14.0104 14.0104 14.1354 14.1354 k = 0.3491 0.3491-0.0000 ( 3195 PWs) bands (ev): -44.1734 -44.1734 -44.1323 -44.1323 -44.1299 -44.1299 -44.1152 -44.1152 -20.9473 -20.9473 -20.9122 -20.9122 -20.8813 -20.8813 -20.7959 -20.7959 -20.3583 -20.3583 -20.3077 -20.3077 -20.2612 -20.2612 -20.1742 -20.1742 -20.1634 -20.1634 -20.1390 -20.1390 -20.0922 -20.0922 -20.0222 -20.0222 5.6528 5.6528 6.5732 6.5732 10.0519 10.0519 10.4741 10.4741 11.4283 11.4283 11.5194 11.5194 11.6600 11.6600 11.8989 11.8989 12.3610 12.3610 12.5434 12.5434 12.5692 12.5692 13.2181 13.2181 13.9734 13.9734 14.1516 14.1516 k = 0.3396 0.3396-0.0000 ( 3199 PWs) bands (ev): -44.1758 -44.1758 -44.1315 -44.1315 -44.1292 -44.1292 -44.1143 -44.1143 -20.9497 -20.9497 -20.9128 -20.9128 -20.8828 -20.8828 -20.7895 -20.7895 -20.3592 -20.3592 -20.3081 -20.3081 -20.2627 -20.2627 -20.1755 -20.1755 -20.1584 -20.1584 -20.1408 -20.1408 -20.0948 -20.0948 -20.0193 -20.0193 5.5927 5.5927 6.6177 6.6177 10.0118 10.0118 10.4747 10.4747 11.3765 11.3765 11.4915 11.4915 11.6443 11.6443 11.8656 11.8656 12.3857 12.3857 12.5814 12.5814 12.5923 12.5923 13.2509 13.2509 13.9367 13.9367 14.1691 14.1691 k = 0.3302 0.3302-0.0000 ( 3203 PWs) bands (ev): -44.1783 -44.1783 -44.1306 -44.1306 -44.1284 -44.1284 -44.1135 -44.1135 -20.9521 -20.9521 -20.9136 -20.9136 -20.8844 -20.8844 -20.7832 -20.7832 -20.3600 -20.3600 -20.3085 -20.3085 -20.2643 -20.2643 -20.1777 -20.1777 -20.1528 -20.1528 -20.1423 -20.1423 -20.0974 -20.0974 -20.0164 -20.0164 5.5313 5.5313 6.6644 6.6644 9.9704 9.9704 10.4734 10.4734 11.3224 11.3224 11.4606 11.4606 11.6296 11.6296 11.8317 11.8317 12.4127 12.4127 12.6195 12.6195 12.6232 12.6232 13.2813 13.2813 13.9006 13.9006 14.1877 14.1877 k = 0.3208 0.3208-0.0000 ( 3195 PWs) bands (ev): -44.1807 -44.1807 -44.1298 -44.1298 -44.1276 -44.1276 -44.1128 -44.1128 -20.9545 -20.9545 -20.9143 -20.9143 -20.8859 -20.8859 -20.7765 -20.7765 -20.3607 -20.3607 -20.3091 -20.3091 -20.2660 -20.2660 -20.1801 -20.1801 -20.1479 -20.1479 -20.1424 -20.1424 -20.0998 -20.0998 -20.0135 -20.0135 5.4689 5.4689 6.7132 6.7132 9.9280 9.9280 10.4702 10.4702 11.2669 11.2669 11.4270 11.4270 11.6149 11.6149 11.7972 11.7972 12.4416 12.4416 12.6524 12.6524 12.6675 12.6675 13.3092 13.3092 13.8650 13.8650 14.2073 14.2073 k = 0.3113 0.3113-0.0000 ( 3195 PWs) bands (ev): -44.1832 -44.1832 -44.1289 -44.1289 -44.1268 -44.1268 -44.1121 -44.1121 -20.9571 -20.9571 -20.9151 -20.9151 -20.8876 -20.8876 -20.7700 -20.7700 -20.3612 -20.3612 -20.3098 -20.3098 -20.2678 -20.2678 -20.1824 -20.1824 -20.1474 -20.1474 -20.1383 -20.1383 -20.1019 -20.1019 -20.0107 -20.0107 5.4058 5.4058 6.7641 6.7641 9.8848 9.8848 10.4651 10.4651 11.2107 11.2107 11.3910 11.3910 11.5997 11.5997 11.7625 11.7625 12.4720 12.4720 12.6901 12.6901 12.7153 12.7153 13.3345 13.3345 13.8301 13.8301 14.2279 14.2279 k = 0.3019 0.3019-0.0000 ( 3199 PWs) bands (ev): -44.1856 -44.1856 -44.1280 -44.1280 -44.1260 -44.1260 -44.1114 -44.1114 -20.9599 -20.9599 -20.9159 -20.9159 -20.8894 -20.8894 -20.7634 -20.7634 -20.3616 -20.3616 -20.3106 -20.3106 -20.2698 -20.2698 -20.1848 -20.1848 -20.1485 -20.1485 -20.1326 -20.1326 -20.1035 -20.1035 -20.0079 -20.0079 5.3423 5.3423 6.8169 6.8169 9.8410 9.8410 10.4580 10.4580 11.1542 11.1542 11.3527 11.3527 11.5834 11.5834 11.7274 11.7274 12.5037 12.5037 12.7328 12.7328 12.7665 12.7665 13.3571 13.3571 13.7958 13.7958 14.2494 14.2494 k = 0.2925 0.2925-0.0000 ( 3201 PWs) bands (ev): -44.1880 -44.1880 -44.1270 -44.1270 -44.1251 -44.1251 -44.1108 -44.1108 -20.9626 -20.9626 -20.9168 -20.9168 -20.8912 -20.8912 -20.7569 -20.7569 -20.3619 -20.3619 -20.3115 -20.3115 -20.2719 -20.2719 -20.1869 -20.1869 -20.1497 -20.1497 -20.1274 -20.1274 -20.1043 -20.1043 -20.0051 -20.0051 5.2785 5.2785 6.8716 6.8716 9.7967 9.7967 10.4490 10.4490 11.0977 11.0977 11.3125 11.3125 11.5661 11.5661 11.6923 11.6923 12.5364 12.5364 12.7805 12.7805 12.8208 12.8208 13.3768 13.3768 13.7623 13.7623 14.2717 14.2717 k = 0.2830 0.2830-0.0000 ( 3205 PWs) bands (ev): -44.1904 -44.1904 -44.1261 -44.1261 -44.1243 -44.1243 -44.1103 -44.1103 -20.9655 -20.9655 -20.9177 -20.9177 -20.8931 -20.8931 -20.7504 -20.7504 -20.3620 -20.3620 -20.3125 -20.3125 -20.2742 -20.2742 -20.1890 -20.1890 -20.1509 -20.1509 -20.1238 -20.1238 -20.1033 -20.1033 -20.0024 -20.0024 5.2148 5.2148 6.9280 6.9280 9.7522 9.7522 10.4382 10.4382 11.0415 11.0415 11.2706 11.2706 11.5476 11.5476 11.6573 11.6573 12.5697 12.5697 12.8331 12.8331 12.8784 12.8784 13.3937 13.3937 13.7296 13.7296 14.2947 14.2947 k = 0.2736 0.2736-0.0000 ( 3207 PWs) bands (ev): -44.1928 -44.1928 -44.1251 -44.1251 -44.1234 -44.1234 -44.1098 -44.1098 -20.9684 -20.9684 -20.9185 -20.9185 -20.8951 -20.8951 -20.7439 -20.7439 -20.3619 -20.3619 -20.3136 -20.3136 -20.2766 -20.2766 -20.1909 -20.1909 -20.1519 -20.1519 -20.1223 -20.1223 -20.1000 -20.1000 -19.9998 -19.9998 5.1513 5.1513 6.9860 6.9860 9.7076 9.7076 10.4257 10.4257 10.9857 10.9857 11.2272 11.2272 11.5279 11.5279 11.6223 11.6223 12.6034 12.6034 12.8904 12.8904 12.9390 12.9390 13.4076 13.4076 13.6977 13.6977 14.3183 14.3183 k = 0.2642 0.2642-0.0000 ( 3207 PWs) bands (ev): -44.1951 -44.1951 -44.1242 -44.1242 -44.1225 -44.1225 -44.1093 -44.1093 -20.9715 -20.9715 -20.9195 -20.9195 -20.8971 -20.8971 -20.7375 -20.7375 -20.3619 -20.3619 -20.3148 -20.3148 -20.2791 -20.2791 -20.1927 -20.1927 -20.1528 -20.1528 -20.1225 -20.1225 -20.0947 -20.0947 -19.9972 -19.9972 5.0881 5.0881 7.0455 7.0455 9.6631 9.6631 10.4117 10.4117 10.9305 10.9305 11.1825 11.1825 11.5072 11.5072 11.5876 11.5876 12.6374 12.6374 12.9523 12.9523 13.0026 13.0026 13.4185 13.4185 13.6667 13.6667 14.3425 14.3425 k = 0.2547 0.2547-0.0000 ( 3195 PWs) bands (ev): -44.1974 -44.1974 -44.1232 -44.1232 -44.1216 -44.1216 -44.1089 -44.1089 -20.9745 -20.9745 -20.9204 -20.9204 -20.8990 -20.8990 -20.7311 -20.7311 -20.3617 -20.3617 -20.3160 -20.3160 -20.2817 -20.2817 -20.1942 -20.1942 -20.1534 -20.1534 -20.1235 -20.1235 -20.0884 -20.0884 -19.9947 -19.9947 5.0256 5.0256 7.1065 7.1065 9.6189 9.6189 10.3963 10.3963 10.8759 10.8759 11.1366 11.1366 11.4854 11.4854 11.5533 11.5533 12.6714 12.6714 13.0184 13.0184 13.0691 13.0691 13.4264 13.4264 13.6368 13.6368 14.3671 14.3671 k = 0.2453 0.2453-0.0000 ( 3195 PWs) bands (ev): -44.1997 -44.1997 -44.1222 -44.1222 -44.1207 -44.1207 -44.1085 -44.1085 -20.9777 -20.9777 -20.9214 -20.9214 -20.9011 -20.9011 -20.7249 -20.7249 -20.3616 -20.3616 -20.3173 -20.3173 -20.2844 -20.2844 -20.1955 -20.1955 -20.1540 -20.1540 -20.1249 -20.1249 -20.0817 -20.0817 -19.9922 -19.9922 4.9639 4.9639 7.1687 7.1687 9.5751 9.5751 10.3797 10.3797 10.8222 10.8222 11.0896 11.0896 11.4627 11.4627 11.5195 11.5195 12.7053 12.7053 13.0884 13.0884 13.1383 13.1383 13.4313 13.4313 13.6079 13.6079 14.3920 14.3920 k = 0.2358 0.2358-0.0000 ( 3187 PWs) bands (ev): -44.2019 -44.2019 -44.1212 -44.1212 -44.1199 -44.1199 -44.1082 -44.1082 -20.9810 -20.9810 -20.9224 -20.9224 -20.9033 -20.9033 -20.7187 -20.7187 -20.3614 -20.3614 -20.3185 -20.3185 -20.2871 -20.2871 -20.1967 -20.1967 -20.1543 -20.1543 -20.1264 -20.1264 -20.0746 -20.0746 -19.9898 -19.9898 4.9032 4.9032 7.2321 7.2321 9.5319 9.5319 10.3621 10.3621 10.7694 10.7694 11.0418 11.0418 11.4392 11.4392 11.4861 11.4861 12.7388 12.7388 13.1619 13.1619 13.2101 13.2101 13.4333 13.4333 13.5804 13.5804 14.4173 14.4173 k = 0.2264 0.2264-0.0000 ( 3187 PWs) bands (ev): -44.2041 -44.2041 -44.1203 -44.1203 -44.1190 -44.1190 -44.1079 -44.1079 -20.9843 -20.9843 -20.9234 -20.9234 -20.9055 -20.9055 -20.7128 -20.7128 -20.3613 -20.3613 -20.3199 -20.3199 -20.2900 -20.2900 -20.1977 -20.1977 -20.1545 -20.1545 -20.1280 -20.1280 -20.0675 -20.0675 -19.9875 -19.9875 4.8436 4.8436 7.2965 7.2965 9.4894 9.4894 10.3437 10.3437 10.7176 10.7176 10.9932 10.9932 11.4152 11.4152 11.4535 11.4535 12.7720 12.7720 13.2381 13.2381 13.2843 13.2843 13.4327 13.4327 13.5547 13.5547 14.4426 14.4426 k = 0.2170 0.2170-0.0000 ( 3185 PWs) bands (ev): -44.2062 -44.2062 -44.1193 -44.1193 -44.1181 -44.1181 -44.1076 -44.1076 -20.9876 -20.9876 -20.9245 -20.9245 -20.9076 -20.9076 -20.7070 -20.7070 -20.3613 -20.3613 -20.3212 -20.3212 -20.2928 -20.2928 -20.1985 -20.1985 -20.1545 -20.1545 -20.1294 -20.1294 -20.0604 -20.0604 -19.9853 -19.9853 4.7854 4.7854 7.3618 7.3618 9.4477 9.4477 10.3247 10.3247 10.6670 10.6670 10.9440 10.9440 11.3908 11.3908 11.4215 11.4215 12.8046 12.8046 13.3153 13.3153 13.3609 13.3609 13.4295 13.4295 13.5322 13.5322 14.4681 14.4681 k = 0.2075 0.2075-0.0000 ( 3185 PWs) bands (ev): -44.2083 -44.2083 -44.1183 -44.1183 -44.1172 -44.1172 -44.1074 -44.1074 -20.9910 -20.9910 -20.9255 -20.9255 -20.9098 -20.9098 -20.7014 -20.7014 -20.3612 -20.3612 -20.3224 -20.3224 -20.2957 -20.2957 -20.1992 -20.1992 -20.1544 -20.1544 -20.1308 -20.1308 -20.0533 -20.0533 -19.9832 -19.9832 4.7285 4.7285 7.4278 7.4278 9.4069 9.4069 10.3053 10.3053 10.6176 10.6176 10.8943 10.8943 11.3660 11.3660 11.3904 11.3904 12.8364 12.8364 13.3870 13.3870 13.4251 13.4251 13.4396 13.4396 13.5181 13.5181 14.4935 14.4935 k = 0.1981 0.1981-0.0000 ( 3189 PWs) bands (ev): -44.2103 -44.2103 -44.1174 -44.1174 -44.1164 -44.1164 -44.1072 -44.1072 -20.9944 -20.9944 -20.9266 -20.9266 -20.9120 -20.9120 -20.6960 -20.6960 -20.3613 -20.3613 -20.3237 -20.3237 -20.2986 -20.2986 -20.1997 -20.1997 -20.1542 -20.1542 -20.1321 -20.1321 -20.0463 -20.0463 -19.9812 -19.9812 4.6733 4.6733 7.4944 7.4944 9.3672 9.3672 10.2856 10.2856 10.5695 10.5695 10.8441 10.8441 11.3412 11.3412 11.3602 11.3602 12.8674 12.8674 13.4114 13.4114 13.4359 13.4359 13.5203 13.5203 13.5376 13.5376 14.5187 14.5187 k = 0.1887 0.1887-0.0000 ( 3179 PWs) bands (ev): -44.2123 -44.2123 -44.1165 -44.1165 -44.1155 -44.1155 -44.1070 -44.1070 -20.9977 -20.9977 -20.9277 -20.9277 -20.9142 -20.9142 -20.6907 -20.6907 -20.3614 -20.3614 -20.3248 -20.3248 -20.3015 -20.3015 -20.2000 -20.2000 -20.1538 -20.1538 -20.1333 -20.1333 -20.0393 -20.0393 -19.9792 -19.9792 4.6198 4.6198 7.5615 7.5615 9.3287 9.3287 10.2659 10.2659 10.5229 10.5229 10.7936 10.7936 11.3165 11.3165 11.3309 11.3309 12.8975 12.8975 13.4024 13.4024 13.4325 13.4325 13.6028 13.6028 13.6063 13.6063 14.5436 14.5436 k = 0.1792 0.1792-0.0000 ( 3179 PWs) bands (ev): -44.2142 -44.2142 -44.1156 -44.1156 -44.1147 -44.1147 -44.1068 -44.1068 -21.0011 -21.0011 -20.9288 -20.9288 -20.9164 -20.9164 -20.6857 -20.6857 -20.3616 -20.3616 -20.3259 -20.3259 -20.3043 -20.3043 -20.2002 -20.2002 -20.1533 -20.1533 -20.1344 -20.1344 -20.0325 -20.0325 -19.9773 -19.9773 4.5681 4.5681 7.6288 7.6288 9.2914 9.2914 10.2462 10.2462 10.4779 10.4779 10.7428 10.7428 11.2920 11.2920 11.3026 11.3026 12.9265 12.9265 13.3901 13.3901 13.4171 13.4171 13.6871 13.6871 13.6919 13.6919 14.5682 14.5682 k = 0.1698 0.1698-0.0000 ( 3175 PWs) bands (ev): -44.2160 -44.2160 -44.1147 -44.1147 -44.1139 -44.1139 -44.1067 -44.1067 -21.0044 -21.0044 -20.9299 -20.9299 -20.9186 -20.9186 -20.6808 -20.6808 -20.3619 -20.3619 -20.3270 -20.3270 -20.3071 -20.3071 -20.2002 -20.2002 -20.1528 -20.1528 -20.1353 -20.1353 -20.0259 -20.0259 -19.9754 -19.9754 4.5184 4.5184 7.6961 7.6961 9.2555 9.2555 10.2267 10.2267 10.4345 10.4345 10.6920 10.6920 11.2679 11.2679 11.2754 11.2754 12.9542 12.9542 13.3757 13.3757 13.3998 13.3998 13.7731 13.7731 13.7828 13.7828 14.5923 14.5923 k = 0.1604 0.1604-0.0000 ( 3171 PWs) bands (ev): -44.2177 -44.2177 -44.1139 -44.1139 -44.1132 -44.1132 -44.1066 -44.1066 -21.0076 -21.0076 -20.9309 -20.9309 -20.9207 -20.9207 -20.6762 -20.6762 -20.3622 -20.3622 -20.3279 -20.3279 -20.3098 -20.3098 -20.2001 -20.2001 -20.1521 -20.1521 -20.1362 -20.1362 -20.0194 -20.0194 -19.9737 -19.9737 4.4708 4.4708 7.7633 7.7633 9.2210 9.2210 10.2076 10.2076 10.3928 10.3928 10.6411 10.6411 11.2443 11.2443 11.2494 11.2494 12.9807 12.9807 13.3599 13.3599 13.3828 13.3828 13.8604 13.8604 13.8763 13.8763 14.6159 14.6159 k = 0.1509 0.1509-0.0000 ( 3171 PWs) bands (ev): -44.2194 -44.2194 -44.1131 -44.1131 -44.1124 -44.1124 -44.1065 -44.1065 -21.0108 -21.0108 -20.9320 -20.9320 -20.9228 -20.9228 -20.6719 -20.6719 -20.3626 -20.3626 -20.3288 -20.3288 -20.3124 -20.3124 -20.2000 -20.2000 -20.1513 -20.1513 -20.1370 -20.1370 -20.0132 -20.0132 -19.9721 -19.9721 4.4253 4.4253 7.8301 7.8301 9.1880 9.1880 10.1890 10.1890 10.3530 10.3530 10.5904 10.5904 11.2214 11.2214 11.2246 11.2246 13.0058 13.0058 13.3434 13.3434 13.3662 13.3662 13.9490 13.9490 13.9716 13.9716 14.6388 14.6388 k = 0.1415 0.1415-0.0000 ( 3173 PWs) bands (ev): -44.2210 -44.2210 -44.1123 -44.1123 -44.1117 -44.1117 -44.1064 -44.1064 -21.0139 -21.0139 -20.9330 -20.9330 -20.9249 -20.9249 -20.6678 -20.6678 -20.3632 -20.3632 -20.3296 -20.3296 -20.3150 -20.3150 -20.1998 -20.1998 -20.1505 -20.1505 -20.1377 -20.1377 -20.0072 -20.0072 -19.9705 -19.9705 4.3821 4.3821 7.8963 7.8963 9.1567 9.1567 10.1709 10.1709 10.3151 10.3151 10.5399 10.5399 11.1993 11.1993 11.2010 11.2010 13.0295 13.0295 13.3269 13.3269 13.3500 13.3500 14.0387 14.0387 14.0678 14.0678 14.6608 14.6608 k = 0.1321 0.1321-0.0000 ( 3169 PWs) bands (ev): -44.2224 -44.2224 -44.1116 -44.1116 -44.1111 -44.1111 -44.1063 -44.1063 -21.0169 -21.0169 -20.9340 -20.9340 -20.9269 -20.9269 -20.6639 -20.6639 -20.3637 -20.3637 -20.3303 -20.3303 -20.3174 -20.3174 -20.1994 -20.1994 -20.1496 -20.1496 -20.1383 -20.1383 -20.0015 -20.0015 -19.9691 -19.9691 4.3413 4.3413 7.9617 7.9617 9.1270 9.1270 10.1536 10.1536 10.2792 10.2792 10.4899 10.4899 11.1781 11.1781 11.1787 11.1787 13.0516 13.0516 13.3107 13.3107 13.3342 13.3342 14.1293 14.1293 14.1646 14.1646 14.6820 14.6820 k = 0.1226 0.1226-0.0000 ( 3179 PWs) bands (ev): -44.2239 -44.2239 -44.1109 -44.1109 -44.1104 -44.1104 -44.1063 -44.1063 -21.0198 -21.0198 -20.9350 -20.9350 -20.9289 -20.9289 -20.6603 -20.6603 -20.3643 -20.3643 -20.3310 -20.3310 -20.3198 -20.3198 -20.1991 -20.1991 -20.1488 -20.1488 -20.1389 -20.1389 -19.9961 -19.9961 -19.9678 -19.9678 4.3030 4.3030 8.0260 8.0260 9.0991 9.0991 10.1370 10.1370 10.2454 10.2454 10.4405 10.4405 11.1578 11.1578 11.1580 11.1580 13.0722 13.0722 13.2952 13.2952 13.3189 13.3189 14.2206 14.2206 14.2613 14.2613 14.7023 14.7023 k = 0.1132 0.1132-0.0000 ( 3165 PWs) bands (ev): -44.2252 -44.2252 -44.1102 -44.1102 -44.1098 -44.1098 -44.1062 -44.1062 -21.0225 -21.0225 -20.9359 -20.9359 -20.9306 -20.9306 -20.6570 -20.6570 -20.3649 -20.3649 -20.3315 -20.3315 -20.3218 -20.3218 -20.1987 -20.1987 -20.1479 -20.1479 -20.1392 -20.1392 -19.9909 -19.9909 -19.9665 -19.9665 4.2672 4.2672 8.0887 8.0887 9.0730 9.0730 10.1214 10.1214 10.2138 10.2138 10.3919 10.3919 11.1382 11.1382 11.1389 11.1389 13.0911 13.0911 13.2805 13.2805 13.3040 13.3040 14.3124 14.3124 14.3577 14.3577 14.7214 14.7214 k = 0.1038 0.1038-0.0000 ( 3171 PWs) bands (ev): -44.2264 -44.2264 -44.1096 -44.1096 -44.1093 -44.1093 -44.1062 -44.1062 -21.0251 -21.0251 -20.9368 -20.9368 -20.9323 -20.9323 -20.6538 -20.6538 -20.3656 -20.3656 -20.3321 -20.3321 -20.3239 -20.3239 -20.1983 -20.1983 -20.1470 -20.1470 -20.1396 -20.1396 -19.9861 -19.9861 -19.9654 -19.9654 4.2339 4.2339 8.1497 8.1497 9.0487 9.0487 10.1067 10.1067 10.1844 10.1844 10.3445 10.3445 11.1201 11.1201 11.1211 11.1211 13.1085 13.1085 13.2667 13.2667 13.2898 13.2898 14.4043 14.4043 14.4531 14.4531 14.7394 14.7394 k = 0.0943 0.0943-0.0000 ( 3173 PWs) bands (ev): -44.2275 -44.2275 -44.1090 -44.1090 -44.1088 -44.1088 -44.1062 -44.1062 -21.0275 -21.0275 -20.9377 -20.9377 -20.9339 -20.9339 -20.6510 -20.6510 -20.3663 -20.3663 -20.3326 -20.3326 -20.3257 -20.3257 -20.1979 -20.1979 -20.1462 -20.1462 -20.1399 -20.1399 -19.9816 -19.9816 -19.9644 -19.9644 4.2034 4.2034 8.2084 8.2084 9.0264 9.0264 10.0931 10.0931 10.1574 10.1574 10.2985 10.2985 11.1034 11.1034 11.1045 11.1045 13.1241 13.1241 13.2539 13.2539 13.2765 13.2765 14.4961 14.4961 14.5471 14.5471 14.7561 14.7561 k = 0.0849 0.0849-0.0000 ( 3179 PWs) bands (ev): -44.2285 -44.2285 -44.1085 -44.1085 -44.1083 -44.1083 -44.1062 -44.1062 -21.0297 -21.0297 -20.9384 -20.9384 -20.9353 -20.9353 -20.6486 -20.6486 -20.3669 -20.3669 -20.3330 -20.3330 -20.3274 -20.3274 -20.1975 -20.1975 -20.1453 -20.1453 -20.1402 -20.1402 -19.9776 -19.9776 -19.9636 -19.9636 4.1755 4.1755 8.2644 8.2644 9.0061 9.0061 10.0806 10.0806 10.1327 10.1327 10.2542 10.2542 11.0883 11.0883 11.0894 11.0894 13.1381 13.1381 13.2422 13.2422 13.2641 13.2641 14.5873 14.5873 14.6389 14.6389 14.7715 14.7715 k = 0.0755 0.0755-0.0000 ( 3177 PWs) bands (ev): -44.2295 -44.2295 -44.1080 -44.1080 -44.1078 -44.1078 -44.1062 -44.1062 -21.0318 -21.0318 -20.9392 -20.9392 -20.9367 -20.9367 -20.6462 -20.6462 -20.3675 -20.3675 -20.3334 -20.3334 -20.3289 -20.3289 -20.1971 -20.1971 -20.1445 -20.1445 -20.1404 -20.1404 -19.9739 -19.9739 -19.9627 -19.9627 4.1505 4.1505 8.3172 8.3172 8.9877 8.9877 10.0693 10.0693 10.1104 10.1104 10.2123 10.2123 11.0746 11.0746 11.0756 11.0756 13.1505 13.1505 13.2316 13.2316 13.2529 13.2529 14.6774 14.6774 14.7279 14.7279 14.7855 14.7855 k = 0.0660 0.0660-0.0000 ( 3181 PWs) bands (ev): -44.2303 -44.2303 -44.1076 -44.1076 -44.1075 -44.1075 -44.1062 -44.1062 -21.0336 -21.0336 -20.9398 -20.9398 -20.9379 -20.9379 -20.6442 -20.6442 -20.3680 -20.3680 -20.3338 -20.3338 -20.3303 -20.3303 -20.1968 -20.1968 -20.1438 -20.1438 -20.1406 -20.1406 -19.9705 -19.9705 -19.9619 -19.9619 4.1283 4.1283 8.3662 8.3662 8.9715 8.9715 10.0591 10.0591 10.0907 10.0907 10.1730 10.1730 11.0625 11.0625 11.0634 11.0634 13.1611 13.1611 13.2220 13.2220 13.2430 13.2430 14.7657 14.7657 14.7980 14.7980 14.8132 14.8132 k = 0.0566 0.0566-0.0000 ( 3183 PWs) bands (ev): -44.2310 -44.2310 -44.1072 -44.1072 -44.1071 -44.1071 -44.1062 -44.1062 -21.0352 -21.0352 -20.9404 -20.9404 -20.9390 -20.9390 -20.6424 -20.6424 -20.3685 -20.3685 -20.3341 -20.3341 -20.3315 -20.3315 -20.1964 -20.1964 -20.1431 -20.1431 -20.1408 -20.1408 -19.9676 -19.9676 -19.9613 -19.9613 4.1090 4.1090 8.4108 8.4108 8.9573 8.9573 10.0503 10.0503 10.0735 10.0735 10.1370 10.1370 11.0520 11.0520 11.0527 11.0527 13.1700 13.1700 13.2136 13.2136 13.2345 13.2345 14.8090 14.8090 14.8396 14.8396 14.8510 14.8510 k = 0.0472 0.0472-0.0000 ( 3175 PWs) bands (ev): -44.2316 -44.2316 -44.1069 -44.1069 -44.1068 -44.1068 -44.1062 -44.1062 -21.0366 -21.0366 -20.9409 -20.9409 -20.9399 -20.9399 -20.6408 -20.6408 -20.3689 -20.3689 -20.3343 -20.3343 -20.3325 -20.3325 -20.1962 -20.1962 -20.1425 -20.1425 -20.1409 -20.1409 -19.9650 -19.9650 -19.9606 -19.9606 4.0926 4.0926 8.4503 8.4503 8.9453 8.9453 10.0427 10.0427 10.0588 10.0588 10.1050 10.1050 11.0430 11.0430 11.0436 11.0436 13.1772 13.1772 13.2064 13.2064 13.2276 13.2276 14.8184 14.8184 14.8396 14.8396 14.9321 14.9321 k = 0.0377 0.0377-0.0000 ( 3179 PWs) bands (ev): -44.2321 -44.2321 -44.1067 -44.1067 -44.1066 -44.1066 -44.1062 -44.1062 -21.0377 -21.0377 -20.9413 -20.9413 -20.9407 -20.9407 -20.6396 -20.6396 -20.3693 -20.3693 -20.3345 -20.3345 -20.3334 -20.3334 -20.1959 -20.1959 -20.1420 -20.1420 -20.1410 -20.1410 -19.9630 -19.9630 -19.9602 -19.9602 4.0791 4.0791 8.4839 8.4839 8.9354 8.9354 10.0365 10.0365 10.0468 10.0468 10.0775 10.0775 11.0357 11.0357 11.0360 11.0360 13.1826 13.1826 13.2004 13.2004 13.2223 13.2223 14.8261 14.8261 14.8397 14.8397 15.0069 15.0069 k = 0.0283 0.0283-0.0000 ( 3175 PWs) bands (ev): -44.2325 -44.2325 -44.1065 -44.1065 -44.1064 -44.1064 -44.1062 -44.1062 -21.0386 -21.0386 -20.9416 -20.9416 -20.9413 -20.9413 -20.6386 -20.6386 -20.3696 -20.3696 -20.3347 -20.3347 -20.3340 -20.3340 -20.1957 -20.1957 -20.1416 -20.1416 -20.1410 -20.1410 -19.9613 -19.9613 -19.9598 -19.9598 4.0686 4.0686 8.5110 8.5110 8.9277 8.9277 10.0316 10.0316 10.0374 10.0374 10.0552 10.0552 11.0300 11.0300 11.0302 11.0302 13.1862 13.1862 13.1957 13.1957 13.2187 13.2187 14.8322 14.8322 14.8398 14.8398 15.0723 15.0723 k = 0.0189 0.0189-0.0000 ( 3179 PWs) bands (ev): -44.2327 -44.2327 -44.1063 -44.1063 -44.1063 -44.1063 -44.1062 -44.1062 -21.0392 -21.0392 -20.9418 -20.9418 -20.9417 -20.9417 -20.6380 -20.6380 -20.3698 -20.3698 -20.3348 -20.3348 -20.3345 -20.3345 -20.1956 -20.1956 -20.1413 -20.1413 -20.1411 -20.1411 -19.9602 -19.9602 -19.9597 -19.9597 4.0611 4.0611 8.5309 8.5309 8.9221 8.9221 10.0281 10.0281 10.0307 10.0307 10.0388 10.0388 11.0259 11.0259 11.0260 11.0260 13.1883 13.1883 13.1922 13.1922 13.2167 13.2167 14.8365 14.8365 14.8399 14.8399 15.1246 15.1246 k = 0.0094 0.0094-0.0000 ( 3191 PWs) bands (ev): -44.2329 -44.2329 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -21.0396 -21.0396 -20.9420 -20.9420 -20.9419 -20.9419 -20.6377 -20.6377 -20.3699 -20.3699 -20.3348 -20.3348 -20.3348 -20.3348 -20.1955 -20.1955 -20.1412 -20.1412 -20.1411 -20.1411 -19.9598 -19.9598 -19.9596 -19.9596 4.0565 4.0565 8.5430 8.5430 8.9188 8.9188 10.0259 10.0259 10.0267 10.0267 10.0288 10.0288 11.0234 11.0234 11.0234 11.0234 13.1892 13.1892 13.1902 13.1902 13.2157 13.2157 14.8391 14.8391 14.8400 14.8400 15.1588 15.1588 k = 0.0000 0.0000 0.0000 ( 3191 PWs) bands (ev): -44.2330 -44.2330 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -21.0397 -21.0397 -20.9420 -20.9420 -20.9420 -20.9420 -20.6376 -20.6376 -20.3699 -20.3699 -20.3349 -20.3349 -20.3349 -20.3349 -20.1955 -20.1955 -20.1411 -20.1411 -20.1411 -20.1411 -19.9596 -19.9596 -19.9596 -19.9596 4.0550 4.0550 8.5471 8.5471 8.9177 8.9177 10.0251 10.0251 10.0251 10.0251 10.0258 10.0258 11.0226 11.0226 11.0226 11.0226 13.1895 13.1895 13.1895 13.1895 13.2155 13.2155 14.8400 14.8400 14.8400 14.8400 15.1708 15.1708 k = 0.0000 0.0000 0.0000 ( 3191 PWs) bands (ev): -44.2330 -44.2330 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -21.0397 -21.0397 -20.9420 -20.9420 -20.9420 -20.9420 -20.6376 -20.6376 -20.3699 -20.3699 -20.3349 -20.3349 -20.3349 -20.3349 -20.1955 -20.1955 -20.1411 -20.1411 -20.1411 -20.1411 -19.9596 -19.9596 -19.9596 -19.9596 4.0550 4.0550 8.5471 8.5471 8.9177 8.9177 10.0251 10.0251 10.0251 10.0251 10.0258 10.0258 11.0226 11.0226 11.0226 11.0226 13.1895 13.1895 13.1895 13.1895 13.2155 13.2155 14.8400 14.8400 14.8400 14.8400 15.1708 15.1708 k = 0.0077 0.0077 0.0077 ( 3191 PWs) bands (ev): -44.2329 -44.2329 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -44.1062 -21.0396 -21.0396 -20.9420 -20.9420 -20.9420 -20.9420 -20.6377 -20.6377 -20.3699 -20.3699 -20.3348 -20.3348 -20.3348 -20.3348 -20.1955 -20.1955 -20.1411 -20.1411 -20.1411 -20.1411 -19.9598 -19.9598 -19.9596 -19.9596 4.0565 4.0565 8.5430 8.5430 8.9188 8.9188 10.0260 10.0260 10.0264 10.0264 10.0290 10.0290 11.0234 11.0234 11.0234 11.0234 13.1893 13.1893 13.1901 13.1901 13.2157 13.2157 14.8395 14.8395 14.8396 14.8396 15.1601 15.1601 k = 0.0154 0.0154 0.0154 ( 3185 PWs) bands (ev): -44.2328 -44.2328 -44.1063 -44.1063 -44.1063 -44.1063 -44.1063 -44.1063 -21.0392 -21.0392 -20.9418 -20.9418 -20.9418 -20.9418 -20.6381 -20.6381 -20.3698 -20.3698 -20.3347 -20.3347 -20.3345 -20.3345 -20.1956 -20.1956 -20.1413 -20.1413 -20.1411 -20.1411 -19.9603 -19.9603 -19.9597 -19.9597 4.0610 4.0610 8.5309 8.5309 8.9221 8.9221 10.0287 10.0287 10.0292 10.0292 10.0396 10.0396 11.0259 11.0259 11.0259 11.0259 13.1885 13.1885 13.1921 13.1921 13.2166 13.2166 14.8382 14.8382 14.8383 14.8383 15.1293 15.1293 k = 0.0231 0.0231 0.0231 ( 3176 PWs) bands (ev): -44.2325 -44.2325 -44.1064 -44.1064 -44.1063 -44.1063 -44.1063 -44.1063 -21.0386 -21.0386 -20.9415 -20.9415 -20.9414 -20.9414 -20.6386 -20.6386 -20.3696 -20.3696 -20.3346 -20.3346 -20.3341 -20.3341 -20.1957 -20.1957 -20.1415 -20.1415 -20.1411 -20.1411 -19.9615 -19.9615 -19.9597 -19.9597 4.0685 4.0685 8.5111 8.5111 8.9276 8.9276 10.0333 10.0333 10.0337 10.0337 10.0570 10.0570 11.0300 11.0300 11.0300 11.0300 13.1866 13.1866 13.1954 13.1954 13.2186 13.2186 14.8359 14.8359 14.8361 14.8361 15.0814 15.0816 k = 0.0308 0.0308 0.0308 ( 3173 PWs) bands (ev): -44.2321 -44.2321 -44.1065 -44.1065 -44.1065 -44.1065 -44.1065 -44.1065 -21.0377 -21.0377 -20.9410 -20.9410 -20.9410 -20.9410 -20.6395 -20.6395 -20.3693 -20.3693 -20.3344 -20.3344 -20.3335 -20.3335 -20.1959 -20.1959 -20.1418 -20.1418 -20.1412 -20.1412 -19.9631 -19.9631 -19.9600 -19.9600 4.0790 4.0790 8.4842 8.4842 8.9353 8.9353 10.0397 10.0397 10.0401 10.0401 10.0806 10.0806 11.0358 11.0358 11.0358 11.0358 13.1834 13.1834 13.1999 13.1999 13.2219 13.2219 14.8327 14.8327 14.8332 14.8332 15.0204 15.0207 k = 0.0385 0.0385 0.0385 ( 3173 PWs) bands (ev): -44.2316 -44.2316 -44.1067 -44.1067 -44.1066 -44.1066 -44.1066 -44.1066 -21.0366 -21.0366 -20.9404 -20.9404 -20.9404 -20.9404 -20.6407 -20.6407 -20.3689 -20.3689 -20.3342 -20.3342 -20.3327 -20.3327 -20.1961 -20.1961 -20.1422 -20.1422 -20.1412 -20.1412 -19.9652 -19.9652 -19.9603 -19.9603 4.0924 4.0924 8.4509 8.4509 8.9452 8.9452 10.0478 10.0478 10.0483 10.0483 10.1097 10.1097 11.0432 11.0432 11.0432 11.0432 13.1785 13.1785 13.2057 13.2057 13.2269 13.2269 14.8288 14.8288 14.8294 14.8294 14.9497 14.9497 k = 0.0462 0.0462 0.0462 ( 3173 PWs) bands (ev): -44.2310 -44.2310 -44.1069 -44.1069 -44.1068 -44.1068 -44.1068 -44.1068 -21.0352 -21.0352 -20.9398 -20.9398 -20.9397 -20.9397 -20.6422 -20.6422 -20.3685 -20.3685 -20.3339 -20.3339 -20.3317 -20.3317 -20.1964 -20.1964 -20.1427 -20.1427 -20.1412 -20.1412 -19.9678 -19.9678 -19.9607 -19.9607 4.1088 4.1088 8.4119 8.4119 8.9572 8.9572 10.0578 10.0578 10.0583 10.0583 10.1437 10.1437 11.0522 11.0522 11.0522 11.0522 13.1719 13.1719 13.2127 13.2127 13.2333 13.2333 14.8240 14.8240 14.8250 14.8250 14.8720 14.8720 k = 0.0538 0.0538 0.0538 ( 3176 PWs) bands (ev): -44.2303 -44.2303 -44.1072 -44.1072 -44.1070 -44.1070 -44.1070 -44.1070 -21.0336 -21.0336 -20.9389 -20.9389 -20.9388 -20.9388 -20.6441 -20.6441 -20.3680 -20.3680 -20.3335 -20.3335 -20.3306 -20.3306 -20.1967 -20.1967 -20.1432 -20.1432 -20.1412 -20.1412 -19.9709 -19.9709 -19.9614 -19.9614 4.1280 4.1280 8.3680 8.3680 8.9713 8.9713 10.0695 10.0695 10.0700 10.0700 10.1818 10.1818 11.0627 11.0627 11.0627 11.0627 13.1637 13.1637 13.2209 13.2209 13.2412 13.2412 14.7891 14.7891 14.7897 14.7897 14.8185 14.8185 k = 0.0615 0.0615 0.0615 ( 3176 PWs) bands (ev): -44.2295 -44.2295 -44.1075 -44.1075 -44.1073 -44.1073 -44.1073 -44.1073 -21.0318 -21.0318 -20.9381 -20.9381 -20.9379 -20.9379 -20.6461 -20.6461 -20.3674 -20.3674 -20.3332 -20.3332 -20.3293 -20.3293 -20.1970 -20.1970 -20.1439 -20.1439 -20.1411 -20.1411 -19.9744 -19.9744 -19.9620 -19.9620 4.1501 4.1501 8.3198 8.3198 8.9875 8.9875 10.0830 10.0830 10.0834 10.0834 10.2234 10.2234 11.0748 11.0748 11.0748 11.0748 13.1538 13.1538 13.2301 13.2301 13.2503 13.2503 14.7025 14.7025 14.7031 14.7031 14.8124 14.8124 k = 0.0692 0.0692 0.0692 ( 3176 PWs) bands (ev): -44.2285 -44.2285 -44.1078 -44.1078 -44.1076 -44.1076 -44.1076 -44.1076 -21.0298 -21.0298 -20.9371 -20.9371 -20.9369 -20.9369 -20.6485 -20.6485 -20.3668 -20.3668 -20.3328 -20.3328 -20.3279 -20.3279 -20.1973 -20.1973 -20.1445 -20.1445 -20.1410 -20.1410 -19.9782 -19.9782 -19.9627 -19.9627 4.1750 4.1750 8.2681 8.2681 9.0058 9.0058 10.0981 10.0981 10.0986 10.0986 10.2680 10.2680 11.0883 11.0883 11.0883 11.0883 13.1424 13.1424 13.2404 13.2404 13.2607 13.2607 14.6133 14.6133 14.6140 14.6140 14.8057 14.8057 k = 0.0769 0.0769 0.0769 ( 3182 PWs) bands (ev): -44.2275 -44.2275 -44.1082 -44.1082 -44.1079 -44.1079 -44.1079 -44.1079 -21.0277 -21.0277 -20.9361 -20.9361 -20.9358 -20.9358 -20.6510 -20.6510 -20.3662 -20.3662 -20.3323 -20.3323 -20.3264 -20.3264 -20.1976 -20.1976 -20.1452 -20.1452 -20.1409 -20.1409 -19.9825 -19.9825 -19.9634 -19.9634 4.2026 4.2026 8.2134 8.2134 9.0261 9.0261 10.1149 10.1149 10.1154 10.1154 10.3149 10.3149 11.1032 11.1032 11.1032 11.1032 13.1294 13.1294 13.2516 13.2516 13.2721 13.2721 14.5223 14.5223 14.5230 14.5230 14.7985 14.7985 k = 0.0846 0.0846 0.0846 ( 3167 PWs) bands (ev): -44.2264 -44.2264 -44.1086 -44.1086 -44.1082 -44.1082 -44.1082 -44.1082 -21.0252 -21.0252 -20.9348 -20.9348 -20.9345 -20.9345 -20.6539 -20.6539 -20.3654 -20.3654 -20.3318 -20.3318 -20.3246 -20.3246 -20.1978 -20.1978 -20.1458 -20.1458 -20.1407 -20.1407 -19.9871 -19.9871 -19.9642 -19.9642 4.2329 4.2329 8.1563 8.1563 9.0484 9.0484 10.1334 10.1334 10.1339 10.1339 10.3637 10.3637 11.1195 11.1195 11.1195 11.1195 13.1148 13.1148 13.2636 13.2636 13.2844 13.2844 14.4301 14.4301 14.4309 14.4309 14.7911 14.7911 k = 0.0923 0.0923 0.0923 ( 3161 PWs) bands (ev): -44.2252 -44.2252 -44.1090 -44.1090 -44.1086 -44.1086 -44.1086 -44.1086 -21.0227 -21.0227 -20.9336 -20.9336 -20.9332 -20.9332 -20.6570 -20.6570 -20.3646 -20.3646 -20.3312 -20.3312 -20.3227 -20.3227 -20.1980 -20.1980 -20.1465 -20.1465 -20.1404 -20.1404 -19.9921 -19.9921 -19.9651 -19.9651 4.2658 4.2658 8.0972 8.0972 9.0726 9.0726 10.1534 10.1534 10.1540 10.1540 10.4142 10.4142 11.1370 11.1370 11.1371 11.1371 13.0986 13.0986 13.2763 13.2763 13.2976 13.2976 14.3374 14.3374 14.3382 14.3382 14.7834 14.7834 k = 0.1000 0.1000 0.1000 ( 3167 PWs) bands (ev): -44.2239 -44.2239 -44.1095 -44.1095 -44.1090 -44.1090 -44.1090 -44.1090 -21.0200 -21.0200 -20.9323 -20.9323 -20.9319 -20.9319 -20.6604 -20.6604 -20.3639 -20.3639 -20.3307 -20.3307 -20.3208 -20.3208 -20.1982 -20.1982 -20.1473 -20.1473 -20.1401 -20.1401 -19.9975 -19.9975 -19.9661 -19.9661 4.3012 4.3012 8.0366 8.0366 9.0987 9.0987 10.1750 10.1750 10.1755 10.1755 10.4659 10.4659 11.1558 11.1558 11.1558 11.1558 13.0809 13.0809 13.2897 13.2897 13.3114 13.3114 14.2446 14.2446 14.2454 14.2454 14.7756 14.7756 k = 0.1077 0.1077 0.1077 ( 3161 PWs) bands (ev): -44.2225 -44.2225 -44.1100 -44.1100 -44.1095 -44.1095 -44.1095 -44.1095 -21.0172 -21.0172 -20.9310 -20.9310 -20.9305 -20.9305 -20.6640 -20.6640 -20.3631 -20.3631 -20.3302 -20.3302 -20.3186 -20.3186 -20.1983 -20.1983 -20.1480 -20.1480 -20.1396 -20.1396 -20.0031 -20.0031 -19.9671 -19.9671 4.3390 4.3390 7.9749 7.9749 9.1266 9.1266 10.1981 10.1981 10.1986 10.1986 10.5186 10.5186 11.1757 11.1757 11.1757 11.1757 13.0616 13.0616 13.3035 13.3035 13.3258 13.3258 14.1520 14.1520 14.1528 14.1528 14.7679 14.7679 k = 0.1154 0.1154 0.1154 ( 3173 PWs) bands (ev): -44.2210 -44.2210 -44.1105 -44.1105 -44.1099 -44.1099 -44.1099 -44.1099 -21.0144 -21.0144 -20.9297 -20.9297 -20.9291 -20.9291 -20.6679 -20.6679 -20.3623 -20.3623 -20.3296 -20.3296 -20.3165 -20.3165 -20.1984 -20.1984 -20.1487 -20.1487 -20.1391 -20.1391 -20.0091 -20.0091 -19.9682 -19.9682 4.3791 4.3791 7.9123 7.9123 9.1562 9.1562 10.2225 10.2225 10.2231 10.2231 10.5721 10.5721 11.1966 11.1966 11.1966 11.1966 13.0408 13.0408 13.3176 13.3176 13.3405 13.3405 14.0601 14.0601 14.0609 14.0609 14.7604 14.7604 k = 0.1231 0.1231 0.1231 ( 3179 PWs) bands (ev): -44.2195 -44.2195 -44.1111 -44.1111 -44.1104 -44.1104 -44.1104 -44.1104 -21.0115 -21.0115 -20.9283 -20.9283 -20.9277 -20.9277 -20.6721 -20.6721 -20.3616 -20.3616 -20.3291 -20.3291 -20.3143 -20.3143 -20.1983 -20.1983 -20.1494 -20.1494 -20.1384 -20.1384 -20.0153 -20.0153 -19.9693 -19.9693 4.4213 4.4213 7.8493 7.8493 9.1876 9.1876 10.2483 10.2483 10.2488 10.2488 10.6262 10.6262 11.2184 11.2184 11.2184 11.2184 13.0187 13.0187 13.3319 13.3319 13.3554 13.3554 13.9692 13.9692 13.9701 13.9701 14.7534 14.7534 k = 0.1308 0.1308 0.1308 ( 3173 PWs) bands (ev): -44.2178 -44.2178 -44.1117 -44.1117 -44.1109 -44.1109 -44.1109 -44.1109 -21.0085 -21.0085 -20.9269 -20.9269 -20.9262 -20.9262 -20.6765 -20.6765 -20.3608 -20.3608 -20.3285 -20.3285 -20.3118 -20.3118 -20.1981 -20.1981 -20.1500 -20.1500 -20.1376 -20.1376 -20.0218 -20.0218 -19.9705 -19.9705 4.4657 4.4657 7.7860 7.7860 9.2205 9.2205 10.2753 10.2753 10.2759 10.2759 10.6808 10.6808 11.2410 11.2410 11.2410 11.2410 12.9951 12.9951 13.3461 13.3461 13.3703 13.3703 13.8797 13.8797 13.8806 13.8806 14.7470 14.7471 k = 0.1385 0.1385 0.1385 ( 3173 PWs) bands (ev): -44.2161 -44.2161 -44.1123 -44.1123 -44.1115 -44.1115 -44.1115 -44.1115 -21.0054 -21.0054 -20.9255 -20.9255 -20.9248 -20.9248 -20.6811 -20.6811 -20.3600 -20.3600 -20.3279 -20.3279 -20.3094 -20.3094 -20.1978 -20.1978 -20.1505 -20.1505 -20.1367 -20.1367 -20.0283 -20.0283 -19.9717 -19.9717 4.5119 4.5119 7.7229 7.7229 9.2550 9.2550 10.3034 10.3034 10.3040 10.3040 10.7357 10.7357 11.2642 11.2642 11.2643 11.2643 12.9703 12.9703 13.3599 13.3599 13.3850 13.3850 13.7921 13.7921 13.7929 13.7929 14.7414 14.7414 k = 0.1462 0.1462 0.1462 ( 3173 PWs) bands (ev): -44.2143 -44.2143 -44.1129 -44.1129 -44.1120 -44.1120 -44.1120 -44.1120 -21.0024 -21.0024 -20.9240 -20.9240 -20.9233 -20.9233 -20.6860 -20.6860 -20.3593 -20.3593 -20.3272 -20.3272 -20.3069 -20.3069 -20.1973 -20.1973 -20.1509 -20.1509 -20.1356 -20.1356 -20.0352 -20.0352 -19.9730 -19.9730 4.5599 4.5599 7.6601 7.6601 9.2909 9.2909 10.3325 10.3325 10.3331 10.3331 10.7910 10.7910 11.2879 11.2879 11.2880 11.2880 12.9443 12.9443 13.3732 13.3732 13.3990 13.3990 13.7067 13.7067 13.7075 13.7075 14.7369 14.7370 k = 0.1538 0.1538 0.1538 ( 3170 PWs) bands (ev): -44.2124 -44.2124 -44.1136 -44.1136 -44.1126 -44.1126 -44.1126 -44.1126 -20.9994 -20.9994 -20.9226 -20.9226 -20.9219 -20.9219 -20.6911 -20.6911 -20.3586 -20.3586 -20.3266 -20.3266 -20.3043 -20.3043 -20.1966 -20.1966 -20.1512 -20.1512 -20.1344 -20.1344 -20.0423 -20.0423 -19.9742 -19.9742 4.6095 4.6095 7.5980 7.5980 9.3281 9.3281 10.3625 10.3625 10.3632 10.3632 10.8464 10.8464 11.3120 11.3120 11.3121 11.3121 12.9172 12.9172 13.3854 13.3854 13.4119 13.4119 13.6242 13.6242 13.6249 13.6249 14.7336 14.7336 k = 0.1615 0.1615 0.1615 ( 3170 PWs) bands (ev): -44.2105 -44.2105 -44.1143 -44.1143 -44.1132 -44.1132 -44.1132 -44.1132 -20.9965 -20.9965 -20.9212 -20.9212 -20.9205 -20.9205 -20.6965 -20.6965 -20.3579 -20.3579 -20.3259 -20.3259 -20.3018 -20.3018 -20.1957 -20.1957 -20.1513 -20.1513 -20.1329 -20.1329 -20.0494 -20.0494 -19.9755 -19.9755 4.6604 4.6604 7.5367 7.5367 9.3665 9.3665 10.3933 10.3933 10.3939 10.3939 10.9020 10.9020 11.3363 11.3363 11.3364 11.3364 12.8893 12.8893 13.3955 13.3955 13.4221 13.4221 13.5464 13.5464 13.5465 13.5465 14.7318 14.7319 k = 0.1692 0.1692 0.1692 ( 3164 PWs) bands (ev): -44.2085 -44.2085 -44.1150 -44.1150 -44.1138 -44.1138 -44.1138 -44.1138 -20.9936 -20.9936 -20.9198 -20.9198 -20.9191 -20.9191 -20.7021 -20.7021 -20.3572 -20.3572 -20.3252 -20.3252 -20.2991 -20.2991 -20.1946 -20.1946 -20.1513 -20.1513 -20.1313 -20.1313 -20.0567 -20.0567 -19.9769 -19.9769 4.7124 4.7124 7.4766 7.4766 9.4061 9.4061 10.4245 10.4245 10.4252 10.4252 10.9578 10.9578 11.3606 11.3606 11.3607 11.3607 12.8606 12.8606 13.3987 13.3987 13.4207 13.4207 13.4769 13.4769 13.4825 13.4825 14.7317 14.7317 k = 0.1769 0.1769 0.1769 ( 3170 PWs) bands (ev): -44.2065 -44.2065 -44.1157 -44.1157 -44.1145 -44.1145 -44.1145 -44.1145 -20.9909 -20.9909 -20.9186 -20.9186 -20.9179 -20.9179 -20.7079 -20.7079 -20.3566 -20.3566 -20.3245 -20.3245 -20.2965 -20.2965 -20.1934 -20.1934 -20.1511 -20.1511 -20.1296 -20.1296 -20.0640 -20.0640 -19.9784 -19.9784 4.7654 4.7654 7.4180 7.4180 9.4466 9.4466 10.4561 10.4561 10.4568 10.4568 11.0135 11.0135 11.3848 11.3848 11.3849 11.3849 12.8313 12.8313 13.3700 13.3700 13.3757 13.3757 13.4416 13.4416 13.4644 13.4644 14.7334 14.7334 k = 0.1846 0.1846 0.1846 ( 3176 PWs) bands (ev): -44.2044 -44.2044 -44.1165 -44.1165 -44.1151 -44.1151 -44.1151 -44.1151 -20.9883 -20.9883 -20.9173 -20.9173 -20.9167 -20.9167 -20.7140 -20.7140 -20.3560 -20.3560 -20.3238 -20.3238 -20.2939 -20.2939 -20.1919 -20.1919 -20.1507 -20.1507 -20.1278 -20.1278 -20.0713 -20.0713 -19.9800 -19.9800 4.8188 4.8188 7.3611 7.3611 9.4879 9.4879 10.4877 10.4877 10.4884 10.4884 11.0694 11.0694 11.4087 11.4087 11.4088 11.4088 12.8017 12.8017 13.3094 13.3094 13.3107 13.3107 13.4409 13.4409 13.4688 13.4688 14.7369 14.7369 k = 0.1923 0.1923 0.1923 ( 3182 PWs) bands (ev): -44.2023 -44.2023 -44.1172 -44.1172 -44.1158 -44.1158 -44.1158 -44.1158 -20.9859 -20.9859 -20.9160 -20.9160 -20.9156 -20.9156 -20.7202 -20.7202 -20.3554 -20.3554 -20.3231 -20.3231 -20.2914 -20.2914 -20.1903 -20.1903 -20.1502 -20.1502 -20.1259 -20.1259 -20.0786 -20.0786 -19.9815 -19.9815 4.8726 4.8726 7.3062 7.3062 9.5299 9.5299 10.5191 10.5191 10.5198 10.5198 11.1252 11.1252 11.4321 11.4321 11.4322 11.4322 12.7720 12.7720 13.2460 13.2460 13.2464 13.2464 13.4457 13.4457 13.4754 13.4754 14.7205 14.7209 k = 0.2000 0.2000 0.2000 ( 3182 PWs) bands (ev): -44.2001 -44.2001 -44.1180 -44.1180 -44.1165 -44.1165 -44.1165 -44.1165 -20.9837 -20.9837 -20.9149 -20.9149 -20.9145 -20.9145 -20.7266 -20.7266 -20.3549 -20.3549 -20.3223 -20.3223 -20.2889 -20.2889 -20.1884 -20.1884 -20.1493 -20.1493 -20.1239 -20.1239 -20.0856 -20.0856 -19.9830 -19.9830 4.9263 4.9263 7.2539 7.2539 9.5724 9.5724 10.5500 10.5500 10.5507 10.5507 11.1811 11.1811 11.4549 11.4549 11.4550 11.4550 12.7423 12.7423 13.1859 13.1859 13.1859 13.1859 13.4504 13.4504 13.4812 13.4812 14.6550 14.6552 k = 0.2077 0.2077 0.2077 ( 3182 PWs) bands (ev): -44.1979 -44.1979 -44.1188 -44.1188 -44.1172 -44.1172 -44.1172 -44.1172 -20.9817 -20.9817 -20.9137 -20.9137 -20.9136 -20.9136 -20.7332 -20.7332 -20.3544 -20.3544 -20.3215 -20.3215 -20.2864 -20.2864 -20.1862 -20.1862 -20.1483 -20.1483 -20.1222 -20.1222 -20.0923 -20.0923 -19.9845 -19.9845 4.9795 4.9795 7.2044 7.2044 9.6152 9.6152 10.5798 10.5798 10.5805 10.5805 11.2369 11.2369 11.4771 11.4771 11.4772 11.4772 12.7130 12.7130 13.1304 13.1304 13.1304 13.1304 13.4540 13.4540 13.4855 13.4855 14.5875 14.5887 k = 0.2154 0.2154 0.2154 ( 3182 PWs) bands (ev): -44.1957 -44.1957 -44.1196 -44.1196 -44.1179 -44.1179 -44.1179 -44.1179 -20.9799 -20.9799 -20.9128 -20.9128 -20.9126 -20.9126 -20.7399 -20.7399 -20.3539 -20.3539 -20.3207 -20.3207 -20.2840 -20.2840 -20.1839 -20.1839 -20.1470 -20.1470 -20.1210 -20.1210 -20.0981 -20.0981 -19.9860 -19.9860 5.0317 5.0317 7.1581 7.1581 9.6582 9.6582 10.6083 10.6083 10.6090 10.6090 11.2927 11.2927 11.4987 11.4987 11.4988 11.4988 12.6842 12.6842 13.0802 13.0802 13.0803 13.0803 13.4559 13.4559 13.4881 13.4881 14.5212 14.5226 k = 0.2231 0.2231 0.2231 ( 3185 PWs) bands (ev): -44.1934 -44.1934 -44.1204 -44.1204 -44.1186 -44.1186 -44.1186 -44.1186 -20.9785 -20.9785 -20.9121 -20.9121 -20.9116 -20.9116 -20.7467 -20.7467 -20.3534 -20.3534 -20.3198 -20.3198 -20.2817 -20.2817 -20.1814 -20.1814 -20.1455 -20.1455 -20.1212 -20.1212 -20.1022 -20.1022 -19.9875 -19.9875 5.0825 5.0825 7.1156 7.1156 9.7012 9.7012 10.6348 10.6348 10.6354 10.6354 11.3485 11.3485 11.5197 11.5197 11.5199 11.5199 12.6563 12.6563 13.0359 13.0359 13.0360 13.0360 13.4562 13.4562 13.4888 13.4888 14.4555 14.4564 k = 0.2308 0.2308 0.2308 ( 3185 PWs) bands (ev): -44.1911 -44.1911 -44.1212 -44.1212 -44.1193 -44.1193 -44.1193 -44.1193 -20.9773 -20.9773 -20.9115 -20.9115 -20.9106 -20.9106 -20.7536 -20.7536 -20.3529 -20.3529 -20.3189 -20.3189 -20.2795 -20.2795 -20.1788 -20.1788 -20.1437 -20.1437 -20.1240 -20.1240 -20.1035 -20.1035 -19.9890 -19.9890 5.1313 5.1313 7.0772 7.0772 9.7438 9.7438 10.6588 10.6588 10.6594 10.6594 11.4041 11.4041 11.5405 11.5405 11.5407 11.5407 12.6295 12.6295 12.9979 12.9979 12.9979 12.9979 13.4547 13.4547 13.4876 13.4876 14.3907 14.3916 k = 0.2385 0.2385 0.2385 ( 3191 PWs) bands (ev): -44.1888 -44.1888 -44.1220 -44.1220 -44.1200 -44.1200 -44.1200 -44.1200 -20.9765 -20.9765 -20.9111 -20.9111 -20.9098 -20.9098 -20.7606 -20.7606 -20.3524 -20.3524 -20.3180 -20.3180 -20.2774 -20.2774 -20.1761 -20.1761 -20.1418 -20.1418 -20.1288 -20.1288 -20.1025 -20.1025 -19.9905 -19.9905 5.1775 5.1775 7.0436 7.0436 9.7860 9.7860 10.6796 10.6796 10.6802 10.6802 11.4596 11.4596 11.5612 11.5612 11.5615 11.5615 12.6042 12.6042 12.9661 12.9661 12.9662 12.9662 13.4513 13.4513 13.4845 13.4845 14.3265 14.3277 k = 0.2462 0.2462 0.2462 ( 3197 PWs) bands (ev): -44.1865 -44.1865 -44.1229 -44.1229 -44.1207 -44.1207 -44.1207 -44.1207 -20.9760 -20.9760 -20.9108 -20.9108 -20.9090 -20.9090 -20.7677 -20.7677 -20.3519 -20.3519 -20.3170 -20.3170 -20.2753 -20.2753 -20.1733 -20.1733 -20.1396 -20.1396 -20.1345 -20.1345 -20.1002 -20.1002 -19.9920 -19.9920 5.2206 5.2206 7.0153 7.0153 9.8274 9.8274 10.6968 10.6968 10.6973 10.6973 11.5149 11.5149 11.5825 11.5825 11.5828 11.5828 12.5807 12.5807 12.9409 12.9409 12.9410 12.9410 13.4463 13.4463 13.4795 13.4795 14.2633 14.2639 k = 0.2538 0.2538 0.2538 ( 3197 PWs) bands (ev): -44.1842 -44.1842 -44.1237 -44.1237 -44.1214 -44.1214 -44.1214 -44.1214 -20.9757 -20.9757 -20.9106 -20.9106 -20.9082 -20.9082 -20.7749 -20.7749 -20.3514 -20.3514 -20.3160 -20.3160 -20.2733 -20.2733 -20.1706 -20.1706 -20.1402 -20.1402 -20.1371 -20.1371 -20.0973 -20.0973 -19.9935 -19.9935 5.2598 5.2598 6.9928 6.9928 9.8678 9.8678 10.7096 10.7096 10.7101 10.7101 11.5700 11.5700 11.6048 11.6048 11.6052 11.6052 12.5592 12.5592 12.9220 12.9220 12.9223 12.9223 13.4396 13.4396 13.4728 13.4728 14.2014 14.2022 k = 0.2615 0.2615 0.2615 ( 3188 PWs) bands (ev): -44.1819 -44.1819 -44.1245 -44.1245 -44.1221 -44.1221 -44.1221 -44.1221 -20.9758 -20.9758 -20.9104 -20.9104 -20.9075 -20.9075 -20.7820 -20.7820 -20.3508 -20.3508 -20.3149 -20.3149 -20.2714 -20.2714 -20.1684 -20.1684 -20.1453 -20.1453 -20.1344 -20.1344 -20.0939 -20.0939 -19.9949 -19.9949 5.2947 5.2947 6.9766 6.9766 9.9070 9.9070 10.7177 10.7177 10.7182 10.7182 11.6247 11.6247 11.6287 11.6287 11.6293 11.6293 12.5402 12.5402 12.9094 12.9094 12.9098 12.9098 13.4313 13.4313 13.4644 13.4644 14.1402 14.1408 k = 0.2692 0.2692 0.2692 ( 3194 PWs) bands (ev): -44.1796 -44.1796 -44.1253 -44.1253 -44.1228 -44.1228 -44.1228 -44.1228 -20.9762 -20.9762 -20.9105 -20.9105 -20.9070 -20.9070 -20.7891 -20.7891 -20.3502 -20.3502 -20.3138 -20.3138 -20.2696 -20.2696 -20.1675 -20.1675 -20.1490 -20.1490 -20.1316 -20.1316 -20.0904 -20.0904 -19.9963 -19.9963 5.3247 5.3247 6.9672 6.9672 9.9447 9.9447 10.7206 10.7206 10.7210 10.7210 11.6548 11.6548 11.6552 11.6552 11.6793 11.6793 12.5239 12.5239 12.9027 12.9027 12.9032 12.9032 13.4216 13.4216 13.4543 13.4543 14.0810 14.0811 k = 0.2769 0.2769 0.2769 ( 3193 PWs) bands (ev): -44.1773 -44.1773 -44.1261 -44.1261 -44.1235 -44.1235 -44.1235 -44.1235 -20.9769 -20.9769 -20.9107 -20.9107 -20.9065 -20.9065 -20.7963 -20.7963 -20.3496 -20.3496 -20.3127 -20.3127 -20.2679 -20.2679 -20.1689 -20.1689 -20.1501 -20.1501 -20.1286 -20.1286 -20.0867 -20.0867 -19.9977 -19.9977 5.3493 5.3493 6.9649 6.9649 9.9805 9.9805 10.7183 10.7183 10.7186 10.7186 11.6834 11.6834 11.6839 11.6839 11.7333 11.7333 12.5108 12.5108 12.9014 12.9014 12.9021 12.9021 13.4105 13.4105 13.4429 13.4429 14.0229 14.0234 k = 0.2846 0.2846 0.2846 ( 3190 PWs) bands (ev): -44.1751 -44.1751 -44.1269 -44.1269 -44.1242 -44.1242 -44.1242 -44.1242 -20.9779 -20.9779 -20.9109 -20.9109 -20.9061 -20.9061 -20.8033 -20.8033 -20.3489 -20.3489 -20.3115 -20.3115 -20.2662 -20.2662 -20.1726 -20.1726 -20.1486 -20.1486 -20.1255 -20.1255 -20.0828 -20.0828 -19.9990 -19.9990 5.3684 5.3684 6.9697 6.9697 10.0144 10.0144 10.7107 10.7107 10.7110 10.7110 11.7150 11.7150 11.7156 11.7156 11.7867 11.7867 12.5011 12.5011 12.9050 12.9050 12.9059 12.9059 13.3983 13.3983 13.4302 13.4302 13.9665 13.9667 k = 0.2923 0.2923 0.2923 ( 3202 PWs) bands (ev): -44.1728 -44.1728 -44.1277 -44.1277 -44.1249 -44.1249 -44.1249 -44.1249 -20.9793 -20.9793 -20.9114 -20.9114 -20.9059 -20.9059 -20.8103 -20.8103 -20.3483 -20.3483 -20.3103 -20.3103 -20.2647 -20.2647 -20.1775 -20.1775 -20.1458 -20.1458 -20.1223 -20.1223 -20.0789 -20.0789 -20.0003 -20.0003 5.3819 5.3819 6.9818 6.9818 10.0459 10.0459 10.6982 10.6982 10.6984 10.6984 11.7496 11.7496 11.7503 11.7503 11.8395 11.8395 12.4951 12.4951 12.9129 12.9129 12.9140 12.9140 13.3851 13.3851 13.4163 13.4163 13.9119 13.9128 k = 0.3000 0.3000 0.3000 ( 3202 PWs) bands (ev): -44.1706 -44.1706 -44.1285 -44.1285 -44.1256 -44.1256 -44.1256 -44.1256 -20.9809 -20.9809 -20.9119 -20.9119 -20.9058 -20.9058 -20.8172 -20.8172 -20.3476 -20.3476 -20.3091 -20.3091 -20.2632 -20.2632 -20.1826 -20.1826 -20.1423 -20.1423 -20.1189 -20.1189 -20.0749 -20.0749 -20.0015 -20.0015 5.3898 5.3898 7.0007 7.0007 10.0748 10.0748 10.6812 10.6812 10.6813 10.6813 11.7874 11.7874 11.7882 11.7882 11.8915 11.8915 12.4931 12.4931 12.9245 12.9245 12.9259 12.9259 13.3710 13.3710 13.4014 13.4014 13.8591 13.8591 k = 0.3077 0.3077 0.3077 ( 3211 PWs) bands (ev): -44.1685 -44.1685 -44.1293 -44.1293 -44.1263 -44.1263 -44.1263 -44.1263 -20.9828 -20.9828 -20.9125 -20.9125 -20.9058 -20.9058 -20.8241 -20.8241 -20.3469 -20.3469 -20.3079 -20.3079 -20.2617 -20.2617 -20.1879 -20.1879 -20.1385 -20.1385 -20.1155 -20.1155 -20.0709 -20.0709 -20.0028 -20.0028 5.3925 5.3925 7.0262 7.0262 10.1011 10.1011 10.6601 10.6601 10.6602 10.6602 11.8281 11.8281 11.8290 11.8290 11.9427 11.9427 12.4953 12.4953 12.9392 12.9392 12.9409 12.9409 13.3562 13.3562 13.3856 13.3856 13.8082 13.8082 k = 0.3154 0.3154 0.3154 ( 3205 PWs) bands (ev): -44.1663 -44.1663 -44.1300 -44.1300 -44.1270 -44.1270 -44.1270 -44.1270 -20.9849 -20.9849 -20.9133 -20.9133 -20.9060 -20.9060 -20.8306 -20.8306 -20.3461 -20.3461 -20.3066 -20.3066 -20.2603 -20.2603 -20.1929 -20.1929 -20.1345 -20.1345 -20.1121 -20.1121 -20.0668 -20.0668 -20.0038 -20.0038 5.3904 5.3904 7.0576 7.0576 10.1244 10.1244 10.6356 10.6356 10.6357 10.6357 11.8716 11.8716 11.8725 11.8725 11.9929 11.9929 12.5020 12.5020 12.9562 12.9562 12.9583 12.9583 13.3408 13.3408 13.3691 13.3691 13.7594 13.7599 k = 0.3231 0.3231 0.3231 ( 3205 PWs) bands (ev): -44.1642 -44.1642 -44.1307 -44.1307 -44.1276 -44.1276 -44.1276 -44.1276 -20.9872 -20.9872 -20.9141 -20.9141 -20.9062 -20.9062 -20.8370 -20.8370 -20.3454 -20.3454 -20.3054 -20.3054 -20.2589 -20.2589 -20.1977 -20.1977 -20.1304 -20.1304 -20.1086 -20.1086 -20.0627 -20.0627 -20.0048 -20.0048 5.3840 5.3840 7.0942 7.0942 10.1446 10.1446 10.6084 10.6084 10.6084 10.6084 11.9176 11.9176 11.9186 11.9186 12.0422 12.0422 12.5129 12.5129 12.9749 12.9749 12.9775 12.9775 13.3251 13.3251 13.3520 13.3520 13.7127 13.7127 k = 0.3308 0.3308 0.3308 ( 3199 PWs) bands (ev): -44.1622 -44.1622 -44.1314 -44.1314 -44.1282 -44.1282 -44.1282 -44.1282 -20.9897 -20.9897 -20.9149 -20.9149 -20.9066 -20.9066 -20.8432 -20.8432 -20.3445 -20.3445 -20.3041 -20.3041 -20.2576 -20.2576 -20.2024 -20.2024 -20.1262 -20.1262 -20.1051 -20.1051 -20.0586 -20.0586 -20.0056 -20.0056 5.3741 5.3741 7.1353 7.1353 10.1617 10.1617 10.5790 10.5790 10.5790 10.5790 11.9658 11.9658 11.9669 11.9669 12.0905 12.0905 12.5282 12.5282 12.9946 12.9946 12.9979 12.9979 13.3093 13.3093 13.3346 13.3346 13.6683 13.6683 k = 0.3385 0.3385 0.3385 ( 3199 PWs) bands (ev): -44.1602 -44.1602 -44.1321 -44.1321 -44.1289 -44.1289 -44.1289 -44.1289 -20.9924 -20.9924 -20.9159 -20.9159 -20.9072 -20.9072 -20.8491 -20.8491 -20.3438 -20.3438 -20.3029 -20.3029 -20.2564 -20.2564 -20.2068 -20.2068 -20.1220 -20.1220 -20.1017 -20.1017 -20.0544 -20.0544 -20.0064 -20.0064 5.3611 5.3611 7.1801 7.1801 10.1757 10.1757 10.5479 10.5479 10.5480 10.5480 12.0159 12.0159 12.0171 12.0171 12.1380 12.1380 12.5475 12.5475 13.0146 13.0146 13.0187 13.0187 13.2937 13.2937 13.3169 13.3169 13.6263 13.6263 k = 0.3462 0.3462 0.3462 ( 3205 PWs) bands (ev): -44.1583 -44.1583 -44.1328 -44.1328 -44.1295 -44.1295 -44.1295 -44.1295 -20.9952 -20.9952 -20.9169 -20.9169 -20.9080 -20.9080 -20.8548 -20.8548 -20.3431 -20.3431 -20.3018 -20.3018 -20.2552 -20.2552 -20.2110 -20.2110 -20.1179 -20.1179 -20.0985 -20.0985 -20.0505 -20.0505 -20.0071 -20.0071 5.3457 5.3457 7.2278 7.2278 10.1865 10.1865 10.5158 10.5158 10.5159 10.5159 12.0675 12.0675 12.0688 12.0688 12.1847 12.1847 12.5704 12.5704 13.0340 13.0340 13.0394 13.0394 13.2787 13.2787 13.2994 13.2994 13.5867 13.5867 k = 0.3538 0.3538 0.3538 ( 3202 PWs) bands (ev): -44.1564 -44.1564 -44.1334 -44.1334 -44.1300 -44.1300 -44.1300 -44.1300 -20.9982 -20.9982 -20.9179 -20.9179 -20.9088 -20.9088 -20.8601 -20.8601 -20.3423 -20.3423 -20.3006 -20.3006 -20.2540 -20.2540 -20.2148 -20.2148 -20.1138 -20.1138 -20.0953 -20.0953 -20.0466 -20.0466 -20.0076 -20.0076 5.3284 5.3284 7.2778 7.2778 10.1943 10.1943 10.4832 10.4832 10.4833 10.4833 12.1205 12.1205 12.1219 12.1219 12.2309 12.2309 12.5966 12.5966 13.0519 13.0519 13.0589 13.0589 13.2649 13.2649 13.2824 13.2824 13.5497 13.5498 k = 0.3615 0.3615 0.3615 ( 3202 PWs) bands (ev): -44.1546 -44.1546 -44.1340 -44.1340 -44.1306 -44.1306 -44.1306 -44.1306 -21.0012 -21.0012 -20.9190 -20.9190 -20.9098 -20.9098 -20.8651 -20.8651 -20.3416 -20.3416 -20.2995 -20.2995 -20.2529 -20.2529 -20.2184 -20.2184 -20.1097 -20.1097 -20.0922 -20.0922 -20.0427 -20.0427 -20.0081 -20.0081 5.3098 5.3098 7.3292 7.3292 10.1992 10.1992 10.4504 10.4504 10.4505 10.4505 12.1745 12.1745 12.1759 12.1759 12.2767 12.2767 12.6253 12.6253 13.0671 13.0671 13.0764 13.0764 13.2532 13.2532 13.2667 13.2667 13.5154 13.5154 k = 0.3692 0.3692 0.3692 ( 3202 PWs) bands (ev): -44.1529 -44.1529 -44.1346 -44.1346 -44.1311 -44.1311 -44.1311 -44.1311 -21.0042 -21.0042 -20.9201 -20.9201 -20.9110 -20.9110 -20.8698 -20.8698 -20.3409 -20.3409 -20.2985 -20.2985 -20.2518 -20.2518 -20.2217 -20.2217 -20.1058 -20.1058 -20.0893 -20.0893 -20.0390 -20.0390 -20.0084 -20.0084 5.2903 5.2903 7.3815 7.3815 10.2014 10.2014 10.4178 10.4178 10.4179 10.4179 12.2292 12.2292 12.2307 12.2307 12.3223 12.3223 12.6559 12.6559 13.0781 13.0781 13.0905 13.0905 13.2445 13.2445 13.2533 13.2533 13.4839 13.4839 k = 0.3769 0.3769 0.3769 ( 3184 PWs) bands (ev): -44.1513 -44.1513 -44.1351 -44.1351 -44.1316 -44.1316 -44.1316 -44.1316 -21.0073 -21.0073 -20.9212 -20.9212 -20.9122 -20.9122 -20.8741 -20.8741 -20.3402 -20.3402 -20.2974 -20.2974 -20.2507 -20.2507 -20.2246 -20.2246 -20.1019 -20.1019 -20.0864 -20.0864 -20.0353 -20.0353 -20.0085 -20.0085 5.2704 5.2704 7.4341 7.4341 10.2011 10.2011 10.3857 10.3857 10.3858 10.3858 12.2843 12.2843 12.2859 12.2859 12.3678 12.3678 12.6878 12.6878 13.0838 13.0838 13.0997 13.0997 13.2400 13.2400 13.2433 13.2433 13.4552 13.4552 k = 0.3846 0.3846 0.3846 ( 3184 PWs) bands (ev): -44.1498 -44.1498 -44.1356 -44.1356 -44.1321 -44.1321 -44.1321 -44.1321 -21.0104 -21.0104 -20.9223 -20.9223 -20.9136 -20.9136 -20.8780 -20.8780 -20.3396 -20.3396 -20.2965 -20.2965 -20.2498 -20.2498 -20.2273 -20.2273 -20.0981 -20.0981 -20.0839 -20.0839 -20.0319 -20.0319 -20.0086 -20.0086 5.2503 5.2503 7.4863 7.4863 10.1986 10.1986 10.3545 10.3545 10.3546 10.3546 12.3395 12.3395 12.3412 12.3412 12.4133 12.4133 12.7203 12.7203 13.0835 13.0835 13.1025 13.1025 13.2380 13.2380 13.2396 13.2396 13.4294 13.4294 k = 0.3923 0.3923 0.3923 ( 3184 PWs) bands (ev): -44.1484 -44.1484 -44.1361 -44.1361 -44.1326 -44.1326 -44.1326 -44.1326 -21.0135 -21.0135 -20.9234 -20.9234 -20.9152 -20.9152 -20.8816 -20.8816 -20.3390 -20.3390 -20.2957 -20.2957 -20.2488 -20.2488 -20.2297 -20.2297 -20.0946 -20.0946 -20.0815 -20.0815 -20.0285 -20.0285 -20.0086 -20.0086 5.2305 5.2305 7.5378 7.5378 10.1942 10.1942 10.3244 10.3244 10.3245 10.3245 12.3946 12.3946 12.3964 12.3964 12.4587 12.4587 12.7527 12.7527 13.0779 13.0779 13.0988 13.0988 13.2372 13.2372 13.2425 13.2425 13.4068 13.4068 k = 0.4000 0.4000 0.4000 ( 3190 PWs) bands (ev): -44.1470 -44.1470 -44.1365 -44.1365 -44.1330 -44.1330 -44.1330 -44.1330 -21.0165 -21.0165 -20.9245 -20.9245 -20.9169 -20.9169 -20.8848 -20.8848 -20.3386 -20.3386 -20.2949 -20.2949 -20.2480 -20.2480 -20.2318 -20.2318 -20.0912 -20.0912 -20.0794 -20.0794 -20.0254 -20.0254 -20.0084 -20.0084 5.2110 5.2110 7.5879 7.5879 10.1881 10.1881 10.2956 10.2956 10.2957 10.2957 12.4493 12.4493 12.4512 12.4512 12.5040 12.5040 12.7844 12.7844 13.0685 13.0685 13.0899 13.0899 13.2392 13.2392 13.2468 13.2468 13.3876 13.3876 k = 0.4077 0.4077 0.4077 ( 3190 PWs) bands (ev): -44.1458 -44.1458 -44.1368 -44.1368 -44.1334 -44.1334 -44.1334 -44.1334 -21.0194 -21.0194 -20.9255 -20.9255 -20.9186 -20.9186 -20.8876 -20.8876 -20.3381 -20.3381 -20.2942 -20.2942 -20.2471 -20.2471 -20.2337 -20.2337 -20.0879 -20.0879 -20.0774 -20.0774 -20.0224 -20.0224 -20.0082 -20.0082 5.1923 5.1923 7.6364 7.6364 10.1807 10.1807 10.2683 10.2683 10.2685 10.2685 12.5033 12.5033 12.5053 12.5053 12.5490 12.5490 12.8149 12.8149 13.0567 13.0567 13.0778 13.0778 13.2420 13.2420 13.2505 13.2505 13.3721 13.3721 k = 0.4154 0.4154 0.4154 ( 3193 PWs) bands (ev): -44.1448 -44.1448 -44.1371 -44.1371 -44.1338 -44.1338 -44.1338 -44.1338 -21.0222 -21.0222 -20.9265 -20.9265 -20.9204 -20.9204 -20.8902 -20.8902 -20.3378 -20.3378 -20.2936 -20.2936 -20.2463 -20.2463 -20.2354 -20.2354 -20.0849 -20.0849 -20.0757 -20.0757 -20.0196 -20.0196 -20.0079 -20.0079 5.1745 5.1745 7.6826 7.6826 10.1724 10.1724 10.2427 10.2427 10.2428 10.2428 12.5563 12.5563 12.5584 12.5584 12.5934 12.5934 12.8437 12.8437 13.0436 13.0436 13.0641 13.0641 13.2437 13.2437 13.2521 13.2521 13.3605 13.3605 k = 0.4231 0.4231 0.4231 ( 3184 PWs) bands (ev): -44.1439 -44.1439 -44.1373 -44.1373 -44.1341 -44.1341 -44.1341 -44.1341 -21.0248 -21.0248 -20.9274 -20.9274 -20.9221 -20.9221 -20.8923 -20.8923 -20.3374 -20.3374 -20.2930 -20.2930 -20.2455 -20.2455 -20.2367 -20.2367 -20.0820 -20.0820 -20.0742 -20.0742 -20.0170 -20.0170 -20.0075 -20.0075 5.1577 5.1577 7.7264 7.7264 10.1634 10.1634 10.2189 10.2189 10.2190 10.2190 12.6079 12.6079 12.6101 12.6101 12.6370 12.6370 12.8703 12.8703 13.0302 13.0302 13.0499 13.0499 13.2434 13.2434 13.2508 13.2508 13.3528 13.3528 k = 0.4308 0.4308 0.4308 ( 3184 PWs) bands (ev): -44.1431 -44.1431 -44.1373 -44.1373 -44.1344 -44.1344 -44.1344 -44.1344 -21.0273 -21.0273 -20.9283 -20.9283 -20.9238 -20.9238 -20.8941 -20.8941 -20.3372 -20.3372 -20.2925 -20.2925 -20.2449 -20.2449 -20.2379 -20.2379 -20.0794 -20.0794 -20.0728 -20.0728 -20.0146 -20.0146 -20.0070 -20.0070 5.1422 5.1422 7.7672 7.7672 10.1540 10.1540 10.1970 10.1970 10.1971 10.1971 12.6577 12.6577 12.6601 12.6601 12.6793 12.6793 12.8942 12.8942 13.0170 13.0170 13.0359 13.0359 13.2410 13.2410 13.2466 13.2466 13.3482 13.3482 k = 0.4385 0.4385 0.4385 ( 3184 PWs) bands (ev): -44.1426 -44.1426 -44.1373 -44.1373 -44.1347 -44.1347 -44.1347 -44.1347 -21.0296 -21.0296 -20.9291 -20.9291 -20.9254 -20.9254 -20.8957 -20.8957 -20.3370 -20.3370 -20.2921 -20.2921 -20.2443 -20.2443 -20.2389 -20.2389 -20.0770 -20.0770 -20.0717 -20.0717 -20.0124 -20.0124 -20.0065 -20.0065 5.1279 5.1279 7.8048 7.8048 10.1447 10.1447 10.1771 10.1771 10.1773 10.1773 12.7054 12.7054 12.7080 12.7080 12.7200 12.7200 12.9151 12.9151 13.0044 13.0044 13.0226 13.0226 13.2366 13.2366 13.2403 13.2403 13.3456 13.3456 k = 0.4462 0.4462 0.4462 ( 3175 PWs) bands (ev): -44.1422 -44.1422 -44.1371 -44.1371 -44.1350 -44.1350 -44.1350 -44.1350 -21.0316 -21.0316 -20.9298 -20.9298 -20.9269 -20.9269 -20.8971 -20.8971 -20.3368 -20.3368 -20.2917 -20.2917 -20.2437 -20.2437 -20.2397 -20.2397 -20.0749 -20.0749 -20.0707 -20.0707 -20.0104 -20.0104 -20.0060 -20.0060 5.1152 5.1152 7.8388 7.8388 10.1357 10.1357 10.1594 10.1594 10.1596 10.1596 12.7504 12.7504 12.7532 12.7532 12.7589 12.7589 12.9325 12.9325 12.9927 12.9927 13.0105 13.0105 13.2309 13.2309 13.2329 13.2329 13.3437 13.3437 k = 0.4538 0.4538 0.4538 ( 3175 PWs) bands (ev): -44.1419 -44.1419 -44.1369 -44.1369 -44.1352 -44.1352 -44.1352 -44.1352 -21.0335 -21.0335 -20.9305 -20.9305 -20.9283 -20.9283 -20.8982 -20.8982 -20.3367 -20.3367 -20.2914 -20.2914 -20.2433 -20.2433 -20.2403 -20.2403 -20.0730 -20.0730 -20.0698 -20.0698 -20.0088 -20.0088 -20.0056 -20.0056 5.1039 5.1039 7.8689 7.8689 10.1272 10.1272 10.1439 10.1439 10.1441 10.1441 12.7923 12.7923 12.7944 12.7944 12.7962 12.7962 12.9462 12.9462 12.9822 12.9822 12.9999 12.9999 13.2243 13.2243 13.2250 13.2250 13.3418 13.3418 k = 0.4615 0.4615 0.4615 ( 3169 PWs) bands (ev): -44.1418 -44.1418 -44.1366 -44.1366 -44.1354 -44.1354 -44.1354 -44.1354 -21.0351 -21.0351 -20.9310 -20.9310 -20.9294 -20.9294 -20.8991 -20.8991 -20.3365 -20.3365 -20.2911 -20.2911 -20.2428 -20.2428 -20.2408 -20.2408 -20.0714 -20.0714 -20.0692 -20.0692 -20.0073 -20.0073 -20.0051 -20.0051 5.0943 5.0943 7.8949 7.8949 10.1195 10.1195 10.1307 10.1307 10.1308 10.1308 12.8286 12.8286 12.8304 12.8304 12.8340 12.8340 12.9556 12.9556 12.9729 12.9729 12.9910 12.9910 13.2173 13.2173 13.2174 13.2174 13.3396 13.3396 k = 0.4692 0.4692 0.4692 ( 3175 PWs) bands (ev): -44.1418 -44.1418 -44.1364 -44.1364 -44.1355 -44.1355 -44.1355 -44.1355 -21.0364 -21.0364 -20.9315 -20.9315 -20.9305 -20.9305 -20.8999 -20.8999 -20.3365 -20.3365 -20.2909 -20.2909 -20.2425 -20.2425 -20.2412 -20.2412 -20.0701 -20.0701 -20.0687 -20.0687 -20.0061 -20.0061 -20.0048 -20.0048 5.0863 5.0863 7.9165 7.9165 10.1129 10.1129 10.1198 10.1198 10.1200 10.1200 12.8591 12.8591 12.8640 12.8640 12.8679 12.8679 12.9603 12.9603 12.9650 12.9650 12.9843 12.9843 13.2101 13.2101 13.2105 13.2105 13.3370 13.3370 k = 0.4769 0.4769 0.4769 ( 3175 PWs) bands (ev): -44.1417 -44.1417 -44.1361 -44.1361 -44.1357 -44.1357 -44.1357 -44.1357 -21.0374 -21.0374 -20.9319 -20.9319 -20.9313 -20.9313 -20.9005 -20.9005 -20.3365 -20.3365 -20.2907 -20.2907 -20.2423 -20.2423 -20.2415 -20.2415 -20.0691 -20.0691 -20.0683 -20.0683 -20.0052 -20.0052 -20.0044 -20.0044 5.0801 5.0801 7.9335 7.9335 10.1076 10.1076 10.1113 10.1113 10.1114 10.1114 12.8860 12.8860 12.8923 12.8923 12.8965 12.8965 12.9584 12.9584 12.9604 12.9604 12.9795 12.9795 13.2037 13.2037 13.2042 13.2042 13.3344 13.3345 k = 0.4846 0.4846 0.4846 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1360 -44.1360 -44.1357 -44.1357 -44.1357 -44.1357 -21.0382 -21.0382 -20.9321 -20.9321 -20.9319 -20.9319 -20.9009 -20.9009 -20.3365 -20.3365 -20.2907 -20.2907 -20.2421 -20.2421 -20.2418 -20.2418 -20.0684 -20.0684 -20.0680 -20.0680 -20.0046 -20.0046 -20.0042 -20.0042 5.0756 5.0756 7.9458 7.9458 10.1036 10.1036 10.1052 10.1052 10.1053 10.1053 12.9090 12.9090 12.9144 12.9144 12.9189 12.9189 12.9529 12.9529 12.9572 12.9572 12.9753 12.9753 13.1986 13.1986 13.1988 13.1988 13.3320 13.3333 k = 0.4923 0.4923 0.4923 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -21.0387 -21.0387 -20.9323 -20.9323 -20.9322 -20.9322 -20.9012 -20.9012 -20.3365 -20.3365 -20.2906 -20.2906 -20.2420 -20.2420 -20.2419 -20.2419 -20.0680 -20.0680 -20.0679 -20.0679 -20.0042 -20.0042 -20.0041 -20.0041 5.0729 5.0729 7.9532 7.9532 10.1012 10.1012 10.1016 10.1016 10.1017 10.1017 12.9274 12.9274 12.9300 12.9300 12.9340 12.9340 12.9479 12.9479 12.9515 12.9515 12.9709 12.9709 13.1952 13.1952 13.1953 13.1953 13.3304 13.3305 k = 0.5000 0.5000 0.5000 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -21.0388 -21.0388 -20.9324 -20.9324 -20.9324 -20.9324 -20.9012 -20.9012 -20.3365 -20.3365 -20.2906 -20.2906 -20.2420 -20.2420 -20.2420 -20.2420 -20.0678 -20.0678 -20.0678 -20.0678 -20.0040 -20.0040 -20.0040 -20.0040 5.0720 5.0720 7.9556 7.9556 10.1003 10.1003 10.1004 10.1004 10.1004 10.1004 12.9376 12.9376 12.9376 12.9376 12.9416 12.9416 12.9439 12.9439 12.9439 12.9439 12.9686 12.9686 13.1940 13.1940 13.1940 13.1940 13.3298 13.3298 k = 0.5000 0.5000 0.5000 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -21.0388 -21.0388 -20.9324 -20.9324 -20.9324 -20.9324 -20.9012 -20.9012 -20.3365 -20.3365 -20.2906 -20.2906 -20.2420 -20.2420 -20.2420 -20.2420 -20.0678 -20.0678 -20.0678 -20.0678 -20.0040 -20.0040 -20.0040 -20.0040 5.0720 5.0720 7.9556 7.9556 10.1003 10.1003 10.1004 10.1004 10.1004 10.1004 12.9376 12.9376 12.9376 12.9376 12.9416 12.9416 12.9439 12.9439 12.9439 12.9439 12.9686 12.9686 13.1940 13.1940 13.1940 13.1940 13.3298 13.3298 k = 0.4906 0.5000 0.4906 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -21.0387 -21.0387 -20.9323 -20.9323 -20.9322 -20.9322 -20.9012 -20.9012 -20.3365 -20.3365 -20.2906 -20.2906 -20.2420 -20.2420 -20.2419 -20.2419 -20.0679 -20.0679 -20.0679 -20.0679 -20.0042 -20.0042 -20.0041 -20.0041 5.0729 5.0729 7.9532 7.9532 10.1009 10.1009 10.1015 10.1015 10.1020 10.1020 12.9280 12.9280 12.9292 12.9292 12.9345 12.9345 12.9472 12.9472 12.9519 12.9519 12.9710 12.9710 13.1950 13.1950 13.1954 13.1954 13.3304 13.3306 k = 0.4811 0.5000 0.4811 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1359 -44.1359 -44.1358 -44.1358 -44.1357 -44.1357 -21.0382 -21.0382 -20.9321 -20.9321 -20.9319 -20.9319 -20.9009 -20.9009 -20.3365 -20.3365 -20.2907 -20.2907 -20.2421 -20.2421 -20.2418 -20.2418 -20.0684 -20.0684 -20.0680 -20.0680 -20.0046 -20.0046 -20.0043 -20.0043 5.0756 5.0756 7.9457 7.9457 10.1025 10.1025 10.1050 10.1050 10.1067 10.1067 12.9098 12.9098 12.9132 12.9132 12.9199 12.9199 12.9506 12.9506 12.9581 12.9581 12.9759 12.9759 13.1981 13.1981 13.1993 13.1993 13.3321 13.3328 k = 0.4717 0.5000 0.4717 ( 3176 PWs) bands (ev): -44.1417 -44.1417 -44.1361 -44.1361 -44.1358 -44.1358 -44.1356 -44.1356 -21.0374 -21.0374 -20.9318 -20.9318 -20.9313 -20.9313 -20.9005 -20.9005 -20.3365 -20.3365 -20.2907 -20.2907 -20.2422 -20.2422 -20.2416 -20.2416 -20.0690 -20.0690 -20.0683 -20.0683 -20.0052 -20.0052 -20.0045 -20.0045 5.0801 5.0801 7.9334 7.9334 10.1051 10.1051 10.1107 10.1107 10.1145 10.1145 12.8861 12.8861 12.8928 12.8928 12.8974 12.8974 12.9534 12.9534 12.9617 12.9617 12.9818 12.9818 13.2029 13.2029 13.2049 13.2049 13.3345 13.3346 k = 0.4623 0.5000 0.4623 ( 3170 PWs) bands (ev): -44.1417 -44.1417 -44.1363 -44.1363 -44.1358 -44.1358 -44.1354 -44.1354 -21.0363 -21.0363 -20.9314 -20.9314 -20.9305 -20.9305 -20.8999 -20.8999 -20.3365 -20.3365 -20.2909 -20.2909 -20.2424 -20.2424 -20.2413 -20.2413 -20.0700 -20.0700 -20.0687 -20.0687 -20.0060 -20.0060 -20.0049 -20.0049 5.0864 5.0864 7.9164 7.9164 10.1088 10.1088 10.1185 10.1185 10.1255 10.1255 12.8574 12.8574 12.8660 12.8660 12.8706 12.8706 12.9524 12.9524 12.9659 12.9659 12.9886 12.9886 13.2091 13.2091 13.2113 13.2113 13.3370 13.3370 k = 0.4528 0.5000 0.4528 ( 3166 PWs) bands (ev): -44.1418 -44.1418 -44.1365 -44.1365 -44.1357 -44.1357 -44.1352 -44.1352 -21.0350 -21.0350 -20.9309 -20.9309 -20.9295 -20.9295 -20.8991 -20.8991 -20.3365 -20.3365 -20.2911 -20.2911 -20.2427 -20.2427 -20.2410 -20.2410 -20.0713 -20.0713 -20.0693 -20.0693 -20.0071 -20.0071 -20.0053 -20.0053 5.0944 5.0944 7.8948 7.8948 10.1134 10.1134 10.1283 10.1283 10.1396 10.1396 12.8243 12.8243 12.8311 12.8311 12.8427 12.8427 12.9462 12.9462 12.9729 12.9729 12.9962 12.9962 13.2165 13.2165 13.2177 13.2177 13.3393 13.3393 k = 0.4434 0.5000 0.4434 ( 3168 PWs) bands (ev): -44.1418 -44.1418 -44.1369 -44.1369 -44.1357 -44.1357 -44.1349 -44.1349 -21.0334 -21.0334 -20.9304 -20.9304 -20.9283 -20.9283 -20.8982 -20.8982 -20.3366 -20.3366 -20.2913 -20.2913 -20.2430 -20.2430 -20.2406 -20.2406 -20.0728 -20.0728 -20.0699 -20.0699 -20.0084 -20.0084 -20.0059 -20.0059 5.1042 5.1042 7.8688 7.8688 10.1189 10.1189 10.1398 10.1398 10.1567 10.1567 12.7874 12.7874 12.7914 12.7914 12.8120 12.8120 12.9358 12.9358 12.9818 12.9818 13.0045 13.0045 13.2236 13.2236 13.2249 13.2249 13.3409 13.3409 k = 0.4340 0.5000 0.4340 ( 3176 PWs) bands (ev): -44.1419 -44.1419 -44.1372 -44.1372 -44.1355 -44.1355 -44.1345 -44.1345 -21.0316 -21.0316 -20.9297 -20.9297 -20.9269 -20.9269 -20.8972 -20.8972 -20.3368 -20.3368 -20.2917 -20.2917 -20.2434 -20.2434 -20.2401 -20.2401 -20.0747 -20.0747 -20.0708 -20.0708 -20.0101 -20.0101 -20.0065 -20.0065 5.1155 5.1155 7.8387 7.8387 10.1253 10.1253 10.1529 10.1529 10.1769 10.1769 12.7463 12.7463 12.7486 12.7486 12.7787 12.7787 12.9219 12.9219 12.9923 12.9923 13.0133 13.0133 13.2283 13.2283 13.2343 13.2343 13.3413 13.3413 k = 0.4245 0.5000 0.4245 ( 3180 PWs) bands (ev): -44.1421 -44.1421 -44.1377 -44.1377 -44.1354 -44.1354 -44.1342 -44.1342 -21.0295 -21.0295 -20.9290 -20.9290 -20.9253 -20.9253 -20.8959 -20.8959 -20.3369 -20.3369 -20.2921 -20.2921 -20.2438 -20.2438 -20.2395 -20.2395 -20.0768 -20.0768 -20.0717 -20.0717 -20.0118 -20.0118 -20.0072 -20.0072 5.1285 5.1285 7.8048 7.8048 10.1325 10.1325 10.1672 10.1672 10.2000 10.2000 12.7004 12.7004 12.7051 12.7051 12.7430 12.7430 12.9050 12.9050 13.0037 13.0037 13.0229 13.0229 13.2311 13.2311 13.2451 13.2451 13.3405 13.3405 k = 0.4151 0.5000 0.4151 ( 3188 PWs) bands (ev): -44.1423 -44.1423 -44.1382 -44.1382 -44.1351 -44.1351 -44.1337 -44.1337 -21.0272 -21.0272 -20.9282 -20.9282 -20.9236 -20.9236 -20.8945 -20.8945 -20.3371 -20.3371 -20.2925 -20.2925 -20.2443 -20.2443 -20.2388 -20.2388 -20.0792 -20.0792 -20.0729 -20.0729 -20.0138 -20.0138 -20.0081 -20.0081 5.1431 5.1431 7.7672 7.7672 10.1403 10.1403 10.1827 10.1827 10.2259 10.2259 12.6514 12.6514 12.6599 12.6599 12.7053 12.7053 12.8854 12.8854 13.0151 13.0151 13.0337 13.0337 13.2312 13.2312 13.2574 13.2574 13.3383 13.3383 k = 0.4057 0.5000 0.4057 ( 3192 PWs) bands (ev): -44.1426 -44.1426 -44.1387 -44.1387 -44.1348 -44.1348 -44.1333 -44.1333 -21.0247 -21.0247 -20.9274 -20.9274 -20.9216 -20.9216 -20.8928 -20.8928 -20.3374 -20.3374 -20.2930 -20.2930 -20.2447 -20.2447 -20.2379 -20.2379 -20.0818 -20.0818 -20.0742 -20.0742 -20.0159 -20.0159 -20.0089 -20.0089 5.1591 5.1591 7.7264 7.7264 10.1488 10.1488 10.1989 10.1989 10.2548 10.2548 12.6003 12.6003 12.6129 12.6129 12.6661 12.6661 12.8631 12.8631 13.0249 13.0249 13.0469 13.0469 13.2281 13.2281 13.2718 13.2718 13.3347 13.3347 k = 0.3962 0.5000 0.3962 ( 3192 PWs) bands (ev): -44.1430 -44.1430 -44.1393 -44.1393 -44.1344 -44.1344 -44.1328 -44.1328 -21.0220 -21.0220 -20.9266 -20.9266 -20.9196 -20.9196 -20.8910 -20.8910 -20.3377 -20.3377 -20.2935 -20.2935 -20.2451 -20.2451 -20.2370 -20.2370 -20.0846 -20.0846 -20.0756 -20.0756 -20.0181 -20.0181 -20.0098 -20.0098 5.1766 5.1766 7.6826 7.6826 10.1577 10.1577 10.2157 10.2157 10.2864 10.2864 12.5477 12.5477 12.5646 12.5646 12.6258 12.6258 12.8385 12.8385 13.0323 13.0323 13.0628 13.0628 13.2212 13.2212 13.2883 13.2883 13.3300 13.3300 k = 0.3868 0.5000 0.3868 ( 3192 PWs) bands (ev): -44.1434 -44.1434 -44.1399 -44.1399 -44.1339 -44.1339 -44.1322 -44.1322 -21.0191 -21.0191 -20.9257 -20.9257 -20.9173 -20.9173 -20.8889 -20.8889 -20.3381 -20.3381 -20.2940 -20.2940 -20.2456 -20.2456 -20.2359 -20.2359 -20.0877 -20.0877 -20.0772 -20.0772 -20.0204 -20.0204 -20.0107 -20.0107 5.1953 5.1953 7.6360 7.6360 10.1670 10.1670 10.2329 10.2329 10.3206 10.3206 12.4939 12.4939 12.5153 12.5153 12.5847 12.5847 12.8117 12.8117 13.0375 13.0375 13.0810 13.0810 13.2105 13.2105 13.3065 13.3065 13.3250 13.3250 k = 0.3774 0.5000 0.3774 ( 3190 PWs) bands (ev): -44.1439 -44.1439 -44.1406 -44.1406 -44.1334 -44.1334 -44.1316 -44.1316 -21.0160 -21.0160 -20.9249 -20.9249 -20.9148 -20.9148 -20.8867 -20.8867 -20.3386 -20.3386 -20.2946 -20.2946 -20.2459 -20.2459 -20.2346 -20.2346 -20.0910 -20.0910 -20.0789 -20.0789 -20.0228 -20.0228 -20.0116 -20.0116 5.2154 5.2154 7.5869 7.5869 10.1765 10.1765 10.2500 10.2500 10.3575 10.3575 12.4391 12.4391 12.4653 12.4653 12.5433 12.5433 12.7829 12.7829 13.0406 13.0406 13.1011 13.1011 13.1961 13.1961 13.3130 13.3130 13.3336 13.3336 k = 0.3679 0.5000 0.3679 ( 3188 PWs) bands (ev): -44.1445 -44.1445 -44.1413 -44.1413 -44.1328 -44.1328 -44.1310 -44.1310 -21.0129 -21.0129 -20.9240 -20.9240 -20.9123 -20.9123 -20.8843 -20.8843 -20.3391 -20.3391 -20.2952 -20.2952 -20.2462 -20.2462 -20.2333 -20.2333 -20.0944 -20.0944 -20.0808 -20.0808 -20.0252 -20.0252 -20.0127 -20.0127 5.2365 5.2365 7.5357 7.5357 10.1862 10.1862 10.2670 10.2670 10.3969 10.3969 12.3838 12.3838 12.4150 12.4150 12.5018 12.5018 12.7523 12.7523 13.0420 13.0420 13.1228 13.1228 13.1785 13.1785 13.3059 13.3059 13.3578 13.3578 k = 0.3585 0.5000 0.3585 ( 3188 PWs) bands (ev): -44.1451 -44.1451 -44.1421 -44.1421 -44.1322 -44.1322 -44.1303 -44.1303 -21.0096 -21.0096 -20.9232 -20.9232 -20.9096 -20.9096 -20.8816 -20.8816 -20.3397 -20.3397 -20.2959 -20.2959 -20.2465 -20.2465 -20.2318 -20.2318 -20.0981 -20.0981 -20.0829 -20.0829 -20.0277 -20.0277 -20.0137 -20.0137 5.2587 5.2587 7.4826 7.4826 10.1958 10.1958 10.2836 10.2836 10.4386 10.4386 12.3281 12.3281 12.3644 12.3644 12.4608 12.4608 12.7202 12.7202 13.0418 13.0418 13.1448 13.1448 13.1589 13.1589 13.2971 13.2971 13.3860 13.3860 k = 0.3491 0.5000 0.3491 ( 3190 PWs) bands (ev): -44.1457 -44.1457 -44.1429 -44.1429 -44.1315 -44.1315 -44.1296 -44.1296 -21.0063 -21.0063 -20.9224 -20.9224 -20.9068 -20.9068 -20.8789 -20.8789 -20.3404 -20.3404 -20.2966 -20.2966 -20.2466 -20.2466 -20.2302 -20.2302 -20.1019 -20.1019 -20.0853 -20.0853 -20.0302 -20.0302 -20.0148 -20.0148 5.2819 5.2819 7.4278 7.4278 10.2053 10.2053 10.2995 10.2995 10.4827 10.4827 12.2722 12.2722 12.3140 12.3140 12.4205 12.4205 12.6869 12.6869 13.0404 13.0404 13.1334 13.1334 13.1712 13.1712 13.2875 13.2875 13.4172 13.4172 k = 0.3396 0.5000 0.3396 ( 3190 PWs) bands (ev): -44.1464 -44.1464 -44.1437 -44.1437 -44.1307 -44.1307 -44.1289 -44.1289 -21.0029 -21.0029 -20.9217 -20.9217 -20.9038 -20.9038 -20.8760 -20.8760 -20.3413 -20.3413 -20.2973 -20.2973 -20.2466 -20.2466 -20.2284 -20.2284 -20.1059 -20.1059 -20.0878 -20.0878 -20.0327 -20.0327 -20.0159 -20.0159 5.3059 5.3059 7.3716 7.3716 10.2145 10.2145 10.3147 10.3147 10.5289 10.5289 12.2163 12.2163 12.2637 12.2637 12.3812 12.3812 12.6526 12.6526 13.0380 13.0380 13.1080 13.1080 13.1965 13.1965 13.2777 13.2777 13.4513 13.4513 k = 0.3302 0.5000 0.3302 ( 3190 PWs) bands (ev): -44.1472 -44.1472 -44.1446 -44.1446 -44.1299 -44.1299 -44.1281 -44.1281 -20.9995 -20.9995 -20.9211 -20.9211 -20.9007 -20.9007 -20.8729 -20.8729 -20.3422 -20.3422 -20.2981 -20.2981 -20.2465 -20.2465 -20.2265 -20.2265 -20.1101 -20.1101 -20.0905 -20.0905 -20.0352 -20.0352 -20.0170 -20.0170 5.3306 5.3306 7.3143 7.3143 10.2233 10.2233 10.3288 10.3288 10.5772 10.5772 12.1607 12.1607 12.2138 12.2138 12.3434 12.3434 12.6175 12.6175 13.0349 13.0349 13.0803 13.0803 13.2229 13.2229 13.2679 13.2679 13.4879 13.4879 k = 0.3208 0.5000 0.3208 ( 3194 PWs) bands (ev): -44.1479 -44.1479 -44.1455 -44.1455 -44.1291 -44.1291 -44.1273 -44.1273 -20.9962 -20.9962 -20.9205 -20.9205 -20.8975 -20.8975 -20.8697 -20.8697 -20.3433 -20.3433 -20.2990 -20.2990 -20.2463 -20.2463 -20.2245 -20.2245 -20.1143 -20.1143 -20.0935 -20.0935 -20.0375 -20.0375 -20.0181 -20.0181 5.3559 5.3559 7.2560 7.2560 10.2315 10.2315 10.3417 10.3417 10.6274 10.6274 12.1055 12.1055 12.1644 12.1644 12.3072 12.3072 12.5822 12.5822 13.0311 13.0311 13.0509 13.0509 13.2475 13.2475 13.2610 13.2610 13.5267 13.5267 k = 0.3113 0.5000 0.3113 ( 3192 PWs) bands (ev): -44.1487 -44.1487 -44.1464 -44.1464 -44.1283 -44.1283 -44.1265 -44.1265 -20.9928 -20.9928 -20.9201 -20.9201 -20.8941 -20.8941 -20.8664 -20.8664 -20.3444 -20.3444 -20.2999 -20.2999 -20.2458 -20.2458 -20.2223 -20.2223 -20.1187 -20.1187 -20.0966 -20.0966 -20.0398 -20.0398 -20.0192 -20.0192 5.3817 5.3817 7.1970 7.1970 10.2391 10.2391 10.3533 10.3533 10.6793 10.6793 12.0507 12.0507 12.1155 12.1155 12.2728 12.2728 12.5467 12.5467 13.0185 13.0185 13.0289 13.0289 13.2461 13.2461 13.2814 13.2814 13.5643 13.5643 k = 0.3019 0.5000 0.3019 ( 3184 PWs) bands (ev): -44.1496 -44.1496 -44.1473 -44.1473 -44.1274 -44.1274 -44.1257 -44.1257 -20.9895 -20.9895 -20.9197 -20.9197 -20.8907 -20.8907 -20.8630 -20.8630 -20.3455 -20.3455 -20.3008 -20.3008 -20.2451 -20.2451 -20.2200 -20.2200 -20.1231 -20.1231 -20.0999 -20.0999 -20.0420 -20.0420 -20.0204 -20.0204 5.4079 5.4079 7.1376 7.1376 10.2459 10.2459 10.3635 10.3635 10.7330 10.7330 11.9966 11.9966 12.0672 12.0672 12.2406 12.2406 12.5115 12.5115 12.9868 12.9868 13.0247 13.0247 13.2373 13.2373 13.3103 13.3103 13.5924 13.5924 k = 0.2925 0.5000 0.2925 ( 3180 PWs) bands (ev): -44.1504 -44.1504 -44.1483 -44.1483 -44.1265 -44.1265 -44.1249 -44.1249 -20.9863 -20.9863 -20.9194 -20.9194 -20.8871 -20.8871 -20.8595 -20.8595 -20.3467 -20.3467 -20.3019 -20.3019 -20.2442 -20.2442 -20.2176 -20.2176 -20.1275 -20.1275 -20.1033 -20.1033 -20.0441 -20.0441 -20.0215 -20.0215 5.4343 5.4343 7.0779 7.0779 10.2518 10.2518 10.3721 10.3721 10.7881 10.7881 11.9433 11.9433 12.0194 12.0194 12.2107 12.2107 12.4769 12.4769 12.9535 12.9535 13.0214 13.0214 13.2288 13.2288 13.3404 13.3404 13.6204 13.6204 k = 0.2830 0.5000 0.2830 ( 3180 PWs) bands (ev): -44.1513 -44.1513 -44.1493 -44.1493 -44.1256 -44.1256 -44.1240 -44.1240 -20.9832 -20.9832 -20.9193 -20.9193 -20.8835 -20.8835 -20.8561 -20.8561 -20.3480 -20.3480 -20.3029 -20.3029 -20.2431 -20.2431 -20.2152 -20.2152 -20.1320 -20.1320 -20.1070 -20.1070 -20.0461 -20.0461 -20.0226 -20.0226 5.4608 5.4608 7.0180 7.0180 10.2568 10.2568 10.3792 10.3792 10.8446 10.8446 11.8908 11.8908 11.9721 11.9721 12.1831 12.1831 12.4432 12.4432 12.9194 12.9194 13.0188 13.0188 13.2211 13.2211 13.3713 13.3713 13.6491 13.6491 k = 0.2736 0.5000 0.2736 ( 3188 PWs) bands (ev): -44.1521 -44.1521 -44.1503 -44.1503 -44.1246 -44.1246 -44.1231 -44.1231 -20.9802 -20.9802 -20.9193 -20.9193 -20.8798 -20.8798 -20.8526 -20.8526 -20.3493 -20.3493 -20.3041 -20.3041 -20.2419 -20.2419 -20.2126 -20.2126 -20.1366 -20.1366 -20.1108 -20.1108 -20.0480 -20.0480 -20.0237 -20.0237 5.4873 5.4873 6.9583 6.9583 10.2609 10.2609 10.3845 10.3845 10.9023 10.9023 11.8393 11.8393 11.9253 11.9253 12.1581 12.1581 12.4106 12.4106 12.8846 12.8846 13.0170 13.0170 13.2143 13.2143 13.4027 13.4027 13.6787 13.6787 k = 0.2642 0.5000 0.2642 ( 3192 PWs) bands (ev): -44.1530 -44.1530 -44.1513 -44.1513 -44.1237 -44.1237 -44.1223 -44.1223 -20.9774 -20.9774 -20.9194 -20.9194 -20.8760 -20.8760 -20.8491 -20.8491 -20.3507 -20.3507 -20.3053 -20.3053 -20.2404 -20.2404 -20.2100 -20.2100 -20.1411 -20.1411 -20.1147 -20.1147 -20.0498 -20.0498 -20.0249 -20.0249 5.5137 5.5137 6.8989 6.8989 10.2641 10.2641 10.3882 10.3882 10.9610 10.9610 11.7889 11.7889 11.8789 11.8789 12.1356 12.1356 12.3793 12.3793 12.8493 12.8493 13.0162 13.0162 13.2086 13.2086 13.4346 13.4346 13.7089 13.7089 k = 0.2547 0.5000 0.2547 ( 3192 PWs) bands (ev): -44.1539 -44.1539 -44.1523 -44.1523 -44.1228 -44.1228 -44.1214 -44.1214 -20.9747 -20.9747 -20.9196 -20.9196 -20.8721 -20.8721 -20.8456 -20.8456 -20.3520 -20.3520 -20.3066 -20.3066 -20.2386 -20.2386 -20.2073 -20.2073 -20.1456 -20.1456 -20.1187 -20.1187 -20.0515 -20.0515 -20.0260 -20.0260 5.5398 5.5398 6.8399 6.8399 10.2663 10.2663 10.3903 10.3903 11.0206 11.0206 11.7397 11.7397 11.8330 11.8330 12.1156 12.1156 12.3497 12.3497 12.8139 12.8139 13.0166 13.0166 13.2042 13.2042 13.4668 13.4668 13.7398 13.7398 k = 0.2453 0.5000 0.2453 ( 3200 PWs) bands (ev): -44.1548 -44.1548 -44.1533 -44.1533 -44.1218 -44.1218 -44.1205 -44.1205 -20.9721 -20.9721 -20.9200 -20.9200 -20.8683 -20.8683 -20.8422 -20.8422 -20.3532 -20.3532 -20.3078 -20.3078 -20.2368 -20.2368 -20.2047 -20.2047 -20.1501 -20.1501 -20.1228 -20.1228 -20.0531 -20.0531 -20.0272 -20.0272 5.5655 5.5655 6.7816 6.7816 10.2677 10.2677 10.3908 10.3908 11.0808 11.0808 11.6916 11.6916 11.7874 11.7874 12.0980 12.0980 12.3217 12.3217 12.7783 12.7783 13.0185 13.0185 13.2013 13.2013 13.4993 13.4993 13.7713 13.7713 k = 0.2358 0.5000 0.2358 ( 3200 PWs) bands (ev): -44.1557 -44.1557 -44.1543 -44.1543 -44.1208 -44.1208 -44.1196 -44.1196 -20.9697 -20.9697 -20.9204 -20.9204 -20.8643 -20.8643 -20.8388 -20.8388 -20.3544 -20.3544 -20.3091 -20.3091 -20.2347 -20.2347 -20.2020 -20.2020 -20.1545 -20.1545 -20.1270 -20.1270 -20.0546 -20.0546 -20.0283 -20.0283 5.5908 5.5908 6.7241 6.7241 10.2682 10.2682 10.3897 10.3897 11.1417 11.1417 11.6449 11.6449 11.7423 11.7423 12.0828 12.0828 12.2956 12.2956 12.7429 12.7429 13.0219 13.0219 13.2000 13.2000 13.5319 13.5319 13.8031 13.8031 k = 0.2264 0.5000 0.2264 ( 3196 PWs) bands (ev): -44.1566 -44.1566 -44.1553 -44.1553 -44.1199 -44.1199 -44.1187 -44.1187 -20.9674 -20.9674 -20.9209 -20.9209 -20.8604 -20.8604 -20.8354 -20.8354 -20.3554 -20.3554 -20.3104 -20.3104 -20.2325 -20.2325 -20.1994 -20.1994 -20.1587 -20.1587 -20.1311 -20.1311 -20.0559 -20.0559 -20.0294 -20.0294 5.6154 5.6154 6.6675 6.6675 10.2681 10.2681 10.3873 10.3873 11.2028 11.2028 11.5996 11.5996 11.6975 11.6975 12.0699 12.0699 12.2712 12.2712 12.7076 12.7076 13.0270 13.0270 13.2003 13.2003 13.5646 13.5646 13.8354 13.8354 k = 0.2170 0.5000 0.2170 ( 3188 PWs) bands (ev): -44.1575 -44.1575 -44.1563 -44.1563 -44.1189 -44.1189 -44.1178 -44.1178 -20.9652 -20.9652 -20.9215 -20.9215 -20.8565 -20.8565 -20.8322 -20.8322 -20.3564 -20.3564 -20.3116 -20.3116 -20.2301 -20.2301 -20.1969 -20.1969 -20.1628 -20.1628 -20.1353 -20.1353 -20.0572 -20.0572 -20.0305 -20.0305 5.6394 5.6394 6.6121 6.6121 10.2673 10.2673 10.3836 10.3836 11.2642 11.2642 11.5557 11.5557 11.6533 11.6533 12.0591 12.0591 12.2488 12.2488 12.6728 12.6728 13.0339 13.0339 13.2023 13.2023 13.5972 13.5972 13.8678 13.8678 k = 0.2075 0.5000 0.2075 ( 3190 PWs) bands (ev): -44.1584 -44.1584 -44.1572 -44.1572 -44.1180 -44.1180 -44.1170 -44.1170 -20.9633 -20.9633 -20.9223 -20.9223 -20.8526 -20.8526 -20.8290 -20.8290 -20.3573 -20.3573 -20.3129 -20.3129 -20.2276 -20.2276 -20.1945 -20.1945 -20.1666 -20.1666 -20.1395 -20.1395 -20.0583 -20.0583 -20.0315 -20.0315 5.6626 5.6626 6.5580 6.5580 10.2660 10.2660 10.3787 10.3787 11.3255 11.3255 11.5133 11.5133 11.6096 11.6096 12.0502 12.0502 12.2280 12.2280 12.6386 12.6386 13.0427 13.0427 13.2061 13.2061 13.6297 13.6297 13.9005 13.9005 k = 0.1981 0.5000 0.1981 ( 3194 PWs) bands (ev): -44.1593 -44.1593 -44.1582 -44.1582 -44.1171 -44.1171 -44.1161 -44.1161 -20.9616 -20.9616 -20.9233 -20.9233 -20.8487 -20.8487 -20.8260 -20.8260 -20.3581 -20.3581 -20.3142 -20.3142 -20.2250 -20.2250 -20.1925 -20.1925 -20.1702 -20.1702 -20.1436 -20.1436 -20.0593 -20.0593 -20.0326 -20.0326 5.6849 5.6849 6.5052 6.5052 10.2644 10.2644 10.3728 10.3728 11.3865 11.3865 11.4725 11.4725 11.5665 11.5665 12.0431 12.0431 12.2090 12.2090 12.6050 12.6050 13.0535 13.0535 13.2118 13.2118 13.6618 13.6618 13.9332 13.9332 k = 0.1887 0.5000 0.1887 ( 3190 PWs) bands (ev): -44.1601 -44.1601 -44.1591 -44.1591 -44.1162 -44.1162 -44.1153 -44.1153 -20.9599 -20.9599 -20.9242 -20.9242 -20.8450 -20.8450 -20.8231 -20.8231 -20.3586 -20.3586 -20.3153 -20.3153 -20.2224 -20.2224 -20.1910 -20.1910 -20.1732 -20.1732 -20.1476 -20.1476 -20.0602 -20.0602 -20.0336 -20.0336 5.7063 5.7063 6.4540 6.4540 10.2625 10.2625 10.3661 10.3661 11.4326 11.4326 11.4478 11.4478 11.5241 11.5241 12.0375 12.0375 12.1915 12.1915 12.5722 12.5722 13.0663 13.0663 13.2193 13.2193 13.6935 13.6935 13.9659 13.9659 k = 0.1792 0.5000 0.1792 ( 3190 PWs) bands (ev): -44.1609 -44.1609 -44.1601 -44.1601 -44.1153 -44.1153 -44.1145 -44.1145 -20.9584 -20.9584 -20.9253 -20.9253 -20.8412 -20.8412 -20.8203 -20.8203 -20.3591 -20.3591 -20.3165 -20.3165 -20.2198 -20.2198 -20.1902 -20.1902 -20.1754 -20.1754 -20.1515 -20.1515 -20.0610 -20.0610 -20.0347 -20.0347 5.7267 5.7267 6.4045 6.4045 10.2604 10.2604 10.3588 10.3588 11.3954 11.3954 11.4826 11.4826 11.5075 11.5075 12.0333 12.0333 12.1755 12.1755 12.5402 12.5402 13.0813 13.0813 13.2287 13.2287 13.7247 13.7247 13.9984 13.9984 k = 0.1698 0.5000 0.1698 ( 3190 PWs) bands (ev): -44.1618 -44.1618 -44.1609 -44.1609 -44.1144 -44.1144 -44.1137 -44.1137 -20.9571 -20.9571 -20.9264 -20.9264 -20.8376 -20.8376 -20.8176 -20.8176 -20.3594 -20.3594 -20.3177 -20.3177 -20.2173 -20.2173 -20.1905 -20.1905 -20.1767 -20.1767 -20.1552 -20.1552 -20.0617 -20.0617 -20.0357 -20.0357 5.7461 5.7461 6.3567 6.3567 10.2584 10.2584 10.3509 10.3509 11.3595 11.3595 11.4422 11.4422 11.5667 11.5667 12.0303 12.0303 12.1609 12.1609 12.5094 12.5094 13.0982 13.0982 13.2398 13.2398 13.7551 13.7551 14.0307 14.0307 k = 0.1604 0.5000 0.1604 ( 3190 PWs) bands (ev): -44.1625 -44.1625 -44.1618 -44.1618 -44.1136 -44.1136 -44.1129 -44.1129 -20.9559 -20.9559 -20.9276 -20.9276 -20.8341 -20.8341 -20.8151 -20.8151 -20.3595 -20.3595 -20.3188 -20.3188 -20.2149 -20.2149 -20.1916 -20.1916 -20.1772 -20.1772 -20.1584 -20.1584 -20.0622 -20.0622 -20.0367 -20.0367 5.7644 5.7644 6.3109 6.3109 10.2564 10.2564 10.3427 10.3427 11.3253 11.3253 11.4029 11.4029 11.6249 11.6249 12.0284 12.0284 12.1475 12.1475 12.4796 12.4796 13.1172 13.1172 13.2526 13.2526 13.7848 13.7848 14.0625 14.0625 k = 0.1509 0.5000 0.1509 ( 3192 PWs) bands (ev): -44.1633 -44.1633 -44.1626 -44.1626 -44.1128 -44.1128 -44.1122 -44.1122 -20.9548 -20.9548 -20.9289 -20.9289 -20.8307 -20.8307 -20.8127 -20.8127 -20.3595 -20.3595 -20.3199 -20.3199 -20.2130 -20.2130 -20.1929 -20.1929 -20.1776 -20.1776 -20.1610 -20.1610 -20.0626 -20.0626 -20.0377 -20.0377 5.7815 5.7815 6.2671 6.2671 10.2546 10.2546 10.3342 10.3342 11.2929 11.2929 11.3648 11.3648 11.6819 11.6819 12.0273 12.0273 12.1351 12.1351 12.4510 12.4510 13.1380 13.1380 13.2670 13.2670 13.8135 13.8135 14.0939 14.0939 k = 0.1415 0.5000 0.1415 ( 3196 PWs) bands (ev): -44.1640 -44.1640 -44.1634 -44.1634 -44.1120 -44.1120 -44.1115 -44.1115 -20.9539 -20.9539 -20.9302 -20.9302 -20.8274 -20.8274 -20.8105 -20.8105 -20.3593 -20.3593 -20.3210 -20.3210 -20.2117 -20.2117 -20.1939 -20.1939 -20.1787 -20.1787 -20.1627 -20.1627 -20.0629 -20.0629 -20.0387 -20.0387 5.7975 5.7975 6.2254 6.2254 10.2529 10.2529 10.3258 10.3258 11.2622 11.2622 11.3282 11.3282 11.7373 11.7373 12.0270 12.0270 12.1238 12.1238 12.4238 12.4238 13.1607 13.1607 13.2828 13.2828 13.8411 13.8411 14.1246 14.1246 k = 0.1321 0.5000 0.1321 ( 3200 PWs) bands (ev): -44.1647 -44.1647 -44.1642 -44.1642 -44.1113 -44.1113 -44.1108 -44.1108 -20.9530 -20.9530 -20.9314 -20.9314 -20.8244 -20.8244 -20.8086 -20.8086 -20.3588 -20.3588 -20.3220 -20.3220 -20.2114 -20.2114 -20.1941 -20.1941 -20.1805 -20.1805 -20.1633 -20.1633 -20.0631 -20.0631 -20.0398 -20.0398 5.8123 5.8123 6.1859 6.1859 10.2515 10.2515 10.3173 10.3173 11.2334 11.2334 11.2932 11.2932 11.7910 11.7910 12.0273 12.0273 12.1135 12.1135 12.3979 12.3979 13.1851 13.1851 13.3000 13.3000 13.8674 13.8674 14.1545 14.1545 k = 0.1226 0.5000 0.1226 ( 3208 PWs) bands (ev): -44.1654 -44.1654 -44.1649 -44.1649 -44.1106 -44.1106 -44.1102 -44.1102 -20.9522 -20.9522 -20.9328 -20.9328 -20.8214 -20.8214 -20.8067 -20.8067 -20.3583 -20.3583 -20.3230 -20.3230 -20.2119 -20.2119 -20.1934 -20.1934 -20.1830 -20.1830 -20.1633 -20.1633 -20.0631 -20.0631 -20.0408 -20.0408 5.8260 5.8260 6.1487 6.1487 10.2504 10.2504 10.3091 10.3091 11.2065 11.2065 11.2600 11.2600 11.8427 11.8427 12.0281 12.0281 12.1040 12.1040 12.3735 12.3735 13.2109 13.2109 13.3182 13.3182 13.8924 13.8924 14.1834 14.1834 k = 0.1132 0.5000 0.1132 ( 3204 PWs) bands (ev): -44.1660 -44.1660 -44.1656 -44.1656 -44.1099 -44.1099 -44.1096 -44.1096 -20.9516 -20.9516 -20.9341 -20.9341 -20.8186 -20.8186 -20.8049 -20.8049 -20.3576 -20.3576 -20.3241 -20.3241 -20.2130 -20.2130 -20.1921 -20.1921 -20.1855 -20.1855 -20.1628 -20.1628 -20.0629 -20.0629 -20.0417 -20.0417 5.8386 5.8386 6.1140 6.1140 10.2495 10.2495 10.3012 10.3012 11.1814 11.1814 11.2285 11.2285 11.8922 11.8922 12.0293 12.0293 12.0953 12.0953 12.3506 12.3506 13.2381 13.2381 13.3374 13.3374 13.9158 13.9158 14.2112 14.2112 k = 0.1038 0.5000 0.1038 ( 3200 PWs) bands (ev): -44.1666 -44.1666 -44.1662 -44.1662 -44.1093 -44.1093 -44.1090 -44.1090 -20.9510 -20.9510 -20.9354 -20.9354 -20.8159 -20.8159 -20.8034 -20.8034 -20.3567 -20.3567 -20.3251 -20.3251 -20.2145 -20.2145 -20.1917 -20.1917 -20.1870 -20.1870 -20.1622 -20.1622 -20.0626 -20.0626 -20.0426 -20.0426 5.8500 5.8500 6.0817 6.0817 10.2489 10.2489 10.2936 10.2936 11.1583 11.1583 11.1991 11.1991 11.9391 11.9391 12.0308 12.0308 12.0873 12.0873 12.3293 12.3293 13.2663 13.2663 13.3571 13.3571 13.9376 13.9376 14.2376 14.2376 k = 0.0943 0.5000 0.0943 ( 3204 PWs) bands (ev): -44.1671 -44.1671 -44.1668 -44.1668 -44.1088 -44.1088 -44.1085 -44.1085 -20.9505 -20.9505 -20.9368 -20.9368 -20.8134 -20.8134 -20.8020 -20.8020 -20.3557 -20.3557 -20.3262 -20.3262 -20.2160 -20.2160 -20.1938 -20.1938 -20.1860 -20.1860 -20.1616 -20.1616 -20.0622 -20.0622 -20.0436 -20.0436 5.8603 5.8603 6.0520 6.0520 10.2486 10.2486 10.2866 10.2866 11.1371 11.1371 11.1717 11.1717 11.9832 11.9832 12.0325 12.0325 12.0801 12.0801 12.3097 12.3097 13.2953 13.2953 13.3772 13.3772 13.9576 13.9576 14.2610 14.2610 k = 0.0849 0.5000 0.0849 ( 3196 PWs) bands (ev): -44.1676 -44.1676 -44.1674 -44.1674 -44.1082 -44.1082 -44.1080 -44.1080 -20.9500 -20.9500 -20.9379 -20.9379 -20.8111 -20.8111 -20.8008 -20.8008 -20.3544 -20.3544 -20.3272 -20.3272 -20.2174 -20.2174 -20.1966 -20.1966 -20.1839 -20.1839 -20.1611 -20.1611 -20.0617 -20.0617 -20.0446 -20.0446 5.8695 5.8695 6.0249 6.0249 10.2485 10.2485 10.2800 10.2800 11.1178 11.1178 11.1466 11.1466 12.0243 12.0243 12.0343 12.0343 12.0737 12.0737 12.2918 12.2918 13.3247 13.3247 13.3972 13.3972 13.9757 13.9757 14.2512 14.2512 k = 0.0755 0.5000 0.0755 ( 3196 PWs) bands (ev): -44.1680 -44.1680 -44.1678 -44.1678 -44.1077 -44.1077 -44.1076 -44.1076 -20.9496 -20.9496 -20.9391 -20.9391 -20.8089 -20.8089 -20.7998 -20.7998 -20.3531 -20.3531 -20.3283 -20.3283 -20.2187 -20.2187 -20.1996 -20.1996 -20.1816 -20.1816 -20.1608 -20.1608 -20.0611 -20.0611 -20.0455 -20.0455 5.8776 5.8776 6.0005 6.0005 10.2485 10.2485 10.2740 10.2740 11.1006 11.1006 11.1238 11.1238 12.0362 12.0362 12.0609 12.0609 12.0689 12.0689 12.2756 12.2756 13.3542 13.3542 13.4169 13.4169 13.9919 13.9919 14.2217 14.2217 k = 0.0660 0.5000 0.0660 ( 3200 PWs) bands (ev): -44.1684 -44.1684 -44.1683 -44.1683 -44.1073 -44.1073 -44.1072 -44.1072 -20.9491 -20.9491 -20.9402 -20.9402 -20.8070 -20.8070 -20.7990 -20.7990 -20.3516 -20.3516 -20.3295 -20.3295 -20.2197 -20.2197 -20.2026 -20.2026 -20.1793 -20.1793 -20.1607 -20.1607 -20.0604 -20.0604 -20.0466 -20.0466 5.8847 5.8847 5.9788 5.9788 10.2487 10.2487 10.2687 10.2687 11.0853 11.0853 11.1035 11.1035 12.0381 12.0381 12.0623 12.0623 12.0965 12.0965 12.2613 12.2613 13.3833 13.3833 13.4359 13.4359 14.0061 14.0061 14.1908 14.1908 k = 0.0566 0.5000 0.0566 ( 3200 PWs) bands (ev): -44.1688 -44.1688 -44.1687 -44.1687 -44.1070 -44.1070 -44.1069 -44.1069 -20.9488 -20.9488 -20.9413 -20.9413 -20.8052 -20.8052 -20.7984 -20.7984 -20.3501 -20.3501 -20.3308 -20.3308 -20.2205 -20.2205 -20.2055 -20.2055 -20.1770 -20.1770 -20.1608 -20.1608 -20.0596 -20.0596 -20.0476 -20.0476 5.8907 5.8907 5.9599 5.9599 10.2490 10.2490 10.2640 10.2640 11.0720 11.0720 11.0856 11.0856 12.0398 12.0398 12.0579 12.0579 12.1266 12.1266 12.2488 12.2488 13.4113 13.4113 13.4537 13.4537 14.0182 14.0182 14.1602 14.1602 k = 0.0472 0.5000 0.0472 ( 3204 PWs) bands (ev): -44.1690 -44.1690 -44.1690 -44.1690 -44.1067 -44.1067 -44.1066 -44.1066 -20.9484 -20.9484 -20.9423 -20.9423 -20.8036 -20.8036 -20.7979 -20.7979 -20.3486 -20.3486 -20.3322 -20.3322 -20.2209 -20.2209 -20.2082 -20.2082 -20.1747 -20.1747 -20.1611 -20.1611 -20.0588 -20.0588 -20.0486 -20.0486 5.8958 5.8958 5.9439 5.9439 10.2494 10.2494 10.2600 10.2600 11.0608 11.0608 11.0704 11.0704 12.0414 12.0414 12.0542 12.0542 12.1527 12.1527 12.2381 12.2381 13.4377 13.4377 13.4698 13.4698 14.0284 14.0284 14.1312 14.1312 k = 0.0377 0.5000 0.0377 ( 3204 PWs) bands (ev): -44.1693 -44.1693 -44.1692 -44.1692 -44.1064 -44.1064 -44.1064 -44.1064 -20.9480 -20.9480 -20.9432 -20.9432 -20.8022 -20.8022 -20.7976 -20.7976 -20.3469 -20.3469 -20.3336 -20.3336 -20.2210 -20.2210 -20.2107 -20.2107 -20.1726 -20.1726 -20.1616 -20.1616 -20.0578 -20.0578 -20.0496 -20.0496 5.8999 5.8999 5.9307 5.9307 10.2497 10.2497 10.2567 10.2567 11.0516 11.0516 11.0578 11.0578 12.0428 12.0428 12.0511 12.0511 12.1743 12.1743 12.2294 12.2294 13.4616 13.4616 13.4839 13.4839 14.0365 14.0365 14.1050 14.1050 k = 0.0283 0.5000 0.0283 ( 3202 PWs) bands (ev): -44.1695 -44.1695 -44.1694 -44.1694 -44.1062 -44.1062 -44.1062 -44.1062 -20.9476 -20.9476 -20.9441 -20.9441 -20.8009 -20.8009 -20.7975 -20.7975 -20.3452 -20.3452 -20.3352 -20.3352 -20.2208 -20.2208 -20.2129 -20.2129 -20.1706 -20.1706 -20.1623 -20.1623 -20.0568 -20.0568 -20.0506 -20.0506 5.9031 5.9031 5.9204 5.9204 10.2501 10.2501 10.2542 10.2542 11.0444 11.0444 11.0479 11.0479 12.0440 12.0440 12.0486 12.0486 12.1914 12.1914 12.2226 12.2226 13.4818 13.4818 13.4954 13.4954 14.0428 14.0428 14.0827 14.0827 k = 0.0189 0.5000 0.0189 ( 3202 PWs) bands (ev): -44.1696 -44.1696 -44.1696 -44.1696 -44.1061 -44.1061 -44.1060 -44.1060 -20.9472 -20.9472 -20.9448 -20.9448 -20.7999 -20.7999 -20.7976 -20.7976 -20.3435 -20.3435 -20.3368 -20.3368 -20.2203 -20.2203 -20.2150 -20.2150 -20.1688 -20.1688 -20.1632 -20.1632 -20.0558 -20.0558 -20.0517 -20.0517 5.9054 5.9054 5.9131 5.9131 10.2503 10.2503 10.2523 10.2523 11.0393 11.0393 11.0409 11.0409 12.0448 12.0448 12.0469 12.0469 12.2038 12.2038 12.2177 12.2177 13.4975 13.4975 13.5040 13.5040 14.0472 14.0472 14.0656 14.0656 k = 0.0094 0.5000 0.0094 ( 3206 PWs) bands (ev): -44.1697 -44.1697 -44.1697 -44.1697 -44.1060 -44.1060 -44.1060 -44.1060 -20.9467 -20.9467 -20.9455 -20.9455 -20.7990 -20.7990 -20.7979 -20.7979 -20.3418 -20.3418 -20.3384 -20.3384 -20.2194 -20.2194 -20.2168 -20.2168 -20.1671 -20.1671 -20.1643 -20.1643 -20.0548 -20.0548 -20.0527 -20.0527 5.9067 5.9067 5.9086 5.9086 10.2505 10.2505 10.2512 10.2512 11.0362 11.0362 11.0366 11.0366 12.0453 12.0453 12.0459 12.0459 12.2112 12.2112 12.2147 12.2147 13.5074 13.5074 13.5093 13.5093 14.0498 14.0498 14.0548 14.0548 k = 0.0000 0.5000-0.0000 ( 3218 PWs) bands (ev): -44.1697 -44.1697 -44.1697 -44.1697 -44.1060 -44.1060 -44.1060 -44.1060 -20.9463 -20.9463 -20.9463 -20.9463 -20.7984 -20.7984 -20.7984 -20.7984 -20.3402 -20.3402 -20.3402 -20.3402 -20.2183 -20.2183 -20.2183 -20.2183 -20.1657 -20.1657 -20.1657 -20.1657 -20.0538 -20.0538 -20.0538 -20.0538 5.9072 5.9072 5.9072 5.9072 10.2507 10.2507 10.2507 10.2507 11.0352 11.0352 11.0352 11.0352 12.0455 12.0455 12.0455 12.0455 12.2137 12.2137 12.2137 12.2137 13.5109 13.5109 13.5109 13.5109 14.0509 14.0509 14.0509 14.0509 k = 0.5000 0.5000-0.0000 ( 3168 PWs) bands (ev): -44.1391 -44.1391 -44.1391 -44.1391 -44.1361 -44.1361 -44.1361 -44.1361 -20.9153 -20.9153 -20.9153 -20.9153 -20.8645 -20.8645 -20.8645 -20.8645 -20.3246 -20.3246 -20.3246 -20.3246 -20.2399 -20.2399 -20.2399 -20.2399 -20.1277 -20.1277 -20.1277 -20.1277 -20.0595 -20.0595 -20.0595 -20.0595 6.2124 6.2124 6.2124 6.2124 10.3914 10.3914 10.3914 10.3914 11.6160 11.6160 11.6160 11.6160 12.2109 12.2109 12.2109 12.2109 12.3531 12.3531 12.3531 12.3531 12.5458 12.5458 12.5458 12.5458 14.0376 14.0376 14.0376 14.0376 k = 0.5000 0.5000 0.0132 ( 3184 PWs) bands (ev): -44.1392 -44.1392 -44.1390 -44.1390 -44.1361 -44.1361 -44.1361 -44.1361 -20.9180 -20.9180 -20.9131 -20.9131 -20.8654 -20.8654 -20.8639 -20.8639 -20.3260 -20.3260 -20.3234 -20.3234 -20.2402 -20.2402 -20.2398 -20.2398 -20.1278 -20.1278 -20.1275 -20.1275 -20.0594 -20.0594 -20.0594 -20.0594 6.1592 6.1592 6.2662 6.2662 10.3909 10.3909 10.3910 10.3910 11.5761 11.5761 11.6540 11.6540 12.2096 12.2096 12.2101 12.2101 12.3395 12.3395 12.3706 12.3706 12.5483 12.5483 12.5490 12.5490 14.0317 14.0317 14.0321 14.0321 k = 0.5000 0.5000 0.0263 ( 3192 PWs) bands (ev): -44.1394 -44.1394 -44.1389 -44.1389 -44.1361 -44.1361 -44.1361 -44.1361 -20.9209 -20.9209 -20.9111 -20.9111 -20.8665 -20.8665 -20.8634 -20.8634 -20.3272 -20.3272 -20.3221 -20.3221 -20.2404 -20.2404 -20.2397 -20.2397 -20.1277 -20.1277 -20.1271 -20.1271 -20.0592 -20.0592 -20.0591 -20.0591 6.1068 6.1068 6.3208 6.3208 10.3897 10.3897 10.3897 10.3897 11.5344 11.5344 11.6901 11.6901 12.2066 12.2066 12.2075 12.2075 12.3298 12.3298 12.3919 12.3919 12.5566 12.5566 12.5578 12.5578 14.0152 14.0152 14.0160 14.0160 k = 0.5000 0.5000 0.0395 ( 3192 PWs) bands (ev): -44.1395 -44.1395 -44.1387 -44.1387 -44.1361 -44.1361 -44.1361 -44.1361 -20.9240 -20.9240 -20.9093 -20.9093 -20.8677 -20.8677 -20.8631 -20.8631 -20.3284 -20.3284 -20.3207 -20.3207 -20.2406 -20.2406 -20.2396 -20.2396 -20.1273 -20.1273 -20.1265 -20.1265 -20.0587 -20.0587 -20.0586 -20.0586 6.0554 6.0554 6.3760 6.3760 10.3876 10.3876 10.3877 10.3877 11.4909 11.4909 11.7247 11.7247 12.2023 12.2023 12.2035 12.2035 12.3239 12.3239 12.4167 12.4167 12.5700 12.5700 12.5718 12.5718 13.9903 13.9903 13.9914 13.9914 k = 0.5000 0.5000 0.0526 ( 3192 PWs) bands (ev): -44.1396 -44.1396 -44.1386 -44.1386 -44.1361 -44.1361 -44.1361 -44.1361 -20.9273 -20.9273 -20.9078 -20.9078 -20.8691 -20.8691 -20.8630 -20.8630 -20.3294 -20.3294 -20.3192 -20.3192 -20.2408 -20.2408 -20.2395 -20.2395 -20.1267 -20.1267 -20.1256 -20.1256 -20.0580 -20.0580 -20.0579 -20.0579 6.0048 6.0048 6.4318 6.4318 10.3848 10.3848 10.3848 10.3848 11.4457 11.4457 11.7577 11.7577 12.1974 12.1974 12.1988 12.1988 12.3218 12.3218 12.4448 12.4448 12.5878 12.5878 12.5901 12.5901 13.9592 13.9592 13.9607 13.9607 k = 0.5000 0.5000 0.0658 ( 3184 PWs) bands (ev): -44.1397 -44.1397 -44.1385 -44.1385 -44.1361 -44.1361 -44.1361 -44.1361 -20.9308 -20.9308 -20.9065 -20.9065 -20.8706 -20.8706 -20.8630 -20.8630 -20.3304 -20.3304 -20.3177 -20.3177 -20.2409 -20.2409 -20.2394 -20.2394 -20.1258 -20.1258 -20.1245 -20.1245 -20.0571 -20.0571 -20.0569 -20.0569 5.9551 5.9551 6.4882 6.4882 10.3811 10.3811 10.3811 10.3811 11.3990 11.3990 11.7896 11.7896 12.1925 12.1925 12.1942 12.1942 12.3232 12.3232 12.4758 12.4758 12.6093 12.6093 12.6121 12.6121 13.9240 13.9240 13.9259 13.9259 k = 0.5000 0.5000 0.0789 ( 3192 PWs) bands (ev): -44.1398 -44.1398 -44.1384 -44.1384 -44.1361 -44.1361 -44.1361 -44.1361 -20.9346 -20.9346 -20.9056 -20.9056 -20.8723 -20.8723 -20.8632 -20.8632 -20.3313 -20.3313 -20.3163 -20.3163 -20.2412 -20.2412 -20.2394 -20.2394 -20.1248 -20.1248 -20.1233 -20.1233 -20.0561 -20.0561 -20.0559 -20.0559 5.9064 5.9064 6.5450 6.5450 10.3765 10.3765 10.3766 10.3766 11.3510 11.3510 11.8207 11.8207 12.1885 12.1885 12.1903 12.1903 12.3280 12.3280 12.5094 12.5094 12.6337 12.6337 12.6370 12.6370 13.8862 13.8862 13.8884 13.8884 k = 0.5000 0.5000 0.0921 ( 3192 PWs) bands (ev): -44.1399 -44.1399 -44.1382 -44.1382 -44.1361 -44.1361 -44.1361 -44.1361 -20.9385 -20.9385 -20.9050 -20.9050 -20.8742 -20.8742 -20.8636 -20.8636 -20.3322 -20.3322 -20.3148 -20.3148 -20.2413 -20.2413 -20.2393 -20.2393 -20.1236 -20.1236 -20.1219 -20.1219 -20.0549 -20.0549 -20.0546 -20.0546 5.8588 5.8588 6.6022 6.6022 10.3712 10.3712 10.3713 10.3713 11.3018 11.3018 11.8512 11.8512 12.1857 12.1857 12.1876 12.1876 12.3359 12.3359 12.5450 12.5450 12.6605 12.6605 12.6641 12.6641 13.8469 13.8469 13.8495 13.8495 k = 0.5000 0.5000 0.1053 ( 3196 PWs) bands (ev): -44.1400 -44.1400 -44.1381 -44.1381 -44.1361 -44.1361 -44.1361 -44.1361 -20.9426 -20.9426 -20.9046 -20.9046 -20.8762 -20.8762 -20.8642 -20.8642 -20.3329 -20.3329 -20.3134 -20.3134 -20.2415 -20.2415 -20.2393 -20.2393 -20.1222 -20.1222 -20.1204 -20.1204 -20.0535 -20.0535 -20.0532 -20.0532 5.8122 5.8122 6.6598 6.6598 10.3649 10.3649 10.3651 10.3651 11.2518 11.2518 11.8814 11.8814 12.1846 12.1846 12.1867 12.1867 12.3467 12.3467 12.5824 12.5824 12.6890 12.6890 12.6930 12.6930 13.8068 13.8068 13.8098 13.8098 k = 0.5000 0.5000 0.1184 ( 3196 PWs) bands (ev): -44.1401 -44.1401 -44.1380 -44.1380 -44.1361 -44.1361 -44.1361 -44.1361 -20.9468 -20.9468 -20.9044 -20.9044 -20.8783 -20.8783 -20.8650 -20.8650 -20.3336 -20.3336 -20.3119 -20.3119 -20.2417 -20.2417 -20.2394 -20.2394 -20.1206 -20.1206 -20.1187 -20.1187 -20.0520 -20.0520 -20.0517 -20.0517 5.7667 5.7667 6.7176 6.7176 10.3579 10.3579 10.3580 10.3580 11.2010 11.2010 11.9118 11.9118 12.1857 12.1857 12.1878 12.1878 12.3602 12.3602 12.6211 12.6211 12.7187 12.7187 12.7232 12.7232 13.7665 13.7665 13.7700 13.7700 k = 0.5000 0.5000 0.1316 ( 3200 PWs) bands (ev): -44.1403 -44.1403 -44.1379 -44.1379 -44.1361 -44.1361 -44.1361 -44.1361 -20.9512 -20.9512 -20.9045 -20.9045 -20.8805 -20.8805 -20.8659 -20.8659 -20.3342 -20.3342 -20.3105 -20.3105 -20.2418 -20.2418 -20.2394 -20.2394 -20.1188 -20.1188 -20.1169 -20.1169 -20.0503 -20.0503 -20.0500 -20.0500 5.7224 5.7224 6.7757 6.7757 10.3501 10.3501 10.3502 10.3502 11.1497 11.1497 11.9425 11.9425 12.1891 12.1891 12.1913 12.1913 12.3761 12.3761 12.6606 12.6606 12.7493 12.7493 12.7542 12.7542 13.7265 13.7265 13.7304 13.7304 k = 0.5000 0.5000 0.1447 ( 3192 PWs) bands (ev): -44.1404 -44.1404 -44.1377 -44.1377 -44.1361 -44.1361 -44.1361 -44.1361 -20.9556 -20.9556 -20.9047 -20.9047 -20.8828 -20.8828 -20.8669 -20.8669 -20.3347 -20.3347 -20.3091 -20.3091 -20.2419 -20.2419 -20.2395 -20.2395 -20.1168 -20.1168 -20.1149 -20.1149 -20.0484 -20.0484 -20.0481 -20.0481 5.6792 5.6792 6.8339 6.8339 10.3416 10.3416 10.3417 10.3417 11.0980 11.0980 11.9737 11.9737 12.1951 12.1951 12.1973 12.1973 12.3943 12.3943 12.7007 12.7007 12.7802 12.7802 12.7856 12.7856 13.6870 13.6870 13.6915 13.6915 k = 0.5000 0.5000 0.1579 ( 3200 PWs) bands (ev): -44.1405 -44.1405 -44.1376 -44.1376 -44.1361 -44.1361 -44.1361 -44.1361 -20.9601 -20.9601 -20.9052 -20.9052 -20.8853 -20.8853 -20.8681 -20.8681 -20.3352 -20.3352 -20.3077 -20.3077 -20.2421 -20.2421 -20.2396 -20.2396 -20.1148 -20.1148 -20.1129 -20.1129 -20.0465 -20.0465 -20.0462 -20.0462 5.6373 5.6373 6.8921 6.8921 10.3323 10.3323 10.3324 10.3324 11.0461 11.0461 12.0057 12.0057 12.2038 12.2038 12.2060 12.2060 12.4144 12.4144 12.7409 12.7409 12.8113 12.8113 12.8172 12.8172 13.6484 13.6484 13.6535 13.6535 k = 0.5000 0.5000 0.1711 ( 3200 PWs) bands (ev): -44.1405 -44.1405 -44.1375 -44.1375 -44.1361 -44.1361 -44.1361 -44.1361 -20.9646 -20.9646 -20.9059 -20.9059 -20.8877 -20.8877 -20.8694 -20.8694 -20.3356 -20.3356 -20.3064 -20.3064 -20.2422 -20.2422 -20.2397 -20.2397 -20.1126 -20.1126 -20.1108 -20.1108 -20.0445 -20.0445 -20.0442 -20.0442 5.5967 5.5967 6.9503 6.9503 10.3223 10.3223 10.3224 10.3224 10.9940 10.9940 12.0386 12.0386 12.2153 12.2153 12.2174 12.2174 12.4364 12.4364 12.7810 12.7810 12.8420 12.8420 12.8485 12.8485 13.6109 13.6109 13.6167 13.6167 k = 0.5000 0.5000 0.1842 ( 3192 PWs) bands (ev): -44.1406 -44.1406 -44.1374 -44.1374 -44.1360 -44.1360 -44.1360 -44.1360 -20.9692 -20.9692 -20.9067 -20.9067 -20.8902 -20.8902 -20.8708 -20.8708 -20.3359 -20.3359 -20.3051 -20.3051 -20.2422 -20.2422 -20.2398 -20.2398 -20.1103 -20.1103 -20.1085 -20.1085 -20.0423 -20.0423 -20.0420 -20.0420 5.5573 5.5573 7.0083 7.0083 10.3117 10.3117 10.3119 10.3119 10.9421 10.9421 12.0726 12.0726 12.2296 12.2296 12.2317 12.2317 12.4599 12.4599 12.8206 12.8206 12.8720 12.8720 12.8792 12.8792 13.5747 13.5747 13.5813 13.5813 k = 0.5000 0.5000 0.1974 ( 3192 PWs) bands (ev): -44.1407 -44.1407 -44.1373 -44.1373 -44.1360 -44.1360 -44.1360 -44.1360 -20.9738 -20.9738 -20.9077 -20.9077 -20.8928 -20.8928 -20.8723 -20.8723 -20.3362 -20.3362 -20.3038 -20.3038 -20.2423 -20.2423 -20.2399 -20.2399 -20.1079 -20.1079 -20.1062 -20.1062 -20.0401 -20.0401 -20.0398 -20.0398 5.5193 5.5193 7.0661 7.0661 10.3006 10.3006 10.3007 10.3007 10.8903 10.8903 12.1076 12.1076 12.2466 12.2466 12.2488 12.2488 12.4848 12.4848 12.8595 12.8595 12.9011 12.9011 12.9090 12.9090 13.5400 13.5400 13.5475 13.5475 k = 0.5000 0.5000 0.2105 ( 3192 PWs) bands (ev): -44.1408 -44.1408 -44.1372 -44.1372 -44.1360 -44.1360 -44.1360 -44.1360 -20.9783 -20.9783 -20.9088 -20.9088 -20.8953 -20.8953 -20.8738 -20.8738 -20.3364 -20.3364 -20.3027 -20.3027 -20.2423 -20.2423 -20.2400 -20.2400 -20.1055 -20.1055 -20.1039 -20.1039 -20.0379 -20.0379 -20.0376 -20.0376 5.4826 5.4826 7.1236 7.1236 10.2891 10.2891 10.2892 10.2892 10.8389 10.8389 12.1437 12.1437 12.2665 12.2665 12.2686 12.2686 12.5108 12.5108 12.8973 12.8973 12.9287 12.9287 12.9374 12.9374 13.5072 13.5072 13.5157 13.5157 k = 0.5000 0.5000 0.2237 ( 3196 PWs) bands (ev): -44.1409 -44.1409 -44.1371 -44.1371 -44.1360 -44.1360 -44.1360 -44.1360 -20.9828 -20.9828 -20.9101 -20.9101 -20.8980 -20.8980 -20.8755 -20.8755 -20.3366 -20.3366 -20.3015 -20.3015 -20.2424 -20.2424 -20.2402 -20.2402 -20.1030 -20.1030 -20.1015 -20.1015 -20.0357 -20.0357 -20.0354 -20.0354 5.4473 5.4473 7.1807 7.1807 10.2772 10.2772 10.2772 10.2772 10.7879 10.7879 12.1810 12.1810 12.2890 12.2890 12.2911 12.2911 12.5377 12.5377 12.9338 12.9338 12.9548 12.9548 12.9642 12.9642 13.4764 13.4764 13.4861 13.4861 k = 0.5000 0.5000 0.2368 ( 3196 PWs) bands (ev): -44.1410 -44.1410 -44.1370 -44.1370 -44.1360 -44.1360 -44.1360 -44.1360 -20.9873 -20.9873 -20.9114 -20.9114 -20.9006 -20.9006 -20.8772 -20.8772 -20.3368 -20.3368 -20.3005 -20.3005 -20.2424 -20.2424 -20.2403 -20.2403 -20.1005 -20.1005 -20.0991 -20.0991 -20.0334 -20.0334 -20.0331 -20.0331 5.4135 5.4135 7.2372 7.2372 10.2650 10.2650 10.2650 10.2650 10.7375 10.7375 12.2195 12.2195 12.3141 12.3141 12.3162 12.3162 12.5653 12.5653 12.9679 12.9679 12.9795 12.9795 12.9888 12.9888 13.4480 13.4480 13.4591 13.4591 k = 0.5000 0.5000 0.2500 ( 3196 PWs) bands (ev): -44.1410 -44.1410 -44.1369 -44.1369 -44.1360 -44.1360 -44.1360 -44.1360 -20.9917 -20.9917 -20.9128 -20.9128 -20.9031 -20.9031 -20.8789 -20.8789 -20.3369 -20.3369 -20.2995 -20.2995 -20.2424 -20.2424 -20.2405 -20.2405 -20.0979 -20.0979 -20.0967 -20.0967 -20.0311 -20.0311 -20.0308 -20.0308 5.3811 5.3811 7.2929 7.2929 10.2526 10.2526 10.2527 10.2527 10.6877 10.6877 12.2590 12.2590 12.3417 12.3417 12.3437 12.3437 12.5934 12.5934 12.9954 12.9954 13.0064 13.0064 13.0109 13.0109 13.4223 13.4223 13.4349 13.4349 k = 0.5000 0.5000 0.2632 ( 3196 PWs) bands (ev): -44.1411 -44.1411 -44.1368 -44.1368 -44.1360 -44.1360 -44.1360 -44.1360 -20.9960 -20.9960 -20.9143 -20.9143 -20.9057 -20.9057 -20.8807 -20.8807 -20.3370 -20.3370 -20.2985 -20.2985 -20.2424 -20.2424 -20.2406 -20.2406 -20.0954 -20.0954 -20.0942 -20.0942 -20.0288 -20.0288 -20.0285 -20.0285 5.3502 5.3502 7.3479 7.3479 10.2402 10.2402 10.2402 10.2402 10.6388 10.6388 12.2996 12.2996 12.3715 12.3715 12.3735 12.3735 12.6218 12.6218 13.0144 13.0144 13.0298 13.0298 13.0368 13.0368 13.3998 13.3998 13.4139 13.4139 k = 0.5000 0.5000 0.2763 ( 3196 PWs) bands (ev): -44.1412 -44.1412 -44.1367 -44.1367 -44.1359 -44.1359 -44.1359 -44.1359 -21.0001 -21.0001 -20.9157 -20.9157 -20.9082 -20.9082 -20.8825 -20.8825 -20.3370 -20.3370 -20.2976 -20.2976 -20.2424 -20.2424 -20.2408 -20.2408 -20.0929 -20.0929 -20.0919 -20.0919 -20.0265 -20.0265 -20.0263 -20.0263 5.3208 5.3208 7.4018 7.4018 10.2278 10.2278 10.2278 10.2278 10.5908 10.5908 12.3411 12.3411 12.4034 12.4034 12.4053 12.4053 12.6502 12.6502 13.0286 13.0286 13.0450 13.0450 13.0662 13.0662 13.3807 13.3807 13.3964 13.3964 k = 0.5000 0.5000 0.2895 ( 3196 PWs) bands (ev): -44.1412 -44.1412 -44.1366 -44.1366 -44.1359 -44.1359 -44.1359 -44.1359 -21.0042 -21.0042 -20.9172 -20.9172 -20.9106 -20.9106 -20.8842 -20.8842 -20.3370 -20.3370 -20.2968 -20.2968 -20.2424 -20.2424 -20.2409 -20.2409 -20.0904 -20.0904 -20.0895 -20.0895 -20.0243 -20.0243 -20.0241 -20.0241 5.2929 5.2929 7.4546 7.4546 10.2155 10.2155 10.2155 10.2155 10.5440 10.5440 12.3834 12.3834 12.4371 12.4371 12.4390 12.4390 12.6784 12.6784 13.0386 13.0386 13.0561 13.0561 13.0937 13.0937 13.3653 13.3653 13.3826 13.3826 k = 0.5000 0.5000 0.3026 ( 3172 PWs) bands (ev): -44.1413 -44.1413 -44.1365 -44.1365 -44.1359 -44.1359 -44.1359 -44.1359 -21.0080 -21.0080 -20.9187 -20.9187 -20.9129 -20.9129 -20.8859 -20.8859 -20.3369 -20.3369 -20.2959 -20.2959 -20.2423 -20.2423 -20.2409 -20.2409 -20.0879 -20.0879 -20.0871 -20.0871 -20.0220 -20.0220 -20.0219 -20.0219 5.2666 5.2666 7.5061 7.5061 10.2034 10.2034 10.2034 10.2034 10.4984 10.4984 12.4265 12.4265 12.4724 12.4724 12.4742 12.4742 12.7063 12.7063 13.0445 13.0445 13.0627 13.0627 13.1188 13.1188 13.3536 13.3536 13.3726 13.3726 k = 0.5000 0.5000 0.3158 ( 3172 PWs) bands (ev): -44.1414 -44.1414 -44.1364 -44.1364 -44.1359 -44.1359 -44.1359 -44.1359 -21.0117 -21.0117 -20.9202 -20.9202 -20.9152 -20.9152 -20.8876 -20.8876 -20.3369 -20.3369 -20.2951 -20.2951 -20.2422 -20.2422 -20.2411 -20.2411 -20.0856 -20.0856 -20.0849 -20.0849 -20.0199 -20.0199 -20.0198 -20.0198 5.2419 5.2419 7.5560 7.5560 10.1916 10.1916 10.1917 10.1917 10.4541 10.4541 12.4700 12.4700 12.5091 12.5091 12.5108 12.5108 12.7336 12.7336 13.0463 13.0463 13.0651 13.0651 13.1414 13.1414 13.3444 13.3444 13.3660 13.3661 k = 0.5000 0.5000 0.3289 ( 3176 PWs) bands (ev): -44.1414 -44.1414 -44.1363 -44.1363 -44.1359 -44.1359 -44.1359 -44.1359 -21.0152 -21.0152 -20.9216 -20.9216 -20.9174 -20.9174 -20.8893 -20.8893 -20.3369 -20.3369 -20.2945 -20.2945 -20.2422 -20.2422 -20.2412 -20.2412 -20.0833 -20.0833 -20.0828 -20.0828 -20.0179 -20.0179 -20.0178 -20.0178 5.2188 5.2188 7.6042 7.6042 10.1803 10.1803 10.1803 10.1803 10.4115 10.4115 12.5139 12.5139 12.5468 12.5468 12.5484 12.5484 12.7601 12.7601 13.0447 13.0447 13.0636 13.0636 13.1613 13.1613 13.3333 13.3333 13.3516 13.3516 k = 0.5000 0.5000 0.3421 ( 3176 PWs) bands (ev): -44.1415 -44.1415 -44.1362 -44.1362 -44.1359 -44.1359 -44.1359 -44.1359 -21.0185 -21.0185 -20.9230 -20.9230 -20.9195 -20.9195 -20.8909 -20.8909 -20.3369 -20.3369 -20.2939 -20.2939 -20.2422 -20.2422 -20.2413 -20.2413 -20.0812 -20.0812 -20.0807 -20.0807 -20.0160 -20.0160 -20.0159 -20.0159 5.1973 5.1973 7.6504 7.6504 10.1694 10.1694 10.1695 10.1695 10.3706 10.3706 12.5579 12.5579 12.5852 12.5852 12.5867 12.5867 12.7856 12.7856 13.0403 13.0403 13.0589 13.0589 13.1784 13.1784 13.3160 13.3160 13.3462 13.3462 k = 0.5000 0.5000 0.3553 ( 3184 PWs) bands (ev): -44.1415 -44.1415 -44.1362 -44.1362 -44.1359 -44.1359 -44.1359 -44.1359 -21.0217 -21.0217 -20.9244 -20.9244 -20.9215 -20.9215 -20.8924 -20.8924 -20.3368 -20.3368 -20.2934 -20.2934 -20.2422 -20.2422 -20.2414 -20.2414 -20.0792 -20.0792 -20.0788 -20.0788 -20.0142 -20.0142 -20.0142 -20.0142 5.1775 5.1775 7.6943 7.6943 10.1591 10.1591 10.1592 10.1592 10.3317 10.3317 12.6017 12.6017 12.6240 12.6240 12.6254 12.6254 12.8098 12.8098 13.0339 13.0339 13.0520 13.0520 13.1925 13.1925 13.2976 13.2976 13.3451 13.3451 k = 0.5000 0.5000 0.3684 ( 3184 PWs) bands (ev): -44.1415 -44.1415 -44.1361 -44.1361 -44.1359 -44.1359 -44.1359 -44.1359 -21.0246 -21.0246 -20.9257 -20.9257 -20.9233 -20.9233 -20.8939 -20.8939 -20.3368 -20.3368 -20.2929 -20.2929 -20.2422 -20.2422 -20.2415 -20.2415 -20.0773 -20.0773 -20.0770 -20.0770 -20.0126 -20.0126 -20.0125 -20.0125 5.1593 5.1593 7.7359 7.7359 10.1495 10.1495 10.1496 10.1496 10.2950 10.2950 12.6451 12.6451 12.6628 12.6628 12.6641 12.6641 12.8326 12.8326 13.0261 13.0261 13.0436 13.0436 13.2037 13.2037 13.2801 13.2801 13.3454 13.3454 k = 0.5000 0.5000 0.3816 ( 3184 PWs) bands (ev): -44.1416 -44.1416 -44.1361 -44.1361 -44.1359 -44.1359 -44.1359 -44.1359 -21.0272 -21.0272 -20.9269 -20.9269 -20.9249 -20.9249 -20.8952 -20.8952 -20.3367 -20.3367 -20.2924 -20.2924 -20.2421 -20.2421 -20.2416 -20.2416 -20.0756 -20.0756 -20.0753 -20.0753 -20.0110 -20.0110 -20.0109 -20.0109 5.1429 5.1429 7.7746 7.7746 10.1406 10.1406 10.1406 10.1406 10.2607 10.2607 12.6877 12.6877 12.7011 12.7011 12.7023 12.7023 12.8539 12.8539 13.0176 13.0176 13.0344 13.0344 13.2118 13.2118 13.2640 13.2640 13.3459 13.3459 k = 0.5000 0.5000 0.3947 ( 3168 PWs) bands (ev): -44.1416 -44.1416 -44.1360 -44.1360 -44.1358 -44.1358 -44.1358 -44.1358 -21.0295 -21.0295 -20.9279 -20.9279 -20.9264 -20.9264 -20.8963 -20.8963 -20.3366 -20.3366 -20.2920 -20.2920 -20.2420 -20.2420 -20.2416 -20.2416 -20.0740 -20.0740 -20.0738 -20.0738 -20.0095 -20.0095 -20.0095 -20.0095 5.1281 5.1281 7.8104 7.8104 10.1324 10.1324 10.1325 10.1325 10.2291 10.2291 12.7290 12.7290 12.7385 12.7385 12.7396 12.7396 12.8734 12.8734 13.0088 13.0088 13.0250 13.0250 13.2168 13.2168 13.2495 13.2495 13.3459 13.3459 k = 0.5000 0.5000 0.4079 ( 3168 PWs) bands (ev): -44.1416 -44.1416 -44.1359 -44.1359 -44.1358 -44.1358 -44.1358 -44.1358 -21.0316 -21.0316 -20.9289 -20.9289 -20.9277 -20.9277 -20.8974 -20.8974 -20.3366 -20.3366 -20.2916 -20.2916 -20.2420 -20.2420 -20.2417 -20.2417 -20.0725 -20.0725 -20.0724 -20.0724 -20.0083 -20.0083 -20.0082 -20.0082 5.1150 5.1150 7.8429 7.8429 10.1251 10.1251 10.1252 10.1252 10.2004 10.2004 12.7686 12.7686 12.7745 12.7745 12.7757 12.7757 12.8909 12.8909 13.0001 13.0001 13.0158 13.0158 13.2190 13.2190 13.2366 13.2366 13.3452 13.3452 k = 0.5000 0.5000 0.4211 ( 3156 PWs) bands (ev): -44.1417 -44.1417 -44.1359 -44.1359 -44.1358 -44.1358 -44.1358 -44.1358 -21.0334 -21.0334 -20.9297 -20.9297 -20.9289 -20.9289 -20.8983 -20.8983 -20.3365 -20.3365 -20.2913 -20.2913 -20.2419 -20.2419 -20.2417 -20.2417 -20.0712 -20.0712 -20.0711 -20.0711 -20.0071 -20.0071 -20.0071 -20.0071 5.1036 5.1036 7.8718 7.8718 10.1186 10.1186 10.1187 10.1187 10.1748 10.1748 12.8055 12.8055 12.8086 12.8086 12.8104 12.8104 12.9063 12.9063 12.9917 12.9917 13.0070 13.0070 13.2185 13.2185 13.2253 13.2253 13.3436 13.3436 k = 0.5000 0.5000 0.4342 ( 3172 PWs) bands (ev): -44.1417 -44.1417 -44.1359 -44.1359 -44.1358 -44.1358 -44.1358 -44.1358 -21.0351 -21.0351 -20.9306 -20.9306 -20.9300 -20.9300 -20.8993 -20.8993 -20.3365 -20.3365 -20.2911 -20.2911 -20.2420 -20.2420 -20.2418 -20.2418 -20.0702 -20.0702 -20.0702 -20.0702 -20.0062 -20.0062 -20.0062 -20.0062 5.0940 5.0940 7.8967 7.8967 10.1131 10.1131 10.1132 10.1132 10.1526 10.1526 12.8382 12.8382 12.8401 12.8401 12.8438 12.8438 12.9195 12.9195 12.9837 12.9837 12.9986 12.9986 13.2156 13.2156 13.2158 13.2158 13.3412 13.3412 k = 0.5000 0.5000 0.4474 ( 3172 PWs) bands (ev): -44.1417 -44.1417 -44.1359 -44.1359 -44.1358 -44.1358 -44.1358 -44.1358 -21.0364 -21.0364 -20.9312 -20.9312 -20.9308 -20.9308 -20.8999 -20.8999 -20.3365 -20.3365 -20.2909 -20.2909 -20.2419 -20.2419 -20.2418 -20.2418 -20.0693 -20.0693 -20.0693 -20.0693 -20.0054 -20.0054 -20.0054 -20.0054 5.0861 5.0861 7.9176 7.9176 10.1085 10.1085 10.1087 10.1087 10.1342 10.1342 12.8668 12.8668 12.8685 12.8685 12.8746 12.8746 12.9303 12.9303 12.9761 12.9761 12.9909 12.9909 13.2080 13.2080 13.2109 13.2109 13.3382 13.3382 k = 0.5000 0.5000 0.4605 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -21.0375 -21.0375 -20.9317 -20.9317 -20.9315 -20.9315 -20.9005 -20.9005 -20.3365 -20.3365 -20.2908 -20.2908 -20.2420 -20.2420 -20.2419 -20.2419 -20.0687 -20.0687 -20.0687 -20.0687 -20.0048 -20.0048 -20.0048 -20.0048 5.0799 5.0799 7.9341 7.9341 10.1050 10.1050 10.1051 10.1051 10.1195 10.1195 12.8913 12.8913 12.8932 12.8932 12.9011 12.9011 12.9385 12.9385 12.9687 12.9687 12.9836 12.9836 13.2019 13.2019 13.2052 13.2052 13.3351 13.3351 k = 0.5000 0.5000 0.4737 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -21.0382 -21.0382 -20.9321 -20.9321 -20.9320 -20.9320 -20.9009 -20.9009 -20.3365 -20.3365 -20.2907 -20.2907 -20.2420 -20.2420 -20.2419 -20.2419 -20.0682 -20.0682 -20.0682 -20.0682 -20.0044 -20.0044 -20.0044 -20.0044 5.0755 5.0755 7.9460 7.9460 10.1024 10.1024 10.1025 10.1025 10.1089 10.1089 12.9119 12.9119 12.9138 12.9138 12.9217 12.9217 12.9438 12.9438 12.9611 12.9611 12.9768 12.9768 13.1975 13.1975 13.1996 13.1996 13.3324 13.3324 k = 0.5000 0.5000 0.4868 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -21.0387 -21.0387 -20.9323 -20.9323 -20.9323 -20.9323 -20.9012 -20.9012 -20.3365 -20.3365 -20.2906 -20.2906 -20.2420 -20.2420 -20.2420 -20.2420 -20.0679 -20.0679 -20.0679 -20.0679 -20.0041 -20.0041 -20.0041 -20.0041 5.0729 5.0729 7.9532 7.9532 10.1008 10.1008 10.1010 10.1010 10.1025 10.1025 12.9283 12.9283 12.9295 12.9295 12.9350 12.9350 12.9456 12.9456 12.9526 12.9526 12.9711 12.9711 13.1949 13.1949 13.1955 13.1955 13.3305 13.3305 k = 0.5000 0.5000 0.5000 ( 3184 PWs) bands (ev): -44.1417 -44.1417 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -44.1358 -21.0388 -21.0388 -20.9324 -20.9324 -20.9324 -20.9324 -20.9012 -20.9012 -20.3365 -20.3365 -20.2906 -20.2906 -20.2420 -20.2420 -20.2420 -20.2420 -20.0678 -20.0678 -20.0678 -20.0678 -20.0040 -20.0040 -20.0040 -20.0040 5.0720 5.0720 7.9556 7.9556 10.1003 10.1003 10.1004 10.1004 10.1004 10.1004 12.9376 12.9376 12.9376 12.9376 12.9416 12.9416 12.9439 12.9439 12.9439 12.9439 12.9686 12.9686 13.1940 13.1940 13.1940 13.1940 13.3298 13.3298 Writing output data file Ti2H.save init_run : 3.53s CPU 13.03s WALL ( 1 calls) electrons : 892.56s CPU 900.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 892.54s CPU 900.43s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.82s WALL ( 1 calls) v_h : 0.03s CPU 0.06s WALL ( 1 calls) v_xc : 0.04s CPU 0.44s WALL ( 1 calls) newd : 0.45s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 291 calls) cegterg : 860.65s CPU 866.21s WALL ( 1065 calls) Called by sum_band: Called by *egterg: h_psi : 254.25s CPU 265.40s WALL ( 20583 calls) s_psi : 35.54s CPU 36.24s WALL ( 20583 calls) g_psi : 0.57s CPU 0.63s WALL ( 19227 calls) cdiaghg : 451.09s CPU 446.56s WALL ( 19518 calls) cegterg:over : 62.43s CPU 58.61s WALL ( 19227 calls) cegterg:upda : 11.61s CPU 16.62s WALL ( 19227 calls) cegterg:last : 8.64s CPU 9.34s WALL ( 2019 calls) Called by h_psi: h_psi:vloc : 184.20s CPU 193.87s WALL ( 20583 calls) h_psi:vnl : 69.67s CPU 70.72s WALL ( 20583 calls) add_vuspsi : 25.05s CPU 29.65s WALL ( 20583 calls) General routines calbec : 44.55s CPU 40.96s WALL ( 20583 calls) fft : 0.07s CPU 0.96s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 169.20s CPU 174.98s WALL ( 1461896 calls) interpolate : 0.02s CPU 0.08s WALL ( 4 calls) davcio : 0.03s CPU 1.09s WALL ( 582 calls) Parallel routines fft_scatter : 113.31s CPU 119.61s WALL ( 1461919 calls) PWSCF : 15m41.24s CPU 16m44.64s WALL This run was terminated on: 23:26:28 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=