Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:31:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrHg3.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 30 9 2236 740 121 Max 63 31 10 2241 756 124 Sum 2241 1085 325 80581 26865 4385 bravais-lattice index = 14 lattice parameter (alat) = 8.2490 a.u. unit-cell volume = 561.3180 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.249032 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 Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 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 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Zr 4.00 91.22400 Zr( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 279 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0035842 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0035842 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0035842 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0035842 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0035842 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0035842 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0035842 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0035842 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0035842 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0035842 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0035842 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0035842 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0035842 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0035842 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0035842 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0035842 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0035842 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0035842 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0035842 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0035842 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0035842 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0035842 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0035842 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0035842 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0035842 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0035842 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0035842 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0035842 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0035842 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0035842 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0035842 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0035842 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0035842 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0035842 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0035842 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035842 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035842 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0035842 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0035842 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0035842 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0035842 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0035842 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0035842 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0035842 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0035842 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0035842 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0035842 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0035842 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0035842 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0035842 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0035842 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0035842 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0035842 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0035842 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0035842 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0035842 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0035842 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0035842 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0035842 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0035842 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0035842 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0035842 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0035842 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0035842 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0035842 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0035842 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0035842 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0035842 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0035842 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0035842 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0035842 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0035842 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035842 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035842 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0035842 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0035842 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0035842 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0035842 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0035842 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0035842 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0035842 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0035842 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0035842 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0035842 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0035842 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0035842 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0035842 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0035842 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0035842 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0035842 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035842 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0035842 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0035842 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0035842 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0035842 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0035842 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0035842 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0035842 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0035842 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0035842 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0035842 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0035842 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0035842 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0035842 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0035842 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0035842 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0035842 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035842 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0035842 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0035842 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0035842 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0035842 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0035842 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0035842 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0035842 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0035842 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0035842 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0035842 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0035842 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0035842 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0035842 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0035842 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0035842 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0035842 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 128) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0035842 k( 129) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0035842 k( 130) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0035842 k( 131) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0035842 k( 132) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0035842 k( 133) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0035842 k( 134) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0035842 k( 135) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0035842 k( 136) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0035842 k( 137) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0035842 k( 138) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0035842 k( 139) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0035842 k( 140) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0035842 k( 141) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0035842 k( 142) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0035842 k( 143) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0035842 k( 144) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0035842 k( 145) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0035842 k( 146) = ( 0.1507937 0.1507936 0.1507936), wk = 0.0035842 k( 147) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0035842 k( 148) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0035842 k( 149) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0035842 k( 150) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0035842 k( 151) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0035842 k( 152) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0035842 k( 153) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0035842 k( 154) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0035842 k( 155) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0035842 k( 156) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0035842 k( 157) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0035842 k( 158) = ( 0.2460317 0.2460317 0.2460317), wk = 0.0035842 k( 159) = ( 0.2539683 0.2539683 0.2539682), wk = 0.0035842 k( 160) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0035842 k( 161) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0035842 k( 162) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0035842 k( 163) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0035842 k( 164) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0035842 k( 165) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0035842 k( 166) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0035842 k( 167) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0035842 k( 168) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0035842 k( 169) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035842 k( 170) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0035842 k( 171) = ( 0.3492063 0.3492063 0.3492063), wk = 0.0035842 k( 172) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0035842 k( 173) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0035842 k( 174) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0035842 k( 175) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0035842 k( 176) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0035842 k( 177) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0035842 k( 178) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0035842 k( 179) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0035842 k( 180) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0035842 k( 181) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0035842 k( 182) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0035842 k( 183) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0035842 k( 184) = ( 0.4523810 0.4523809 0.4523809), wk = 0.0035842 k( 185) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0035842 k( 186) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0035842 k( 187) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0035842 k( 188) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0035842 k( 189) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0035842 k( 190) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 191) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 192) = ( 0.4901961 0.5000000 0.4901961), wk = 0.0035842 k( 193) = ( 0.4803922 0.5000000 0.4803922), wk = 0.0035842 k( 194) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0035842 k( 195) = ( 0.4607843 0.5000000 0.4607843), wk = 0.0035842 k( 196) = ( 0.4509804 0.5000000 0.4509804), wk = 0.0035842 k( 197) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0035842 k( 198) = ( 0.4313726 0.5000000 0.4313725), wk = 0.0035842 k( 199) = ( 0.4215686 0.5000000 0.4215686), wk = 0.0035842 k( 200) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0035842 k( 201) = ( 0.4019608 0.5000000 0.4019608), wk = 0.0035842 k( 202) = ( 0.3921569 0.5000000 0.3921569), wk = 0.0035842 k( 203) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0035842 k( 204) = ( 0.3725490 0.5000000 0.3725490), wk = 0.0035842 k( 205) = ( 0.3627451 0.5000000 0.3627451), wk = 0.0035842 k( 206) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0035842 k( 207) = ( 0.3431373 0.5000000 0.3431372), wk = 0.0035842 k( 208) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0035842 k( 209) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0035842 k( 210) = ( 0.3137255 0.5000000 0.3137255), wk = 0.0035842 k( 211) = ( 0.3039216 0.5000000 0.3039216), wk = 0.0035842 k( 212) = ( 0.2941177 0.5000000 0.2941176), wk = 0.0035842 k( 213) = ( 0.2843137 0.5000000 0.2843137), wk = 0.0035842 k( 214) = ( 0.2745098 0.5000000 0.2745098), wk = 0.0035842 k( 215) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0035842 k( 216) = ( 0.2549020 0.5000000 0.2549020), wk = 0.0035842 k( 217) = ( 0.2450980 0.5000000 0.2450980), wk = 0.0035842 k( 218) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0035842 k( 219) = ( 0.2254902 0.5000000 0.2254902), wk = 0.0035842 k( 220) = ( 0.2156863 0.5000000 0.2156863), wk = 0.0035842 k( 221) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0035842 k( 222) = ( 0.1960784 0.5000000 0.1960784), wk = 0.0035842 k( 223) = ( 0.1862745 0.5000000 0.1862745), wk = 0.0035842 k( 224) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0035842 k( 225) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0035842 k( 226) = ( 0.1568627 0.5000000 0.1568627), wk = 0.0035842 k( 227) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0035842 k( 228) = ( 0.1372549 0.5000000 0.1372549), wk = 0.0035842 k( 229) = ( 0.1274510 0.5000000 0.1274510), wk = 0.0035842 k( 230) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0035842 k( 231) = ( 0.1078431 0.5000000 0.1078431), wk = 0.0035842 k( 232) = ( 0.0980392 0.5000000 0.0980392), wk = 0.0035842 k( 233) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0035842 k( 234) = ( 0.0784314 0.5000000 0.0784314), wk = 0.0035842 k( 235) = ( 0.0686275 0.5000000 0.0686274), wk = 0.0035842 k( 236) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0035842 k( 237) = ( 0.0490196 0.5000000 0.0490196), wk = 0.0035842 k( 238) = ( 0.0392157 0.5000000 0.0392157), wk = 0.0035842 k( 239) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0035842 k( 240) = ( 0.0196078 0.5000000 0.0196078), wk = 0.0035842 k( 241) = ( 0.0098039 0.5000000 0.0098039), wk = 0.0035842 k( 242) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035842 k( 243) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035842 k( 244) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0035842 k( 245) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0035842 k( 246) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0035842 k( 247) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0035842 k( 248) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0035842 k( 249) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0035842 k( 250) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0035842 k( 251) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0035842 k( 252) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0035842 k( 253) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0035842 k( 254) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0035842 k( 255) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0035842 k( 256) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0035842 k( 257) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0035842 k( 258) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0035842 k( 259) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0035842 k( 260) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0035842 k( 261) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035842 k( 262) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0035842 k( 263) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0035842 k( 264) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0035842 k( 265) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0035842 k( 266) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0035842 k( 267) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0035842 k( 268) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0035842 k( 269) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0035842 k( 270) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0035842 k( 271) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0035842 k( 272) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0035842 k( 273) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0035842 k( 274) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0035842 k( 275) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0035842 k( 276) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0035842 k( 277) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0035842 k( 278) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0035842 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0035842 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0035842 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0035842 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0035842 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0035842 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0035842 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0035842 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0035842 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0035842 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0035842 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0035842 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0035842 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0035842 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0035842 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0035842 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0035842 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0035842 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0035842 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0035842 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0035842 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0035842 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0035842 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0035842 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0035842 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0035842 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0035842 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0035842 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0035842 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0035842 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0035842 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0035842 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0035842 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0035842 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0035842 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0035842 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0035842 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0035842 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0035842 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0035842 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0035842 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0035842 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0035842 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0035842 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0035842 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0035842 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0035842 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0035842 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0035842 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0035842 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0035842 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0035842 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0035842 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0035842 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0035842 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0035842 k( 59) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0035842 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0035842 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0035842 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0035842 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0035842 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0035842 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0035842 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0035842 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0035842 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0035842 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0035842 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0035842 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0035842 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0035842 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0035842 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 76) = ( 0.4901961 0.4901961 0.0000000), wk = 0.0035842 k( 77) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0035842 k( 78) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0035842 k( 79) = ( 0.4607843 0.4607843 0.0000000), wk = 0.0035842 k( 80) = ( 0.4509804 0.4509804 0.0000000), wk = 0.0035842 k( 81) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0035842 k( 82) = ( 0.4313726 0.4313726 0.0000000), wk = 0.0035842 k( 83) = ( 0.4215686 0.4215686 0.0000000), wk = 0.0035842 k( 84) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0035842 k( 85) = ( 0.4019608 0.4019608 0.0000000), wk = 0.0035842 k( 86) = ( 0.3921569 0.3921569 0.0000000), wk = 0.0035842 k( 87) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0035842 k( 88) = ( 0.3725490 0.3725490 0.0000000), wk = 0.0035842 k( 89) = ( 0.3627451 0.3627451 0.0000000), wk = 0.0035842 k( 90) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0035842 k( 91) = ( 0.3431373 0.3431373 0.0000000), wk = 0.0035842 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035842 k( 93) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0035842 k( 94) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0035842 k( 95) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0035842 k( 96) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0035842 k( 97) = ( 0.2843137 0.2843137 0.0000000), wk = 0.0035842 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0035842 k( 99) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0035842 k( 100) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0035842 k( 101) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0035842 k( 102) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0035842 k( 103) = ( 0.2254902 0.2254902 0.0000000), wk = 0.0035842 k( 104) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0035842 k( 105) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0035842 k( 106) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0035842 k( 107) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0035842 k( 108) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0035842 k( 109) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035842 k( 110) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0035842 k( 111) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0035842 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0035842 k( 113) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0035842 k( 114) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0035842 k( 115) = ( 0.1078431 0.1078431 0.0000000), wk = 0.0035842 k( 116) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0035842 k( 117) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0035842 k( 118) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0035842 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0035842 k( 120) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0035842 k( 121) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0035842 k( 122) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0035842 k( 123) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0035842 k( 124) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0035842 k( 125) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0035842 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 128) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0035842 k( 129) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0035842 k( 130) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0035842 k( 131) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0035842 k( 132) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0035842 k( 133) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0035842 k( 134) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0035842 k( 135) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0035842 k( 136) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0035842 k( 137) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0035842 k( 138) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0035842 k( 139) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0035842 k( 140) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0035842 k( 141) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0035842 k( 142) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0035842 k( 143) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0035842 k( 144) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0035842 k( 145) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0035842 k( 146) = ( 0.1507937 0.1507937 0.1507937), wk = 0.0035842 k( 147) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0035842 k( 148) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0035842 k( 149) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0035842 k( 150) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0035842 k( 151) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0035842 k( 152) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0035842 k( 153) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0035842 k( 154) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0035842 k( 155) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0035842 k( 156) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0035842 k( 157) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0035842 k( 158) = ( 0.2460317 0.2460317 0.2460317), wk = 0.0035842 k( 159) = ( 0.2539683 0.2539683 0.2539683), wk = 0.0035842 k( 160) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0035842 k( 161) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0035842 k( 162) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0035842 k( 163) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0035842 k( 164) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0035842 k( 165) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0035842 k( 166) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0035842 k( 167) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0035842 k( 168) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0035842 k( 169) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035842 k( 170) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0035842 k( 171) = ( 0.3492063 0.3492063 0.3492063), wk = 0.0035842 k( 172) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0035842 k( 173) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0035842 k( 174) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0035842 k( 175) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0035842 k( 176) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0035842 k( 177) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0035842 k( 178) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0035842 k( 179) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0035842 k( 180) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0035842 k( 181) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0035842 k( 182) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0035842 k( 183) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0035842 k( 184) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0035842 k( 185) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0035842 k( 186) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0035842 k( 187) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0035842 k( 188) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0035842 k( 189) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0035842 k( 190) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 191) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 192) = ( 0.4901961 0.5000000 0.4901961), wk = 0.0035842 k( 193) = ( 0.4803922 0.5000000 0.4803922), wk = 0.0035842 k( 194) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0035842 k( 195) = ( 0.4607843 0.5000000 0.4607843), wk = 0.0035842 k( 196) = ( 0.4509804 0.5000000 0.4509804), wk = 0.0035842 k( 197) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0035842 k( 198) = ( 0.4313726 0.5000000 0.4313726), wk = 0.0035842 k( 199) = ( 0.4215686 0.5000000 0.4215686), wk = 0.0035842 k( 200) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0035842 k( 201) = ( 0.4019608 0.5000000 0.4019608), wk = 0.0035842 k( 202) = ( 0.3921569 0.5000000 0.3921569), wk = 0.0035842 k( 203) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0035842 k( 204) = ( 0.3725490 0.5000000 0.3725490), wk = 0.0035842 k( 205) = ( 0.3627451 0.5000000 0.3627451), wk = 0.0035842 k( 206) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0035842 k( 207) = ( 0.3431373 0.5000000 0.3431373), wk = 0.0035842 k( 208) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0035842 k( 209) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0035842 k( 210) = ( 0.3137255 0.5000000 0.3137255), wk = 0.0035842 k( 211) = ( 0.3039216 0.5000000 0.3039216), wk = 0.0035842 k( 212) = ( 0.2941177 0.5000000 0.2941177), wk = 0.0035842 k( 213) = ( 0.2843137 0.5000000 0.2843137), wk = 0.0035842 k( 214) = ( 0.2745098 0.5000000 0.2745098), wk = 0.0035842 k( 215) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0035842 k( 216) = ( 0.2549020 0.5000000 0.2549020), wk = 0.0035842 k( 217) = ( 0.2450980 0.5000000 0.2450980), wk = 0.0035842 k( 218) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0035842 k( 219) = ( 0.2254902 0.5000000 0.2254902), wk = 0.0035842 k( 220) = ( 0.2156863 0.5000000 0.2156863), wk = 0.0035842 k( 221) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0035842 k( 222) = ( 0.1960784 0.5000000 0.1960784), wk = 0.0035842 k( 223) = ( 0.1862745 0.5000000 0.1862745), wk = 0.0035842 k( 224) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0035842 k( 225) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0035842 k( 226) = ( 0.1568627 0.5000000 0.1568627), wk = 0.0035842 k( 227) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0035842 k( 228) = ( 0.1372549 0.5000000 0.1372549), wk = 0.0035842 k( 229) = ( 0.1274510 0.5000000 0.1274510), wk = 0.0035842 k( 230) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0035842 k( 231) = ( 0.1078431 0.5000000 0.1078431), wk = 0.0035842 k( 232) = ( 0.0980392 0.5000000 0.0980392), wk = 0.0035842 k( 233) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0035842 k( 234) = ( 0.0784314 0.5000000 0.0784314), wk = 0.0035842 k( 235) = ( 0.0686275 0.5000000 0.0686275), wk = 0.0035842 k( 236) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0035842 k( 237) = ( 0.0490196 0.5000000 0.0490196), wk = 0.0035842 k( 238) = ( 0.0392157 0.5000000 0.0392157), wk = 0.0035842 k( 239) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0035842 k( 240) = ( 0.0196078 0.5000000 0.0196078), wk = 0.0035842 k( 241) = ( 0.0098039 0.5000000 0.0098039), wk = 0.0035842 k( 242) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 243) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 244) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0035842 k( 245) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0035842 k( 246) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0035842 k( 247) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0035842 k( 248) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0035842 k( 249) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0035842 k( 250) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0035842 k( 251) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0035842 k( 252) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0035842 k( 253) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0035842 k( 254) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0035842 k( 255) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0035842 k( 256) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0035842 k( 257) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0035842 k( 258) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0035842 k( 259) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0035842 k( 260) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0035842 k( 261) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035842 k( 262) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0035842 k( 263) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0035842 k( 264) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0035842 k( 265) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0035842 k( 266) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0035842 k( 267) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0035842 k( 268) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0035842 k( 269) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0035842 k( 270) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0035842 k( 271) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0035842 k( 272) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0035842 k( 273) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0035842 k( 274) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0035842 k( 275) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0035842 k( 276) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0035842 k( 277) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0035842 k( 278) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0035842 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 Dense grid: 80581 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 26865 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 208, 48) NL pseudopotentials 0.19 Mb ( 104, 118) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2241) G-vector shells 0.00 Mb ( 483) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 208, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.17 Mb ( 118, 2, 48) The potential is recalculated from file : ./ZrHg3.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.0 secs Computing kpt #: 13 total cpu time spent up to now is 8.6 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 10.0 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 15.6 secs Computing kpt #: 21 total cpu time spent up to now is 16.3 secs Computing kpt #: 22 total cpu time spent up to now is 17.0 secs Computing kpt #: 23 total cpu time spent up to now is 17.6 secs Computing kpt #: 24 total cpu time spent up to now is 18.3 secs Computing kpt #: 25 total cpu time spent up to now is 19.0 secs Computing kpt #: 26 total cpu time spent up to now is 19.6 secs Computing kpt #: 27 total cpu time spent up to now is 20.2 secs Computing kpt #: 28 total cpu time spent up to now is 20.9 secs Computing kpt #: 29 total cpu time spent up to now is 21.5 secs Computing kpt #: 30 total cpu time spent up to now is 22.1 secs Computing kpt #: 31 total cpu time spent up to now is 22.7 secs Computing kpt #: 32 total cpu time spent up to now is 23.3 secs Computing kpt #: 33 total cpu time spent up to now is 23.9 secs Computing kpt #: 34 total cpu time spent up to now is 24.5 secs Computing kpt #: 35 total cpu time spent up to now is 25.1 secs Computing kpt #: 36 total cpu time spent up to now is 25.7 secs Computing kpt #: 37 total cpu time spent up to now is 26.3 secs Computing kpt #: 38 total cpu time spent up to now is 26.9 secs Computing kpt #: 39 total cpu time spent up to now is 27.5 secs Computing kpt #: 40 total cpu time spent up to now is 28.2 secs Computing kpt #: 41 total cpu time spent up to now is 28.9 secs Computing kpt #: 42 total cpu time spent up to now is 29.6 secs Computing kpt #: 43 total cpu time spent up to now is 30.2 secs Computing kpt #: 44 total cpu time spent up to now is 30.8 secs Computing kpt #: 45 total cpu time spent up to now is 31.4 secs Computing kpt #: 46 total cpu time spent up to now is 32.0 secs Computing kpt #: 47 total cpu time spent up to now is 32.6 secs Computing kpt #: 48 total cpu time spent up to now is 33.2 secs Computing kpt #: 49 total cpu time spent up to now is 33.7 secs Computing kpt #: 50 total cpu time spent up to now is 34.3 secs Computing kpt #: 51 total cpu time spent up to now is 34.8 secs Computing kpt #: 52 total cpu time spent up to now is 35.4 secs Computing kpt #: 53 total cpu time spent up to now is 35.9 secs Computing kpt #: 54 total cpu time spent up to now is 36.5 secs Computing kpt #: 55 total cpu time spent up to now is 37.1 secs Computing kpt #: 56 total cpu time spent up to now is 37.7 secs Computing kpt #: 57 total cpu time spent up to now is 38.3 secs Computing kpt #: 58 total cpu time spent up to now is 38.8 secs Computing kpt #: 59 total cpu time spent up to now is 39.4 secs Computing kpt #: 60 total cpu time spent up to now is 39.9 secs Computing kpt #: 61 total cpu time spent up to now is 40.5 secs Computing kpt #: 62 total cpu time spent up to now is 41.1 secs Computing kpt #: 63 total cpu time spent up to now is 41.7 secs Computing kpt #: 64 total cpu time spent up to now is 42.3 secs Computing kpt #: 65 total cpu time spent up to now is 42.9 secs Computing kpt #: 66 total cpu time spent up to now is 43.5 secs Computing kpt #: 67 total cpu time spent up to now is 44.0 secs Computing kpt #: 68 total cpu time spent up to now is 44.6 secs Computing kpt #: 69 total cpu time spent up to now is 45.2 secs Computing kpt #: 70 total cpu time spent up to now is 45.7 secs Computing kpt #: 71 total cpu time spent up to now is 46.3 secs Computing kpt #: 72 total cpu time spent up to now is 46.8 secs Computing kpt #: 73 total cpu time spent up to now is 47.3 secs Computing kpt #: 74 total cpu time spent up to now is 47.8 secs Computing kpt #: 75 total cpu time spent up to now is 48.3 secs Computing kpt #: 76 total cpu time spent up to now is 48.8 secs Computing kpt #: 77 total cpu time spent up to now is 49.3 secs Computing kpt #: 78 total cpu time spent up to now is 49.9 secs Computing kpt #: 79 total cpu time spent up to now is 50.4 secs Computing kpt #: 80 total cpu time spent up to now is 51.0 secs Computing kpt #: 81 total cpu time spent up to now is 51.6 secs Computing kpt #: 82 total cpu time spent up to now is 52.1 secs Computing kpt #: 83 total cpu time spent up to now is 52.7 secs Computing kpt #: 84 total cpu time spent up to now is 53.3 secs Computing kpt #: 85 total cpu time spent up to now is 53.9 secs Computing kpt #: 86 total cpu time spent up to now is 54.5 secs Computing kpt #: 87 total cpu time spent up to now is 55.1 secs Computing kpt #: 88 total cpu time spent up to now is 55.6 secs Computing kpt #: 89 total cpu time spent up to now is 56.2 secs Computing kpt #: 90 total cpu time spent up to now is 56.8 secs Computing kpt #: 91 total cpu time spent up to now is 57.4 secs Computing kpt #: 92 total cpu time spent up to now is 58.0 secs Computing kpt #: 93 total cpu time spent up to now is 58.6 secs Computing kpt #: 94 total cpu time spent up to now is 59.2 secs Computing kpt #: 95 total cpu time spent up to now is 59.8 secs Computing kpt #: 96 total cpu time spent up to now is 60.4 secs Computing kpt #: 97 total cpu time spent up to now is 61.0 secs Computing kpt #: 98 total cpu time spent up to now is 61.5 secs Computing kpt #: 99 total cpu time spent up to now is 62.1 secs Computing kpt #: 100 total cpu time spent up to now is 62.7 secs Computing kpt #: 101 total cpu time spent up to now is 63.2 secs Computing kpt #: 102 total cpu time spent up to now is 63.8 secs Computing kpt #: 103 total cpu time spent up to now is 64.3 secs Computing kpt #: 104 total cpu time spent up to now is 65.0 secs Computing kpt #: 105 total cpu time spent up to now is 65.6 secs Computing kpt #: 106 total cpu time spent up to now is 66.3 secs Computing kpt #: 107 total cpu time spent up to now is 67.1 secs Computing kpt #: 108 total cpu time spent up to now is 67.9 secs Computing kpt #: 109 total cpu time spent up to now is 68.6 secs Computing kpt #: 110 total cpu time spent up to now is 69.4 secs Computing kpt #: 111 total cpu time spent up to now is 70.1 secs Computing kpt #: 112 total cpu time spent up to now is 70.7 secs Computing kpt #: 113 total cpu time spent up to now is 71.4 secs Computing kpt #: 114 total cpu time spent up to now is 72.0 secs Computing kpt #: 115 total cpu time spent up to now is 72.6 secs Computing kpt #: 116 total cpu time spent up to now is 73.2 secs Computing kpt #: 117 total cpu time spent up to now is 73.7 secs Computing kpt #: 118 total cpu time spent up to now is 74.3 secs Computing kpt #: 119 total cpu time spent up to now is 74.9 secs Computing kpt #: 120 total cpu time spent up to now is 75.4 secs Computing kpt #: 121 total cpu time spent up to now is 75.9 secs Computing kpt #: 122 total cpu time spent up to now is 76.5 secs Computing kpt #: 123 total cpu time spent up to now is 77.0 secs Computing kpt #: 124 total cpu time spent up to now is 77.5 secs Computing kpt #: 125 total cpu time spent up to now is 78.1 secs Computing kpt #: 126 total cpu time spent up to now is 78.6 secs Computing kpt #: 127 total cpu time spent up to now is 79.1 secs Computing kpt #: 128 total cpu time spent up to now is 79.6 secs Computing kpt #: 129 total cpu time spent up to now is 80.1 secs Computing kpt #: 130 total cpu time spent up to now is 80.7 secs Computing kpt #: 131 total cpu time spent up to now is 81.2 secs Computing kpt #: 132 total cpu time spent up to now is 81.7 secs Computing kpt #: 133 total cpu time spent up to now is 82.3 secs Computing kpt #: 134 total cpu time spent up to now is 82.8 secs Computing kpt #: 135 total cpu time spent up to now is 83.4 secs Computing kpt #: 136 total cpu time spent up to now is 83.9 secs Computing kpt #: 137 total cpu time spent up to now is 84.5 secs Computing kpt #: 138 total cpu time spent up to now is 85.1 secs Computing kpt #: 139 total cpu time spent up to now is 85.6 secs Computing kpt #: 140 total cpu time spent up to now is 86.2 secs Computing kpt #: 141 total cpu time spent up to now is 86.8 secs Computing kpt #: 142 total cpu time spent up to now is 87.4 secs Computing kpt #: 143 total cpu time spent up to now is 88.0 secs Computing kpt #: 144 total cpu time spent up to now is 88.6 secs Computing kpt #: 145 total cpu time spent up to now is 89.2 secs Computing kpt #: 146 total cpu time spent up to now is 89.8 secs Computing kpt #: 147 total cpu time spent up to now is 90.4 secs Computing kpt #: 148 total cpu time spent up to now is 91.0 secs Computing kpt #: 149 total cpu time spent up to now is 91.6 secs Computing kpt #: 150 total cpu time spent up to now is 92.2 secs Computing kpt #: 151 total cpu time spent up to now is 92.8 secs Computing kpt #: 152 total cpu time spent up to now is 93.5 secs Computing kpt #: 153 total cpu time spent up to now is 94.1 secs Computing kpt #: 154 total cpu time spent up to now is 94.7 secs Computing kpt #: 155 total cpu time spent up to now is 95.3 secs Computing kpt #: 156 total cpu time spent up to now is 95.9 secs Computing kpt #: 157 total cpu time spent up to now is 96.5 secs Computing kpt #: 158 total cpu time spent up to now is 97.1 secs Computing kpt #: 159 total cpu time spent up to now is 97.7 secs Computing kpt #: 160 total cpu time spent up to now is 98.3 secs Computing kpt #: 161 total cpu time spent up to now is 98.9 secs Computing kpt #: 162 total cpu time spent up to now is 99.5 secs Computing kpt #: 163 total cpu time spent up to now is 100.1 secs Computing kpt #: 164 total cpu time spent up to now is 100.7 secs Computing kpt #: 165 total cpu time spent up to now is 101.3 secs Computing kpt #: 166 total cpu time spent up to now is 101.9 secs Computing kpt #: 167 total cpu time spent up to now is 102.5 secs Computing kpt #: 168 total cpu time spent up to now is 103.1 secs Computing kpt #: 169 total cpu time spent up to now is 103.7 secs Computing kpt #: 170 total cpu time spent up to now is 104.4 secs Computing kpt #: 171 total cpu time spent up to now is 105.0 secs Computing kpt #: 172 total cpu time spent up to now is 105.6 secs Computing kpt #: 173 total cpu time spent up to now is 106.2 secs Computing kpt #: 174 total cpu time spent up to now is 106.8 secs Computing kpt #: 175 total cpu time spent up to now is 107.4 secs Computing kpt #: 176 total cpu time spent up to now is 107.9 secs Computing kpt #: 177 total cpu time spent up to now is 108.4 secs Computing kpt #: 178 total cpu time spent up to now is 109.0 secs Computing kpt #: 179 total cpu time spent up to now is 109.5 secs Computing kpt #: 180 total cpu time spent up to now is 110.0 secs Computing kpt #: 181 total cpu time spent up to now is 110.5 secs Computing kpt #: 182 total cpu time spent up to now is 111.0 secs Computing kpt #: 183 total cpu time spent up to now is 111.5 secs Computing kpt #: 184 total cpu time spent up to now is 112.0 secs Computing kpt #: 185 total cpu time spent up to now is 112.5 secs Computing kpt #: 186 total cpu time spent up to now is 113.0 secs Computing kpt #: 187 total cpu time spent up to now is 113.4 secs Computing kpt #: 188 total cpu time spent up to now is 113.9 secs Computing kpt #: 189 total cpu time spent up to now is 114.4 secs Computing kpt #: 190 total cpu time spent up to now is 114.9 secs Computing kpt #: 191 total cpu time spent up to now is 115.4 secs Computing kpt #: 192 total cpu time spent up to now is 115.8 secs Computing kpt #: 193 total cpu time spent up to now is 116.3 secs Computing kpt #: 194 total cpu time spent up to now is 116.8 secs Computing kpt #: 195 total cpu time spent up to now is 117.3 secs Computing kpt #: 196 total cpu time spent up to now is 117.8 secs Computing kpt #: 197 total cpu time spent up to now is 118.3 secs Computing kpt #: 198 total cpu time spent up to now is 118.8 secs Computing kpt #: 199 total cpu time spent up to now is 119.3 secs Computing kpt #: 200 total cpu time spent up to now is 119.8 secs Computing kpt #: 201 total cpu time spent up to now is 120.3 secs Computing kpt #: 202 total cpu time spent up to now is 120.8 secs Computing kpt #: 203 total cpu time spent up to now is 121.4 secs Computing kpt #: 204 total cpu time spent up to now is 121.9 secs Computing kpt #: 205 total cpu time spent up to now is 122.4 secs Computing kpt #: 206 total cpu time spent up to now is 122.9 secs Computing kpt #: 207 total cpu time spent up to now is 123.5 secs Computing kpt #: 208 total cpu time spent up to now is 124.1 secs Computing kpt #: 209 total cpu time spent up to now is 124.7 secs Computing kpt #: 210 total cpu time spent up to now is 125.3 secs Computing kpt #: 211 total cpu time spent up to now is 125.9 secs Computing kpt #: 212 total cpu time spent up to now is 126.5 secs Computing kpt #: 213 total cpu time spent up to now is 127.2 secs Computing kpt #: 214 total cpu time spent up to now is 128.1 secs Computing kpt #: 215 total cpu time spent up to now is 129.3 secs Computing kpt #: 216 total cpu time spent up to now is 130.4 secs Computing kpt #: 217 total cpu time spent up to now is 131.2 secs Computing kpt #: 218 total cpu time spent up to now is 131.8 secs Computing kpt #: 219 total cpu time spent up to now is 132.4 secs Computing kpt #: 220 total cpu time spent up to now is 133.0 secs Computing kpt #: 221 total cpu time spent up to now is 133.6 secs Computing kpt #: 222 total cpu time spent up to now is 134.3 secs Computing kpt #: 223 total cpu time spent up to now is 134.9 secs Computing kpt #: 224 total cpu time spent up to now is 135.8 secs Computing kpt #: 225 total cpu time spent up to now is 136.7 secs Computing kpt #: 226 total cpu time spent up to now is 137.7 secs Computing kpt #: 227 total cpu time spent up to now is 139.1 secs Computing kpt #: 228 total cpu time spent up to now is 140.1 secs Computing kpt #: 229 total cpu time spent up to now is 140.7 secs Computing kpt #: 230 total cpu time spent up to now is 141.3 secs Computing kpt #: 231 total cpu time spent up to now is 142.0 secs Computing kpt #: 232 total cpu time spent up to now is 142.6 secs Computing kpt #: 233 total cpu time spent up to now is 143.2 secs Computing kpt #: 234 total cpu time spent up to now is 143.8 secs Computing kpt #: 235 total cpu time spent up to now is 144.4 secs Computing kpt #: 236 total cpu time spent up to now is 145.1 secs Computing kpt #: 237 total cpu time spent up to now is 145.7 secs Computing kpt #: 238 total cpu time spent up to now is 146.3 secs Computing kpt #: 239 total cpu time spent up to now is 146.9 secs Computing kpt #: 240 total cpu time spent up to now is 147.5 secs Computing kpt #: 241 total cpu time spent up to now is 148.1 secs Computing kpt #: 242 total cpu time spent up to now is 148.7 secs Computing kpt #: 243 total cpu time spent up to now is 149.2 secs Computing kpt #: 244 total cpu time spent up to now is 149.7 secs Computing kpt #: 245 total cpu time spent up to now is 150.3 secs Computing kpt #: 246 total cpu time spent up to now is 150.8 secs Computing kpt #: 247 total cpu time spent up to now is 151.4 secs Computing kpt #: 248 total cpu time spent up to now is 152.0 secs Computing kpt #: 249 total cpu time spent up to now is 152.6 secs Computing kpt #: 250 total cpu time spent up to now is 153.2 secs Computing kpt #: 251 total cpu time spent up to now is 153.8 secs Computing kpt #: 252 total cpu time spent up to now is 154.3 secs Computing kpt #: 253 total cpu time spent up to now is 154.9 secs Computing kpt #: 254 total cpu time spent up to now is 155.5 secs Computing kpt #: 255 total cpu time spent up to now is 156.1 secs Computing kpt #: 256 total cpu time spent up to now is 156.7 secs Computing kpt #: 257 total cpu time spent up to now is 157.3 secs Computing kpt #: 258 total cpu time spent up to now is 157.8 secs Computing kpt #: 259 total cpu time spent up to now is 158.4 secs Computing kpt #: 260 total cpu time spent up to now is 158.9 secs Computing kpt #: 261 total cpu time spent up to now is 159.4 secs Computing kpt #: 262 total cpu time spent up to now is 160.0 secs Computing kpt #: 263 total cpu time spent up to now is 160.5 secs Computing kpt #: 264 total cpu time spent up to now is 161.0 secs Computing kpt #: 265 total cpu time spent up to now is 161.5 secs Computing kpt #: 266 total cpu time spent up to now is 162.0 secs Computing kpt #: 267 total cpu time spent up to now is 162.5 secs Computing kpt #: 268 total cpu time spent up to now is 163.1 secs Computing kpt #: 269 total cpu time spent up to now is 163.6 secs Computing kpt #: 270 total cpu time spent up to now is 164.1 secs Computing kpt #: 271 total cpu time spent up to now is 164.6 secs Computing kpt #: 272 total cpu time spent up to now is 165.1 secs Computing kpt #: 273 total cpu time spent up to now is 165.6 secs Computing kpt #: 274 total cpu time spent up to now is 166.0 secs Computing kpt #: 275 total cpu time spent up to now is 166.5 secs Computing kpt #: 276 total cpu time spent up to now is 167.0 secs Computing kpt #: 277 total cpu time spent up to now is 167.5 secs Computing kpt #: 278 total cpu time spent up to now is 168.0 secs Computing kpt #: 279 total cpu time spent up to now is 168.5 secs ethr = 2.50E-08, avg # of iterations = 23.6 total cpu time spent up to now is 168.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): 3.3580 3.3580 4.1626 4.1626 4.1793 4.1793 4.1793 4.1793 4.2115 4.2115 4.3958 4.3958 4.3958 4.3958 5.8144 5.8144 5.8144 5.8144 6.3821 6.3821 6.8213 6.8213 6.8213 6.8213 7.0198 7.0198 7.2577 7.2577 7.6472 7.6472 7.6472 7.6472 12.0594 12.0594 12.0594 12.0594 12.6648 12.6648 12.6648 12.6648 13.2444 13.2444 15.0566 15.0566 15.0566 15.0566 15.0762 15.0762 k = 0.0000 0.0139-0.0000 ( 3391 PWs) bands (ev): 3.3598 3.3598 4.1631 4.1631 4.1798 4.1798 4.1799 4.1799 4.2122 4.2122 4.3962 4.3962 4.3963 4.3963 5.8147 5.8147 5.8148 5.8148 6.3821 6.3821 6.8209 6.8209 6.8211 6.8211 7.0187 7.0187 7.2572 7.2572 7.6456 7.6456 7.6465 7.6465 12.0268 12.0268 12.0600 12.0600 12.6645 12.6645 12.6863 12.6863 13.2487 13.2487 15.0568 15.0568 15.0576 15.0576 15.0774 15.0774 k = 0.0000 0.0278-0.0000 ( 3371 PWs) bands (ev): 3.3652 3.3652 4.1647 4.1647 4.1814 4.1814 4.1816 4.1816 4.2143 4.2143 4.3973 4.3973 4.3977 4.3977 5.8154 5.8154 5.8160 5.8160 6.3820 6.3820 6.8197 6.8197 6.8203 6.8203 7.0157 7.0157 7.2556 7.2556 7.6409 7.6409 7.6443 7.6443 11.9409 11.9409 12.0616 12.0616 12.6634 12.6634 12.7386 12.7386 13.2619 13.2619 15.0572 15.0572 15.0609 15.0609 15.0817 15.0817 k = 0.0000 0.0417-0.0000 ( 3371 PWs) bands (ev): 3.3742 3.3742 4.1671 4.1671 4.1840 4.1840 4.1845 4.1845 4.2179 4.2179 4.3991 4.3991 4.4000 4.4000 5.8166 5.8166 5.8178 5.8178 6.3819 6.3819 6.8176 6.8176 6.8190 6.8190 7.0105 7.0105 7.2529 7.2529 7.6331 7.6331 7.6408 7.6408 11.8219 11.8219 12.0643 12.0643 12.6617 12.6617 12.8007 12.8007 13.2850 13.2850 15.0570 15.0570 15.0664 15.0664 15.0896 15.0896 k = 0.0000 0.0556-0.0000 ( 3363 PWs) bands (ev): 3.3867 3.3867 4.1705 4.1705 4.1877 4.1877 4.1885 4.1885 4.2228 4.2228 4.4016 4.4016 4.4033 4.4033 5.8182 5.8182 5.8205 5.8205 6.3817 6.3817 6.8148 6.8148 6.8171 6.8171 7.0033 7.0033 7.2491 7.2491 7.6223 7.6223 7.6360 7.6360 11.6829 11.6829 12.0680 12.0680 12.6591 12.6591 12.8583 12.8583 13.3191 13.3191 15.0559 15.0559 15.0743 15.0743 15.1017 15.1017 k = 0.0000 0.0694-0.0000 ( 3359 PWs) bands (ev): 3.4028 3.4028 4.1748 4.1748 4.1923 4.1923 4.1938 4.1938 4.2291 4.2291 4.4047 4.4047 4.4075 4.4075 5.8202 5.8202 5.8239 5.8239 6.3815 6.3815 6.8110 6.8110 6.8147 6.8147 6.9941 6.9941 7.2443 7.2443 7.6086 7.6086 7.6301 7.6301 11.5313 11.5313 12.0729 12.0729 12.6555 12.6555 12.9049 12.9049 13.3640 13.3640 15.0540 15.0540 15.0848 15.0848 15.1181 15.1181 k = 0.0000 0.0833-0.0000 ( 3359 PWs) bands (ev): 3.4224 3.4224 4.1798 4.1798 4.1979 4.1979 4.2003 4.2003 4.2368 4.2368 4.4086 4.4086 4.4126 4.4126 5.8227 5.8227 5.8280 5.8280 6.3812 6.3812 6.8064 6.8064 6.8116 6.8116 6.9828 6.9828 7.2384 7.2384 7.5923 7.5923 7.6231 7.6231 11.3709 11.3709 12.0788 12.0788 12.6507 12.6507 12.9388 12.9388 13.4176 13.4176 15.0515 15.0515 15.0981 15.0981 15.1388 15.1388 k = 0.0000 0.0972-0.0000 ( 3339 PWs) bands (ev): 3.4454 3.4454 4.1855 4.1855 4.2045 4.2045 4.2081 4.2081 4.2459 4.2459 4.4131 4.4131 4.4187 4.4187 5.8256 5.8256 5.8330 5.8330 6.3809 6.3809 6.8008 6.8008 6.8079 6.8079 6.9696 6.9696 7.2316 7.2316 7.5735 7.5735 7.6153 7.6153 11.2043 11.2043 12.0859 12.0859 12.6447 12.6447 12.9613 12.9613 13.4768 13.4768 15.0484 15.0484 15.1147 15.1147 15.1638 15.1638 k = 0.0000 0.1111-0.0000 ( 3335 PWs) bands (ev): 3.4718 3.4718 4.1918 4.1918 4.2119 4.2119 4.2172 4.2172 4.2563 4.2563 4.4182 4.4182 4.4257 4.4257 5.8287 5.8287 5.8386 5.8386 6.3805 6.3805 6.7943 6.7943 6.8034 6.8034 6.9545 6.9545 7.2237 7.2237 7.5525 7.5525 7.6068 7.6068 11.0331 11.0331 12.0940 12.0940 12.6373 12.6373 12.9746 12.9746 13.5384 13.5384 15.0447 15.0447 15.1347 15.1347 15.1934 15.1934 k = 0.0000 0.1250-0.0000 ( 3335 PWs) bands (ev): 3.5015 3.5015 4.1987 4.1987 4.2202 4.2202 4.2274 4.2274 4.2680 4.2680 4.4239 4.4239 4.4337 4.4337 5.8322 5.8322 5.8451 5.8451 6.3801 6.3801 6.7867 6.7867 6.7981 6.7981 6.9377 6.9377 7.2148 7.2148 7.5295 7.5295 7.5978 7.5978 10.8585 10.8585 12.1034 12.1034 12.6284 12.6284 12.9806 12.9806 13.5998 13.5998 15.0406 15.0406 15.1584 15.1584 15.2275 15.2275 k = 0.0000 0.1389-0.0000 ( 3327 PWs) bands (ev): 3.5343 3.5343 4.2062 4.2062 4.2292 4.2292 4.2388 4.2388 4.2811 4.2811 4.4301 4.4301 4.4427 4.4427 5.8360 5.8360 5.8524 5.8524 6.3796 6.3796 6.7779 6.7779 6.7920 6.7920 6.9193 6.9193 7.2050 7.2050 7.5049 7.5049 7.5884 7.5884 10.6815 10.6815 12.1138 12.1138 12.6178 12.6178 12.9808 12.9808 13.6595 13.6595 15.0361 15.0361 15.1862 15.1862 15.2659 15.2659 k = 0.0000 0.1528-0.0000 ( 3327 PWs) bands (ev): 3.5702 3.5702 4.2142 4.2142 4.2389 4.2389 4.2513 4.2513 4.2955 4.2955 4.4369 4.4369 4.4527 4.4527 5.8400 5.8400 5.8604 5.8604 6.3791 6.3791 6.7677 6.7677 6.7849 6.7849 6.8997 6.8997 7.1943 7.1943 7.4790 7.4790 7.5789 7.5789 10.5029 10.5029 12.1254 12.1254 12.6056 12.6056 12.9761 12.9761 13.7167 13.7167 15.0313 15.0313 15.2182 15.2182 15.3083 15.3083 k = 0.0000 0.1667-0.0000 ( 3339 PWs) bands (ev): 3.6091 3.6091 4.2226 4.2226 4.2493 4.2493 4.2647 4.2647 4.3111 4.3111 4.4441 4.4441 4.4638 4.4638 5.8441 5.8441 5.8693 5.8693 6.3784 6.3784 6.7559 6.7559 6.7768 6.7768 6.8793 6.8793 7.1826 7.1826 7.4521 7.4521 7.5694 7.5694 10.3233 10.3233 12.1382 12.1382 12.5918 12.5918 12.9672 12.9672 13.7709 13.7709 15.0261 15.0261 15.2548 15.2548 15.3536 15.3536 k = 0.0000 0.1806-0.0000 ( 3347 PWs) bands (ev): 3.6506 3.6506 4.2314 4.2314 4.2603 4.2603 4.2792 4.2792 4.3280 4.3280 4.4517 4.4517 4.4761 4.4761 5.8484 5.8484 5.8789 5.8789 6.3777 6.3777 6.7419 6.7419 6.7675 6.7675 6.8586 6.8586 7.1701 7.1701 7.4246 7.4246 7.5601 7.5601 10.1432 10.1432 12.1521 12.1521 12.5764 12.5764 12.9545 12.9545 13.8220 13.8220 15.0207 15.0207 15.2960 15.2960 15.3991 15.3991 k = 0.0000 0.1944-0.0000 ( 3347 PWs) bands (ev): 3.6946 3.6946 4.2407 4.2407 4.2718 4.2718 4.2945 4.2945 4.3460 4.3460 4.4597 4.4597 4.4898 4.4898 5.8527 5.8527 5.8894 5.8894 6.3769 6.3769 6.7254 6.7254 6.7571 6.7571 6.8383 6.8383 7.1565 7.1565 7.3969 7.3969 7.5509 7.5509 9.9633 9.9633 12.1672 12.1672 12.5597 12.5597 12.9386 12.9386 13.8699 13.8699 15.0151 15.0151 15.3420 15.3420 15.4377 15.4377 k = 0.0000 0.2083-0.0000 ( 3355 PWs) bands (ev): 3.7408 3.7408 4.2502 4.2502 4.2837 4.2837 4.3106 4.3106 4.3651 4.3651 4.4680 4.4680 4.5049 4.5049 5.8570 5.8570 5.9007 5.9007 6.3760 6.3760 6.7058 6.7058 6.7453 6.7453 6.8191 6.8191 7.1420 7.1420 7.3694 7.3694 7.5421 7.5421 9.7839 9.7839 12.1833 12.1833 12.5418 12.5418 12.9198 12.9198 13.9148 13.9148 15.0092 15.0092 15.3928 15.3928 15.4483 15.4483 k = 0.0000 0.2222-0.0000 ( 3359 PWs) bands (ev): 3.7889 3.7889 4.2599 4.2599 4.2960 4.2960 4.3274 4.3274 4.3853 4.3853 4.4765 4.4765 4.5219 4.5219 5.8612 5.8612 5.9128 5.9128 6.3751 6.3751 6.6829 6.6829 6.7323 6.7323 6.8015 6.8015 7.1264 7.1264 7.3427 7.3427 7.5337 7.5337 9.6055 9.6055 12.2003 12.2003 12.5230 12.5230 12.8986 12.8986 13.9568 13.9568 15.0033 15.0033 15.3999 15.3999 15.4484 15.4484 k = 0.0000 0.2361-0.0000 ( 3351 PWs) bands (ev): 3.8384 3.8384 4.2699 4.2699 4.3084 4.3084 4.3448 4.3448 4.4063 4.4063 4.4851 4.4851 4.5410 4.5410 5.8653 5.8653 5.9257 5.9257 6.3740 6.3740 6.6569 6.6569 6.7180 6.7180 6.7857 6.7857 7.1096 7.1096 7.3170 7.3170 7.5257 7.5257 9.4284 9.4284 12.2181 12.2181 12.5039 12.5039 12.8753 12.8753 13.9959 13.9959 14.9973 14.9973 15.3036 15.3036 15.5086 15.5086 k = 0.0000 0.2500-0.0000 ( 3367 PWs) bands (ev): 3.8888 3.8888 4.2800 4.2800 4.3210 4.3210 4.3626 4.3626 4.4278 4.4278 4.4939 4.4939 4.5627 4.5627 5.8692 5.8692 5.9394 5.9394 6.3728 6.3728 6.6279 6.6279 6.7024 6.7024 6.7716 6.7716 7.0916 7.0916 7.2930 7.2930 7.5182 7.5182 9.2531 9.2531 12.2362 12.2362 12.4850 12.4850 12.8505 12.8505 14.0324 14.0324 14.9912 14.9912 15.1887 15.1887 15.5732 15.5732 k = 0.0000 0.2639-0.0000 ( 3363 PWs) bands (ev): 3.9395 3.9395 4.2901 4.2901 4.3337 4.3337 4.3808 4.3808 4.4498 4.4498 4.5027 4.5027 4.5877 4.5877 5.8728 5.8728 5.9538 5.9538 6.3714 6.3714 6.5965 6.5965 6.6856 6.6856 6.7591 6.7591 7.0721 7.0721 7.2708 7.2708 7.5111 7.5111 9.0799 9.0799 12.2541 12.2541 12.4672 12.4672 12.8244 12.8244 14.0663 14.0663 14.9850 14.9850 15.0685 15.0685 15.6421 15.6421 k = 0.0000 0.2778-0.0000 ( 3359 PWs) bands (ev): 3.9897 3.9897 4.3002 4.3002 4.3463 4.3463 4.3992 4.3992 4.4717 4.4717 4.5114 4.5114 4.6167 4.6167 5.8760 5.8760 5.9690 5.9690 6.3699 6.3699 6.5633 6.5633 6.6677 6.6677 6.7479 6.7479 7.0513 7.0513 7.2508 7.2508 7.5046 7.5046 8.9091 8.9091 12.2704 12.2704 12.4521 12.4521 12.7975 12.7975 14.0977 14.0977 14.9462 14.9462 14.9803 14.9803 15.7149 15.7149 k = 0.0000 0.2917-0.0000 ( 3370 PWs) bands (ev): 4.0388 4.0388 4.3102 4.3102 4.3587 4.3587 4.4177 4.4177 4.4934 4.4934 4.5200 4.5200 4.6505 4.6505 5.8788 5.8788 5.9848 5.9848 6.3682 6.3682 6.5286 6.5286 6.6490 6.6490 6.7381 6.7381 7.0290 7.0290 7.2331 7.2331 7.4985 7.4985 8.7411 8.7411 12.2830 12.2830 12.4421 12.4421 12.7703 12.7703 14.1267 14.1267 14.8269 14.8269 14.9738 14.9738 15.7911 15.7911 k = 0.0000 0.3056-0.0000 ( 3370 PWs) bands (ev): 4.0859 4.0859 4.3201 4.3201 4.3710 4.3710 4.4361 4.4361 4.5144 4.5144 4.5285 4.5285 4.6897 4.6897 5.8811 5.8811 6.0013 6.0013 6.3662 6.3662 6.4927 6.4927 6.6298 6.6298 6.7295 6.7295 7.0056 7.0056 7.2177 7.2177 7.4929 7.4929 8.5764 8.5764 12.2893 12.2893 12.4400 12.4400 12.7430 12.7430 14.1536 14.1536 14.7095 14.7095 14.9681 14.9681 15.8703 15.8703 k = 0.0000 0.3194-0.0000 ( 3354 PWs) bands (ev): 4.1303 4.1303 4.3298 4.3298 4.3830 4.3830 4.4543 4.4543 4.5346 4.5346 4.5367 4.5367 4.7350 4.7350 5.8830 5.8830 6.0183 6.0183 6.3640 6.3640 6.4559 6.4559 6.6103 6.6103 6.7222 6.7222 6.9812 6.9812 7.2045 7.2045 7.4877 7.4877 8.4153 8.4153 12.2877 12.2877 12.4478 12.4478 12.7161 12.7161 14.1783 14.1783 14.5951 14.5951 14.9626 14.9626 15.9520 15.9520 k = 0.0000 0.3333-0.0000 ( 3354 PWs) bands (ev): 4.1713 4.1713 4.3392 4.3392 4.3945 4.3945 4.4720 4.4720 4.5448 4.5448 4.5540 4.5540 4.7863 4.7863 5.8842 5.8842 6.0356 6.0356 6.3615 6.3615 6.4183 6.4183 6.5909 6.5909 6.7164 6.7164 6.9561 6.9561 7.1933 7.1933 7.4828 7.4828 8.2583 8.2583 12.2791 12.2791 12.4646 12.4646 12.6898 12.6898 14.2009 14.2009 14.4843 14.4843 14.9573 14.9573 16.0354 16.0354 k = 0.0000 0.3472-0.0000 ( 3354 PWs) bands (ev): 4.2085 4.2085 4.3482 4.3482 4.4057 4.4057 4.4889 4.4889 4.5526 4.5526 4.5725 4.5725 4.8438 4.8438 5.8849 5.8849 6.0532 6.0532 6.3588 6.3588 6.3800 6.3800 6.5721 6.5721 6.7122 6.7122 6.9306 6.9306 7.1838 7.1838 7.4781 7.4781 8.1061 8.1061 12.2661 12.2661 12.4878 12.4878 12.6646 12.6646 14.2215 14.2215 14.3776 14.3776 14.9524 14.9524 16.1200 16.1200 k = 0.0000 0.3611-0.0000 ( 3350 PWs) bands (ev): 4.2417 4.2417 4.3567 4.3567 4.4164 4.4164 4.5049 4.5049 4.5603 4.5603 4.5900 4.5900 4.9070 4.9070 5.8851 5.8851 6.0707 6.0707 6.3411 6.3411 6.3557 6.3557 6.5541 6.5541 6.7100 6.7100 6.9051 6.9051 7.1759 7.1759 7.4735 7.4735 7.9593 7.9593 12.2512 12.2512 12.5154 12.5154 12.6406 12.6406 14.2401 14.2401 14.2755 14.2755 14.9477 14.9477 16.2048 16.2048 k = 0.0000 0.3750-0.0000 ( 3358 PWs) bands (ev): 4.2707 4.2707 4.3647 4.3647 4.4265 4.4265 4.5195 4.5195 4.5679 4.5679 4.6065 4.6065 4.9754 4.9754 5.8847 5.8847 6.0880 6.0880 6.3012 6.3012 6.3524 6.3524 6.5374 6.5374 6.7100 6.7100 6.8799 6.8799 7.1693 7.1693 7.4683 7.4683 7.8190 7.8190 12.2356 12.2356 12.5457 12.5457 12.6181 12.6181 14.1784 14.1784 14.2569 14.2569 14.9434 14.9434 16.2889 16.2889 k = 0.0000 0.3889-0.0000 ( 3354 PWs) bands (ev): 4.2958 4.2958 4.3722 4.3722 4.4361 4.4361 4.5325 4.5325 4.5756 4.5756 4.6218 4.6218 5.0480 5.0480 5.8839 5.8839 6.1048 6.1048 6.2603 6.2603 6.3491 6.3491 6.5224 6.5224 6.7126 6.7126 6.8552 6.8552 7.1639 7.1639 7.4612 7.4612 7.6874 7.6874 12.2204 12.2204 12.5778 12.5778 12.5974 12.5974 14.0869 14.0869 14.2719 14.2719 14.9394 14.9394 16.3712 16.3712 k = 0.0000 0.4028-0.0000 ( 3370 PWs) bands (ev): 4.3170 4.3170 4.3789 4.3789 4.4449 4.4449 4.5436 4.5436 4.5834 4.5834 4.6359 4.6359 5.1239 5.1239 5.8827 5.8827 6.1206 6.1206 6.2181 6.2181 6.3458 6.3458 6.5091 6.5091 6.7183 6.7183 6.8316 6.8316 7.1594 7.1594 7.4455 7.4455 7.5718 7.5718 12.2062 12.2062 12.5787 12.5787 12.6107 12.6107 14.0016 14.0016 14.2850 14.2850 14.9358 14.9358 16.4504 16.4504 k = 0.0000 0.4167-0.0000 ( 3370 PWs) bands (ev): 4.3348 4.3348 4.3850 4.3850 4.4529 4.4529 4.5525 4.5525 4.5912 4.5912 4.6487 4.6487 5.2017 5.2017 5.8814 5.8814 6.1350 6.1350 6.1744 6.1744 6.3429 6.3429 6.4978 6.4978 6.7276 6.7276 6.8094 6.8094 7.1558 7.1558 7.3922 7.3922 7.5023 7.5023 12.1932 12.1932 12.5621 12.5621 12.6435 12.6435 13.9233 13.9233 14.2964 14.2964 14.9327 14.9327 16.5250 16.5250 k = 0.0000 0.4306-0.0000 ( 3362 PWs) bands (ev): 4.3492 4.3492 4.3902 4.3902 4.4601 4.4601 4.5595 4.5595 4.5989 4.5989 4.6598 4.6598 5.2800 5.2800 5.8800 5.8800 6.1290 6.1290 6.1476 6.1476 6.3406 6.3406 6.4885 6.4885 6.7413 6.7413 6.7892 6.7892 7.1529 7.1529 7.2983 7.2983 7.4826 7.4826 12.1819 12.1819 12.5478 12.5478 12.6753 12.6753 13.8531 13.8531 14.3060 14.3060 14.9300 14.9300 16.5933 16.5933 k = 0.0000 0.4444-0.0000 ( 3370 PWs) bands (ev): 4.3606 4.3606 4.3946 4.3946 4.4662 4.4662 4.5647 4.5647 4.6058 4.6058 4.6692 4.6692 5.3566 5.3566 5.8788 5.8788 6.0822 6.0822 6.1582 6.1582 6.3391 6.3391 6.4811 6.4811 6.7599 6.7599 6.7714 6.7714 7.1507 7.1507 7.2015 7.2015 7.4759 7.4759 12.1723 12.1723 12.5360 12.5360 12.7046 12.7046 13.7922 13.7922 14.3138 14.3138 14.9278 14.9278 16.6534 16.6534 k = 0.0000 0.4583-0.0000 ( 3378 PWs) bands (ev): 4.3692 4.3692 4.3980 4.3980 4.4711 4.4711 4.5685 4.5685 4.6117 4.6117 4.6767 4.6767 5.4284 5.4284 5.8782 5.8782 6.0352 6.0352 6.1663 6.1663 6.3383 6.3383 6.4755 6.4755 6.7567 6.7567 6.7846 6.7846 7.1121 7.1121 7.1490 7.1490 7.4726 7.4726 12.1648 12.1648 12.5266 12.5266 12.7302 12.7302 13.7421 13.7421 14.3199 14.3199 14.9261 14.9261 16.7031 16.7031 k = 0.0000 0.4722-0.0000 ( 3378 PWs) bands (ev): 4.3752 4.3752 4.4005 4.4005 4.4747 4.4747 4.5711 4.5711 4.6161 4.6161 4.6822 4.6822 5.4907 5.4907 5.8786 5.8786 5.9910 5.9910 6.1721 6.1721 6.3382 6.3382 6.4716 6.4716 6.7457 6.7457 6.8162 6.8162 7.0325 7.0325 7.1479 7.1479 7.4708 7.4708 12.1593 12.1593 12.5199 12.5199 12.7502 12.7502 13.7046 13.7046 14.3243 14.3243 14.9248 14.9248 16.7405 16.7405 k = 0.0000 0.4861-0.0000 ( 3378 PWs) bands (ev): 4.3787 4.3787 4.4021 4.4021 4.4769 4.4769 4.5726 4.5726 4.6188 4.6188 4.6855 4.6855 5.5354 5.5354 5.8803 5.8803 5.9560 5.9560 6.1755 6.1755 6.3383 6.3383 6.4693 6.4693 6.7388 6.7388 6.8556 6.8556 6.9637 6.9637 7.1472 7.1472 7.4698 7.4698 12.1560 12.1560 12.5158 12.5158 12.7630 12.7630 13.6812 13.6812 14.3269 14.3269 14.9241 14.9241 16.7638 16.7638 k = 0.0000 0.5000-0.0000 ( 3362 PWs) bands (ev): 4.3799 4.3799 4.4026 4.4026 4.4777 4.4777 4.5731 4.5731 4.6198 4.6198 4.6866 4.6866 5.5522 5.5522 5.8819 5.8819 5.9416 5.9416 6.1766 6.1766 6.3384 6.3384 6.4686 6.4686 6.7365 6.7365 6.8984 6.8984 6.9110 6.9110 7.1470 7.1470 7.4695 7.4695 12.1548 12.1548 12.5145 12.5145 12.7674 12.7674 13.6732 13.6732 14.3278 14.3278 14.9238 14.9238 16.7717 16.7717 k = 0.0000 0.5000-0.0000 ( 3362 PWs) bands (ev): 4.3799 4.3799 4.4026 4.4026 4.4777 4.4777 4.5731 4.5731 4.6198 4.6198 4.6866 4.6866 5.5522 5.5522 5.8819 5.8819 5.9416 5.9416 6.1766 6.1766 6.3384 6.3384 6.4686 6.4686 6.7365 6.7365 6.8984 6.8984 6.9110 6.9110 7.1470 7.1470 7.4695 7.4695 12.1548 12.1548 12.5145 12.5145 12.7674 12.7674 13.6732 13.6732 14.3278 14.3278 14.9238 14.9238 16.7717 16.7717 k = 0.0139 0.5000-0.0000 ( 3378 PWs) bands (ev): 4.3806 4.3806 4.4029 4.4029 4.4780 4.4780 4.5730 4.5730 4.6198 4.6198 4.6866 4.6866 5.5518 5.5518 5.8821 5.8821 5.9416 5.9416 6.1768 6.1768 6.3384 6.3384 6.4690 6.4690 6.7367 6.7367 6.8933 6.8933 6.9169 6.9169 7.1485 7.1485 7.4682 7.4682 12.1495 12.1495 12.5069 12.5069 12.7655 12.7655 13.6879 13.6879 14.3288 14.3288 14.9162 14.9162 16.7658 16.7658 k = 0.0278 0.5000-0.0000 ( 3378 PWs) bands (ev): 4.3828 4.3828 4.4039 4.4039 4.4788 4.4788 4.5728 4.5728 4.6200 4.6200 4.6867 4.6867 5.5508 5.5508 5.8826 5.8826 5.9414 5.9414 6.1776 6.1776 6.3385 6.3385 6.4704 6.4704 6.7372 6.7372 6.8852 6.8852 6.9271 6.9271 7.1532 7.1532 7.4643 7.4643 12.1324 12.1324 12.4869 12.4869 12.7602 12.7602 13.7301 13.7301 14.3318 14.3318 14.8939 14.8939 16.7455 16.7455 k = 0.0417 0.5000-0.0000 ( 3378 PWs) bands (ev): 4.3864 4.3864 4.4055 4.4055 4.4803 4.4803 4.5725 4.5725 4.6203 4.6203 4.6867 4.6867 5.5491 5.5491 5.8834 5.8834 5.9412 5.9412 6.1788 6.1788 6.3388 6.3388 6.4726 6.4726 6.7379 6.7379 6.8773 6.8773 6.9383 6.9383 7.1614 7.1614 7.4578 7.4578 12.1001 12.1001 12.4618 12.4618 12.7519 12.7519 13.7950 13.7950 14.3368 14.3368 14.8580 14.8580 16.7037 16.7037 k = 0.0556 0.5000-0.0000 ( 3374 PWs) bands (ev): 4.3913 4.3913 4.4079 4.4079 4.4823 4.4823 4.5721 4.5721 4.6208 4.6208 4.6867 4.6867 5.5470 5.5470 5.8846 5.8846 5.9410 5.9410 6.1805 6.1805 6.3396 6.3396 6.4755 6.4755 6.7386 6.7386 6.8698 6.8698 6.9500 6.9500 7.1733 7.1733 7.4489 7.4489 12.0496 12.0496 12.4396 12.4396 12.7411 12.7411 13.8770 13.8770 14.3440 14.3440 14.8103 14.8103 16.6351 16.6351 k = 0.0694 0.5000-0.0000 ( 3364 PWs) bands (ev): 4.3974 4.3974 4.4108 4.4108 4.4849 4.4849 4.5715 4.5715 4.6214 4.6214 4.6867 4.6867 5.5446 5.5446 5.8862 5.8862 5.9409 5.9409 6.1824 6.1824 6.3411 6.3411 6.4788 6.4788 6.7393 6.7393 6.8625 6.8625 6.9619 6.9619 7.1894 7.1894 7.4375 7.4375 11.9804 11.9804 12.4251 12.4251 12.7279 12.7279 13.9710 13.9710 14.3535 14.3535 14.7528 14.7528 16.5403 16.5403 k = 0.0833 0.5000-0.0000 ( 3364 PWs) bands (ev): 4.4048 4.4048 4.4144 4.4144 4.4880 4.4880 4.5707 4.5707 4.6223 4.6223 4.6867 4.6867 5.5420 5.5420 5.8880 5.8880 5.9409 5.9409 6.1844 6.1844 6.3437 6.3437 6.4825 6.4825 6.7396 6.7396 6.8554 6.8554 6.9736 6.9736 7.2100 7.2100 7.4239 7.4239 11.8953 11.8953 12.4189 12.4189 12.7119 12.7119 14.0727 14.0727 14.3658 14.3658 14.6874 14.6874 16.4259 16.4259 k = 0.0972 0.5000-0.0000 ( 3368 PWs) bands (ev): 4.4131 4.4131 4.4187 4.4187 4.4916 4.4916 4.5697 4.5697 4.6234 4.6234 4.6866 4.6866 5.5395 5.5395 5.8902 5.8902 5.9411 5.9411 6.1865 6.1865 6.3474 6.3474 6.4864 6.4864 6.7393 6.7393 6.8483 6.8483 6.9851 6.9851 7.2352 7.2352 7.4081 7.4081 11.7985 11.7985 12.4190 12.4190 12.6934 12.6934 14.1777 14.1777 14.3826 14.3826 14.6162 14.6162 16.2997 16.2997 k = 0.1111 0.5000-0.0000 ( 3364 PWs) bands (ev): 4.4217 4.4217 4.4241 4.4241 4.4957 4.4957 4.5685 4.5685 4.6247 4.6247 4.6865 4.6865 5.5374 5.5374 5.8926 5.8926 5.9417 5.9417 6.1885 6.1885 6.3524 6.3524 6.4905 6.4905 6.7385 6.7385 6.8409 6.8409 6.9963 6.9963 7.2653 7.2653 7.3905 7.3905 11.6934 11.6934 12.4228 12.4228 12.6724 12.6724 14.2774 14.2774 14.4103 14.4103 14.5409 14.5409 16.1683 16.1683 k = 0.1250 0.5000-0.0000 ( 3362 PWs) bands (ev): 4.4283 4.4283 4.4329 4.4329 4.5004 4.5004 4.5670 4.5670 4.6263 4.6263 4.6864 4.6864 5.5360 5.5360 5.8953 5.8953 5.9429 5.9429 6.1905 6.1905 6.3586 6.3586 6.4948 6.4948 6.7368 6.7368 6.8331 6.8331 7.0072 7.0072 7.2996 7.2996 7.3714 7.3714 11.5828 11.5828 12.4273 12.4273 12.6500 12.6500 14.3478 14.3478 14.4609 14.4609 14.4733 14.4733 16.0365 16.0365 k = 0.1389 0.5000-0.0000 ( 3366 PWs) bands (ev): 4.4343 4.4343 4.4431 4.4431 4.5055 4.5055 4.5653 4.5653 4.6281 4.6281 4.6862 4.6862 5.5354 5.5354 5.8982 5.8982 5.9447 5.9447 6.1924 6.1924 6.3661 6.3661 6.4993 6.4993 6.7344 6.7344 6.8246 6.8246 7.0179 7.0179 7.3331 7.3331 7.3563 7.3563 11.4687 11.4687 12.4284 12.4284 12.6288 12.6288 14.3615 14.3615 14.4059 14.4059 14.5693 14.5693 15.9079 15.9079 k = 0.1528 0.5000-0.0000 ( 3362 PWs) bands (ev): 4.4408 4.4408 4.4536 4.4536 4.5112 4.5112 4.5633 4.5633 4.6302 4.6302 4.6860 4.6860 5.5360 5.5360 5.9014 5.9014 5.9473 5.9473 6.1941 6.1941 6.3746 6.3746 6.5041 6.5041 6.7311 6.7311 6.8154 6.8154 7.0284 7.0284 7.3233 7.3233 7.3875 7.3875 11.3524 11.3524 12.4201 12.4201 12.6133 12.6133 14.2927 14.2927 14.4170 14.4170 14.6827 14.6827 15.7850 15.7850 k = 0.1667 0.5000-0.0000 ( 3356 PWs) bands (ev): 4.4478 4.4478 4.4641 4.4641 4.5175 4.5175 4.5611 4.5611 4.6325 4.6325 4.6857 4.6857 5.5381 5.5381 5.9048 5.9048 5.9509 5.9509 6.1957 6.1957 6.3839 6.3839 6.5092 6.5092 6.7270 6.7270 6.8053 6.8053 7.0388 7.0388 7.3002 7.3002 7.4351 7.4351 11.2351 11.2351 12.3966 12.3966 12.6082 12.6082 14.2124 14.2124 14.4361 14.4361 14.8003 14.8003 15.6698 15.6698 k = 0.1806 0.5000-0.0000 ( 3356 PWs) bands (ev): 4.4552 4.4552 4.4740 4.4740 4.5243 4.5243 4.5587 4.5587 4.6351 4.6351 4.6855 4.6855 5.5418 5.5418 5.9086 5.9086 5.9554 5.9554 6.1973 6.1973 6.3938 6.3938 6.5147 6.5147 6.7221 6.7221 6.7942 6.7942 7.0490 7.0490 7.2754 7.2754 7.4875 7.4875 11.1174 11.1174 12.3561 12.3561 12.6144 12.6144 14.1315 14.1315 14.4553 14.4553 14.9186 14.9186 15.5642 15.5642 k = 0.1944 0.5000-0.0000 ( 3364 PWs) bands (ev): 4.4631 4.4631 4.4832 4.4832 4.5318 4.5318 4.5562 4.5562 4.6378 4.6378 4.6852 4.6852 5.5475 5.5475 5.9127 5.9127 5.9609 5.9609 6.1988 6.1988 6.4040 6.4040 6.5206 6.5206 6.7164 6.7164 6.7823 6.7823 7.0588 7.0588 7.2496 7.2496 7.5440 7.5440 11.0002 11.0002 12.3007 12.3007 12.6292 12.6292 14.0513 14.0513 14.4741 14.4741 15.0356 15.0356 15.4700 15.4700 k = 0.2083 0.5000-0.0000 ( 3360 PWs) bands (ev): 4.4713 4.4713 4.4914 4.4914 4.5396 4.5396 4.5539 4.5539 4.6407 4.6407 4.6850 4.6850 5.5553 5.5553 5.9174 5.9174 5.9675 5.9675 6.2004 6.2004 6.4141 6.4141 6.5272 6.5272 6.7099 6.7099 6.7695 6.7695 7.0680 7.0680 7.2235 7.2235 7.6044 7.6044 10.8839 10.8839 12.2329 12.2329 12.6494 12.6494 13.9724 13.9724 14.4922 14.4922 15.1482 15.1482 15.3900 15.3900 k = 0.2222 0.5000-0.0000 ( 3344 PWs) bands (ev): 4.4798 4.4798 4.4984 4.4984 4.5459 4.5459 4.5535 4.5535 4.6437 4.6437 4.6849 4.6849 5.5654 5.5654 5.9226 5.9226 5.9750 5.9750 6.2019 6.2019 6.4237 6.4237 6.5346 6.5346 6.7027 6.7027 6.7559 6.7559 7.0762 7.0762 7.1975 7.1975 7.6684 7.6684 10.7691 10.7691 12.1547 12.1547 12.6729 12.6729 13.8952 13.8952 14.5089 14.5089 15.2399 15.2399 15.3405 15.3405 k = 0.2361 0.5000-0.0000 ( 3348 PWs) bands (ev): 4.4886 4.4886 4.5043 4.5043 4.5456 4.5456 4.5599 4.5599 4.6468 4.6468 4.6849 4.6849 5.5779 5.5779 5.9285 5.9285 5.9836 5.9836 6.2036 6.2036 6.4325 6.4325 6.5428 6.5428 6.6946 6.6946 6.7418 6.7418 7.0828 7.0828 7.1723 7.1723 7.7360 7.7360 10.6562 10.6562 12.0671 12.0671 12.6984 12.6984 13.8201 13.8201 14.5236 14.5236 15.2354 15.2354 15.3959 15.3959 k = 0.2500 0.5000-0.0000 ( 3344 PWs) bands (ev): 4.4976 4.4976 4.5091 4.5091 4.5432 4.5432 4.5686 4.5686 4.6499 4.6499 4.6850 4.6850 5.5930 5.5930 5.9351 5.9351 5.9930 5.9930 6.2052 6.2052 6.4400 6.4400 6.5520 6.5520 6.6853 6.6853 6.7276 6.7276 7.0861 7.0861 7.1497 7.1497 7.8070 7.8070 10.5456 10.5456 11.9712 11.9712 12.7250 12.7250 13.7473 13.7473 14.5358 14.5358 15.1977 15.1977 15.4917 15.4917 k = 0.2639 0.5000-0.0000 ( 3344 PWs) bands (ev): 4.5066 4.5066 4.5129 4.5129 4.5405 4.5405 4.5775 4.5775 4.6529 4.6529 4.6852 4.6852 5.6106 5.6106 5.9425 5.9425 6.0034 6.0034 6.2070 6.2070 6.4461 6.4461 6.5620 6.5620 6.6745 6.6745 6.7137 6.7137 7.0825 7.0825 7.1335 7.1335 7.8814 7.8814 10.4379 10.4379 11.8679 11.8679 12.7523 12.7523 13.6770 13.6770 14.5450 14.5450 15.1684 15.1684 15.5840 15.5840 k = 0.2778 0.5000-0.0000 ( 3348 PWs) bands (ev): 4.5149 4.5149 4.5160 4.5160 4.5384 4.5384 4.5860 4.5860 4.6558 4.6558 4.6855 4.6855 5.6308 5.6308 5.9506 5.9506 6.0146 6.0146 6.2089 6.2089 6.4504 6.4504 6.5729 6.5729 6.6617 6.6617 6.7011 6.7011 7.0688 7.0688 7.1268 7.1268 7.9590 7.9590 10.3334 10.3334 11.7581 11.7581 12.7796 12.7796 13.6095 13.6095 14.5510 14.5510 15.1507 15.1507 15.6664 15.6664 k = 0.2917 0.5000-0.0000 ( 3352 PWs) bands (ev): 4.5171 4.5171 4.5228 4.5228 4.5380 4.5380 4.5941 4.5941 4.6585 4.6585 4.6861 4.6861 5.6534 5.6534 5.9596 5.9596 6.0267 6.0267 6.2109 6.2109 6.4527 6.4527 6.5843 6.5843 6.6465 6.6465 6.6901 6.6901 7.0490 7.0490 7.1258 7.1258 8.0399 8.0399 10.2325 10.2325 11.6425 11.6425 12.8068 12.8068 13.5451 13.5451 14.5539 14.5539 15.1443 15.1443 15.7353 15.7353 k = 0.3056 0.5000-0.0000 ( 3352 PWs) bands (ev): 4.5175 4.5175 4.5267 4.5267 4.5417 4.5417 4.6017 4.6017 4.6610 4.6610 4.6867 4.6867 5.6782 5.6782 5.9694 5.9694 6.0396 6.0396 6.2131 6.2131 6.4530 6.4530 6.5957 6.5957 6.6292 6.6292 6.6813 6.6813 7.0275 7.0275 7.1262 7.1262 8.1240 8.1240 10.1356 10.1356 11.5221 11.5221 12.8334 12.8334 13.4838 13.4838 14.5544 14.5544 15.1479 15.1479 15.7886 15.7886 k = 0.3194 0.5000-0.0000 ( 3348 PWs) bands (ev): 4.5166 4.5166 4.5274 4.5274 4.5493 4.5493 4.6086 4.6086 4.6631 4.6631 4.6875 4.6875 5.7049 5.7049 5.9800 5.9800 6.0533 6.0533 6.2154 6.2154 6.4512 6.4512 6.6059 6.6059 6.6105 6.6105 6.6751 6.6751 7.0063 7.0063 7.1262 7.1262 8.2111 8.2111 10.0432 10.0432 11.3977 11.3977 12.8592 12.8592 13.4259 13.4259 14.5531 14.5531 15.1599 15.1599 15.8257 15.8257 k = 0.3333 0.5000-0.0000 ( 3352 PWs) bands (ev): 4.5148 4.5148 4.5273 4.5273 4.5581 4.5581 4.6149 4.6149 4.6649 4.6649 4.6883 4.6883 5.7334 5.7334 5.9913 5.9913 6.0678 6.0678 6.2180 6.2180 6.4472 6.4472 6.5893 6.5893 6.6148 6.6148 6.6725 6.6725 6.9863 6.9863 7.1250 7.1250 8.3012 8.3012 9.9557 9.9557 11.2702 11.2702 12.8840 12.8840 13.3717 13.3717 14.5507 14.5507 15.1784 15.1784 15.8477 15.8477 k = 0.3472 0.5000-0.0000 ( 3356 PWs) bands (ev): 4.5124 4.5124 4.5270 4.5270 4.5672 4.5672 4.6206 4.6206 4.6663 4.6663 4.6892 4.6892 5.7631 5.7631 6.0031 6.0031 6.0830 6.0830 6.2207 6.2207 6.4411 6.4411 6.5677 6.5677 6.6188 6.6188 6.6750 6.6750 6.9677 6.9677 7.1222 7.1222 8.3943 8.3943 9.8734 9.8734 11.1404 11.1404 12.9075 12.9075 13.3212 13.3212 14.5480 14.5480 15.2018 15.2018 15.8576 15.8576 k = 0.3611 0.5000-0.0000 ( 3352 PWs) bands (ev): 4.5098 4.5098 4.5266 4.5266 4.5762 4.5762 4.6258 4.6258 4.6674 4.6674 4.6900 4.6900 5.7937 5.7937 6.0155 6.0155 6.0989 6.0989 6.2237 6.2237 6.4330 6.4330 6.5452 6.5452 6.6185 6.6185 6.6826 6.6826 6.9509 6.9509 7.1178 7.1178 8.4901 8.4901 9.7968 9.7968 11.0090 11.0090 12.9295 12.9295 13.2746 13.2746 14.5452 14.5452 15.2286 15.2286 15.8583 15.8583 k = 0.3750 0.5000-0.0000 ( 3354 PWs) bands (ev): 4.5072 4.5072 4.5261 4.5261 4.5850 4.5850 4.6304 4.6304 4.6681 4.6681 4.6908 4.6908 5.8246 5.8246 6.0282 6.0282 6.1156 6.1156 6.2271 6.2271 6.4229 6.4229 6.5220 6.5220 6.6152 6.6152 6.6937 6.6937 6.9360 6.9360 7.1118 7.1118 8.5886 8.5886 9.7263 9.7263 10.8767 10.8767 12.9499 12.9499 13.2321 13.2321 14.5428 14.5428 15.2573 15.2573 15.8531 15.8531 k = 0.3889 0.5000-0.0000 ( 3354 PWs) bands (ev): 4.5046 4.5046 4.5255 4.5255 4.5934 4.5934 4.6344 4.6344 4.6684 4.6684 4.6914 4.6914 5.8552 5.8552 6.0410 6.0410 6.1329 6.1329 6.2308 6.2308 6.4111 6.4111 6.4984 6.4984 6.6105 6.6105 6.7065 6.7065 6.9230 6.9230 7.1042 7.1042 8.6895 8.6895 9.6622 9.6622 10.7443 10.7443 12.9685 12.9685 13.1939 13.1939 14.5407 14.5407 15.2867 15.2867 15.8442 15.8442 k = 0.4028 0.5000-0.0000 ( 3348 PWs) bands (ev): 4.5022 4.5022 4.5248 4.5248 4.6015 4.6015 4.6380 4.6380 4.6685 4.6685 4.6918 4.6918 5.8850 5.8850 6.0536 6.0536 6.1509 6.1509 6.2351 6.2351 6.3978 6.3978 6.4744 6.4744 6.6052 6.6052 6.7201 6.7201 6.9118 6.9118 7.0953 7.0953 8.7925 8.7925 9.6048 9.6048 10.6124 10.6124 12.9850 12.9850 13.1601 13.1601 14.5391 14.5391 15.3157 15.3157 15.8335 15.8335 k = 0.4167 0.5000-0.0000 ( 3344 PWs) bands (ev): 4.5001 4.5001 4.5240 4.5240 4.6090 4.6090 4.6411 4.6411 4.6682 4.6682 4.6921 4.6921 5.9131 5.9131 6.0658 6.0658 6.1694 6.1694 6.2400 6.2400 6.3834 6.3834 6.4502 6.4502 6.5999 6.5999 6.7338 6.7338 6.9026 6.9026 7.0854 7.0854 8.8972 8.8972 9.5545 9.5545 10.4820 10.4820 12.9993 12.9993 13.1308 13.1308 14.5379 14.5379 15.3433 15.3433 15.8224 15.8224 k = 0.4306 0.5000-0.0000 ( 3344 PWs) bands (ev): 4.4982 4.4982 4.5233 4.5233 4.6158 4.6158 4.6438 4.6438 4.6677 4.6677 4.6921 4.6921 5.9390 5.9390 6.0772 6.0772 6.1884 6.1884 6.2458 6.2458 6.3683 6.3683 6.4259 6.4259 6.5947 6.5947 6.7470 6.7470 6.8950 6.8950 7.0750 7.0750 9.0027 9.0027 9.5116 9.5116 10.3541 10.3541 13.0112 13.0112 13.1063 13.1063 14.5370 14.5370 15.3685 15.3685 15.8117 15.8117 k = 0.4444 0.5000-0.0000 ( 3352 PWs) bands (ev): 4.4966 4.4966 4.5227 4.5227 4.6219 4.6219 4.6460 4.6460 4.6670 4.6670 4.6920 4.6920 5.9617 5.9617 6.0873 6.0873 6.2075 6.2075 6.2528 6.2528 6.3529 6.3529 6.4018 6.4018 6.5900 6.5900 6.7592 6.7592 6.8890 6.8890 7.0647 7.0647 9.1076 9.1076 9.4765 9.4765 10.2302 10.2302 13.0202 13.0202 13.0870 13.0870 14.5365 14.5365 15.3905 15.3905 15.8023 15.8023 k = 0.4583 0.5000-0.0000 ( 3360 PWs) bands (ev): 4.4953 4.4953 4.5222 4.5222 4.6270 4.6270 4.6477 4.6477 4.6662 4.6662 4.6919 4.6919 5.9805 5.9805 6.0958 6.0958 6.2264 6.2264 6.2614 6.2614 6.3378 6.3378 6.3780 6.3780 6.5860 6.5860 6.7698 6.7698 6.8845 6.8845 7.0553 7.0553 9.2093 9.2093 9.4495 9.4495 10.1131 10.1131 13.0259 13.0259 13.0733 13.0733 14.5361 14.5361 15.4085 15.4085 15.7946 15.7946 k = 0.4722 0.5000-0.0000 ( 3350 PWs) bands (ev): 4.4944 4.4944 4.5218 4.5218 4.6310 4.6310 4.6489 4.6489 4.6654 4.6654 4.6917 4.6917 5.9946 5.9946 6.1023 6.1023 6.2434 6.2434 6.2725 6.2725 6.3240 6.3240 6.3549 6.3549 6.5830 6.5830 6.7782 6.7782 6.8813 6.8813 7.0476 7.0476 9.3012 9.3012 9.4318 9.4318 10.0084 10.0084 13.0280 13.0280 13.0656 13.0656 14.5359 14.5359 15.4218 15.4218 15.7888 15.7888 k = 0.4861 0.5000-0.0000 ( 3348 PWs) bands (ev): 4.4938 4.4938 4.5215 4.5215 4.6335 4.6335 4.6497 4.6497 4.6648 4.6648 4.6915 4.6915 6.0034 6.0034 6.1063 6.1063 6.2561 6.2561 6.2871 6.2871 6.3127 6.3127 6.3334 6.3334 6.5810 6.5810 6.7836 6.7836 6.8795 6.8795 7.0426 7.0426 9.3665 9.3665 9.4280 9.4280 9.9284 9.9284 13.0277 13.0277 13.0625 13.0625 14.5358 14.5358 15.4301 15.4301 15.7853 15.7853 k = 0.5000 0.5000-0.0000 ( 3348 PWs) bands (ev): 4.4936 4.4936 4.5214 4.5214 4.6344 4.6344 4.6500 4.6500 4.6645 4.6645 4.6914 4.6914 6.0064 6.0064 6.1077 6.1077 6.2610 6.2610 6.2997 6.2997 6.3060 6.3060 6.3206 6.3206 6.5804 6.5804 6.7854 6.7854 6.8789 6.8789 7.0408 7.0408 9.3847 9.3847 9.4357 9.4357 9.8963 9.8963 13.0273 13.0273 13.0618 13.0618 14.5358 14.5358 15.4328 15.4328 15.7841 15.7841 k = 0.5000 0.5000-0.0000 ( 3348 PWs) bands (ev): 4.4936 4.4936 4.5214 4.5214 4.6344 4.6344 4.6500 4.6500 4.6645 4.6645 4.6914 4.6914 6.0064 6.0064 6.1077 6.1077 6.2610 6.2610 6.2997 6.2997 6.3060 6.3060 6.3206 6.3206 6.5804 6.5804 6.7854 6.7854 6.8789 6.8789 7.0408 7.0408 9.3847 9.3847 9.4357 9.4357 9.8963 9.8963 13.0273 13.0273 13.0618 13.0618 14.5358 14.5358 15.4328 15.4328 15.7841 15.7841 k = 0.4902 0.4902-0.0000 ( 3348 PWs) bands (ev): 4.4938 4.4938 4.5215 4.5215 4.6335 4.6335 4.6497 4.6497 4.6648 4.6648 4.6915 4.6915 6.0034 6.0034 6.1063 6.1063 6.2552 6.2552 6.2903 6.2903 6.3092 6.3092 6.3345 6.3345 6.5810 6.5810 6.7836 6.7836 6.8795 6.8795 7.0426 7.0426 9.3683 9.3683 9.4262 9.4262 9.9284 9.9284 13.0278 13.0278 13.0624 13.0624 14.5358 14.5358 15.4301 15.4301 15.7853 15.7853 k = 0.4804 0.4804-0.0000 ( 3354 PWs) bands (ev): 4.4942 4.4942 4.5219 4.5219 4.6310 4.6310 4.6489 4.6489 4.6653 4.6653 4.6917 4.6917 5.9946 5.9946 6.1022 6.1022 6.2380 6.2380 6.2885 6.2885 6.3098 6.3098 6.3584 6.3584 6.5829 6.5829 6.7784 6.7784 6.8813 6.8813 7.0474 7.0474 9.3124 9.3124 9.4195 9.4195 10.0095 10.0095 13.0289 13.0289 13.0647 13.0647 14.5359 14.5359 15.4217 15.4217 15.7888 15.7888 k = 0.4706 0.4706-0.0000 ( 3348 PWs) bands (ev): 4.4945 4.4945 4.5229 4.5229 4.6271 4.6272 4.6477 4.6477 4.6659 4.6659 4.6920 4.6920 5.9804 5.9804 6.0955 6.0955 6.2161 6.2161 6.2937 6.2937 6.3101 6.3101 6.3836 6.3836 6.5858 6.5858 6.7709 6.7709 6.8845 6.8845 7.0543 7.0543 9.2355 9.2355 9.4198 9.4198 10.1172 10.1172 13.0297 13.0297 13.0695 13.0695 14.5361 14.5361 15.4078 15.4078 15.7946 15.7946 k = 0.4608 0.4608-0.0000 ( 3346 PWs) bands (ev): 4.4941 4.4941 4.5248 4.5248 4.6222 4.6222 4.6460 4.6460 4.6661 4.6661 4.6925 4.6925 5.9612 5.9612 6.0865 6.0865 6.1936 6.1936 6.3020 6.3020 6.3106 6.3106 6.4085 6.4085 6.5893 6.5893 6.7623 6.7623 6.8890 6.8890 7.0621 7.0621 9.1545 9.1545 9.4231 9.4231 10.2389 10.2389 13.0294 13.0294 13.0778 13.0778 14.5363 14.5363 15.3882 15.3882 15.8025 15.8025 k = 0.4510 0.4510-0.0000 ( 3342 PWs) bands (ev): 4.4927 4.4927 4.5281 4.5281 4.6164 4.6164 4.6438 4.6438 4.6658 4.6658 4.6930 4.6930 5.9373 5.9373 6.0754 6.0754 6.1720 6.1720 6.3093 6.3093 6.3142 6.3142 6.4325 6.4325 6.5928 6.5928 6.7541 6.7541 6.8950 6.8950 7.0693 7.0693 9.0769 9.0769 9.4281 9.4281 10.3688 10.3688 13.0274 13.0274 13.0900 13.0900 14.5366 14.5366 15.3631 15.3631 15.8123 15.8123 k = 0.4412 0.4412-0.0000 ( 3350 PWs) bands (ev): 4.4901 4.4901 4.5325 4.5325 4.6098 4.6098 4.6412 4.6412 4.6648 4.6648 4.6936 4.6936 5.9093 5.9093 6.0626 6.0626 6.1518 6.1518 6.3103 6.3103 6.3254 6.3254 6.4549 6.4549 6.5957 6.5957 6.7477 6.7477 6.9024 6.9024 7.0748 7.0748 9.0066 9.0066 9.4347 9.4347 10.5038 10.5038 13.0240 13.0240 13.1060 13.1060 14.5370 14.5370 15.3323 15.3323 15.8238 15.8238 k = 0.4314 0.4314-0.0000 ( 3357 PWs) bands (ev): 4.4862 4.4862 4.5380 4.5380 4.6026 4.6026 4.6382 4.6382 4.6630 4.6630 4.6940 4.6940 5.8772 5.8772 6.0487 6.0487 6.1329 6.1329 6.3105 6.3105 6.3380 6.3380 6.4756 6.4756 6.5974 6.5974 6.7443 6.7443 6.9114 6.9114 7.0777 7.0777 8.9459 8.9459 9.4428 9.4428 10.6420 10.6420 13.0195 13.0195 13.1254 13.1254 14.5375 14.5375 15.2962 15.2962 15.8366 15.8366 k = 0.4216 0.4216-0.0000 ( 3351 PWs) bands (ev): 4.4813 4.4813 4.5441 4.5441 4.5949 4.5949 4.6348 4.6348 4.6606 4.6606 4.6943 4.6943 5.8415 5.8415 6.0342 6.0342 6.1155 6.1155 6.3103 6.3103 6.3514 6.3514 6.4939 6.4939 6.5975 6.5975 6.7447 6.7447 6.9219 6.9219 7.0775 7.0775 8.8964 8.8964 9.4522 9.4522 10.7822 10.7822 13.0141 13.0141 13.1481 13.1481 14.5381 14.5381 15.2549 15.2549 15.8503 15.8503 k = 0.4118 0.4118-0.0000 ( 3353 PWs) bands (ev): 4.4753 4.4753 4.5504 4.5504 4.5865 4.5865 4.6309 4.6309 4.6575 4.6575 4.6942 4.6942 5.8020 5.8020 6.0200 6.0200 6.0994 6.0994 6.3096 6.3096 6.3653 6.3653 6.5096 6.5096 6.5960 6.5960 6.7492 6.7492 6.9338 6.9338 7.0739 7.0739 8.8592 8.8592 9.4632 9.4632 10.9234 10.9234 13.0079 13.0079 13.1738 13.1738 14.5388 14.5388 15.2091 15.2091 15.8645 15.8645 k = 0.4020 0.4020-0.0000 ( 3359 PWs) bands (ev): 4.4684 4.4684 4.5563 4.5563 4.5778 4.5778 4.6266 4.6266 4.6537 4.6537 4.6937 4.6937 5.7591 5.7591 6.0067 6.0067 6.0845 6.0845 6.3081 6.3081 6.3795 6.3795 6.5223 6.5223 6.5936 6.5936 6.7572 6.7572 6.9470 6.9470 7.0673 7.0673 8.8347 8.8347 9.4756 9.4756 11.0648 11.0648 13.0012 13.0012 13.2025 13.2025 14.5396 14.5396 15.1593 15.1593 15.8788 15.8788 k = 0.3922 0.3922-0.0000 ( 3359 PWs) bands (ev): 4.4606 4.4606 4.5609 4.5609 4.5695 4.5695 4.6219 4.6219 4.6494 4.6494 4.6927 4.6927 5.7127 5.7127 5.9950 5.9950 6.0706 6.0706 6.3057 6.3057 6.3939 6.3939 6.5318 6.5318 6.5912 6.5912 6.7683 6.7683 6.9613 6.9613 7.0586 7.0586 8.8231 8.8231 9.4897 9.4897 11.2056 11.2056 12.9941 12.9941 13.2340 13.2340 14.5406 14.5406 15.1064 15.1064 15.8928 15.8928 k = 0.3824 0.3824-0.0000 ( 3353 PWs) bands (ev): 4.4519 4.4519 4.5569 4.5569 4.5680 4.5680 4.6167 4.6167 4.6445 4.6445 4.6910 4.6910 5.6629 5.6629 5.9855 5.9855 6.0576 6.0576 6.3019 6.3019 6.4086 6.4086 6.5380 6.5380 6.5892 6.5892 6.7817 6.7817 6.9757 6.9757 7.0494 7.0494 8.8241 8.8241 9.5054 9.5054 11.3452 11.3452 12.9867 12.9867 13.2683 13.2683 14.5416 14.5416 15.0514 15.0514 15.9062 15.9062 k = 0.3725 0.3725-0.0000 ( 3353 PWs) bands (ev): 4.4423 4.4423 4.5472 4.5472 4.5703 4.5703 4.6110 4.6110 4.6393 4.6393 4.6885 4.6885 5.6099 5.6099 5.9789 5.9789 6.0455 6.0455 6.2966 6.2966 6.4233 6.4233 6.5414 6.5414 6.5880 6.5880 6.7967 6.7967 6.9883 6.9883 7.0428 7.0428 8.8372 8.8372 9.5227 9.5227 11.4827 11.4827 12.9791 12.9791 13.3051 13.3051 14.5427 14.5427 14.9952 14.9952 15.9185 15.9185 k = 0.3627 0.3627-0.0000 ( 3357 PWs) bands (ev): 4.4317 4.4317 4.5367 4.5367 4.5710 4.5710 4.6051 4.6051 4.6337 4.6337 4.6853 4.6853 5.5539 5.5539 5.9755 5.9755 6.0339 6.0339 6.2896 6.2896 6.4382 6.4382 6.5426 6.5426 6.5871 6.5871 6.8129 6.8129 6.9950 6.9950 7.0440 7.0440 8.8614 8.8614 9.5419 9.5419 11.6175 11.6175 12.9716 12.9716 13.3443 13.3443 14.5439 14.5439 14.9392 14.9392 15.9295 15.9295 k = 0.3529 0.3529-0.0000 ( 3353 PWs) bands (ev): 4.4203 4.4203 4.5256 4.5256 4.5692 4.5692 4.5988 4.5988 4.6280 4.6280 4.6813 4.6813 5.4951 5.4951 5.9758 5.9758 6.0230 6.0230 6.2808 6.2808 6.4529 6.4529 6.5426 6.5426 6.5865 6.5865 6.8296 6.8296 6.9944 6.9944 7.0553 7.0553 8.8960 8.8960 9.5630 9.5630 11.7489 11.7489 12.9643 12.9643 13.3858 13.3858 14.5450 14.5450 14.8844 14.8844 15.9393 15.9393 k = 0.3431 0.3431-0.0000 ( 3357 PWs) bands (ev): 4.4078 4.4078 4.5142 4.5142 4.5645 4.5645 4.5923 4.5923 4.6221 4.6221 4.6763 4.6763 5.4340 5.4340 5.9799 5.9799 6.0127 6.0127 6.2701 6.2701 6.4673 6.4673 6.5419 6.5419 6.5863 6.5863 6.8466 6.8466 6.9914 6.9914 7.0728 7.0728 8.9399 8.9399 9.5861 9.5861 11.8759 11.8759 12.9574 12.9574 13.4296 13.4296 14.5460 14.5460 14.8323 14.8323 15.9476 15.9476 k = 0.3333 0.3333-0.0000 ( 3347 PWs) bands (ev): 4.3943 4.3943 4.5024 4.5024 4.5572 4.5572 4.5851 4.5851 4.6160 4.6160 4.6704 4.6704 5.3711 5.3711 5.9872 5.9872 6.0034 6.0034 6.2576 6.2576 6.4807 6.4807 6.5415 6.5415 6.5867 6.5867 6.8635 6.8635 6.9898 6.9898 7.0929 7.0929 8.9923 8.9923 9.6113 9.6113 11.9977 11.9977 12.9511 12.9511 13.4753 13.4753 14.5466 14.5466 14.7840 14.7840 15.9547 15.9547 k = 0.3235 0.3235-0.0000 ( 3353 PWs) bands (ev): 4.3796 4.3796 4.4902 4.4902 4.5475 4.5475 4.5772 4.5772 4.6096 4.6096 4.6635 4.6635 5.3067 5.3067 5.9896 5.9896 6.0032 6.0032 6.2435 6.2435 6.4916 6.4916 6.5427 6.5427 6.5884 6.5884 6.8799 6.8799 6.9913 6.9913 7.1143 7.1143 9.0524 9.0524 9.6387 9.6387 12.1133 12.1133 12.9456 12.9456 13.5228 13.5228 14.5465 14.5465 14.7411 14.7411 15.9606 15.9606 k = 0.3137 0.3137-0.0000 ( 3353 PWs) bands (ev): 4.3635 4.3635 4.4778 4.4778 4.5357 4.5357 4.5683 4.5683 4.6027 4.6027 4.6557 4.6557 5.2416 5.2416 5.9814 5.9814 6.0176 6.0176 6.2283 6.2283 6.4980 6.4980 6.5479 6.5479 6.5915 6.5915 6.8955 6.8955 6.9963 6.9963 7.1366 7.1366 9.1195 9.1195 9.6685 9.6685 12.2217 12.2217 12.9412 12.9412 13.5720 13.5720 14.5455 14.5455 14.7050 14.7050 15.9655 15.9655 k = 0.3039 0.3039-0.0000 ( 3347 PWs) bands (ev): 4.3460 4.3460 4.4650 4.4650 4.5221 4.5221 4.5584 4.5584 4.5953 4.5953 4.6469 4.6469 5.1763 5.1763 5.9722 5.9722 6.0361 6.0361 6.2126 6.2126 6.4994 6.4994 6.5581 6.5581 6.5962 6.5962 6.9105 6.9105 7.0049 7.0049 7.1593 7.1593 9.1928 9.1928 9.7007 9.7007 12.3217 12.3217 12.9384 12.9384 13.6227 13.6227 14.5428 14.5428 14.6772 14.6772 15.9696 15.9696 k = 0.2941 0.2941-0.0000 ( 3339 PWs) bands (ev): 4.3266 4.3266 4.4521 4.4521 4.5068 4.5068 4.5476 4.5476 4.5871 4.5871 4.6370 4.6370 5.1116 5.1116 5.9630 5.9630 6.0566 6.0566 6.1975 6.1975 6.4976 6.4976 6.5716 6.5716 6.6023 6.6023 6.9248 6.9248 7.0166 7.0166 7.1823 7.1823 9.2718 9.2718 9.7356 9.7356 12.4120 12.4120 12.9375 12.9375 13.6746 13.6746 14.5382 14.5382 14.6589 14.6589 15.9732 15.9732 k = 0.2843 0.2843-0.0000 ( 3339 PWs) bands (ev): 4.3051 4.3051 4.4389 4.4389 4.4902 4.4902 4.5359 4.5359 4.5783 4.5783 4.6262 4.6262 5.0482 5.0482 5.9540 5.9540 6.0765 6.0765 6.1855 6.1855 6.4948 6.4948 6.5868 6.5868 6.6098 6.6098 6.9387 6.9387 7.0310 7.0310 7.2054 7.2054 9.3559 9.3559 9.7732 9.7732 12.4914 12.4914 12.9392 12.9392 13.7276 13.7276 14.5320 14.5320 14.6505 14.6505 15.9766 15.9766 k = 0.2745 0.2745-0.0000 ( 3345 PWs) bands (ev): 4.2811 4.2811 4.4255 4.4255 4.4725 4.4725 4.5235 4.5235 4.5688 4.5688 4.6145 4.6145 4.9868 4.9868 5.9451 5.9451 6.0901 6.0901 6.1817 6.1817 6.4922 6.4922 6.6022 6.6022 6.6188 6.6188 6.9526 6.9526 7.0475 7.0475 7.2285 7.2285 9.4446 9.4446 9.8139 9.8139 12.5588 12.5588 12.9439 12.9439 13.7816 13.7816 14.5252 14.5252 14.6512 14.6512 15.9800 15.9800 k = 0.2647 0.2647-0.0000 ( 3341 PWs) bands (ev): 4.2542 4.2542 4.4120 4.4120 4.4541 4.4541 4.5103 4.5103 4.5588 4.5588 4.6018 4.6018 4.9281 4.9281 5.9363 5.9363 6.0912 6.0912 6.1921 6.1921 6.4908 6.4908 6.6167 6.6167 6.6301 6.6301 6.9667 6.9667 7.0656 7.0656 7.2514 7.2514 9.5374 9.5374 9.8577 9.8577 12.6134 12.6134 12.9519 12.9519 13.8363 13.8363 14.5185 14.5185 14.6605 14.6605 15.9837 15.9837 k = 0.2549 0.2549-0.0000 ( 3349 PWs) bands (ev): 4.2240 4.2240 4.3984 4.3984 4.4353 4.4353 4.4965 4.4965 4.5481 4.5481 4.5884 4.5884 4.8728 4.8728 5.9278 5.9278 6.0815 6.0815 6.2144 6.2144 6.4911 6.4911 6.6291 6.6291 6.6441 6.6441 6.9812 6.9812 7.0850 7.0850 7.2742 7.2742 9.6337 9.6337 9.9051 9.9051 12.6554 12.6554 12.9629 12.9629 13.8916 13.8916 14.5120 14.5120 14.6778 14.6778 15.9881 15.9881 k = 0.2451 0.2451-0.0000 ( 3349 PWs) bands (ev): 4.1903 4.1903 4.3848 4.3848 4.4165 4.4165 4.4821 4.4821 4.5368 4.5368 4.5745 4.5745 4.8212 4.8212 5.9194 5.9194 6.0667 6.0667 6.2417 6.2417 6.4939 6.4939 6.6402 6.6402 6.6598 6.6598 6.9961 6.9961 7.1054 7.1054 7.2968 7.2968 9.7329 9.7329 9.9565 9.9565 12.6861 12.6861 12.9761 12.9761 13.9473 13.9473 14.5050 14.5050 14.7029 14.7029 15.9935 15.9935 k = 0.2353 0.2353-0.0000 ( 3349 PWs) bands (ev): 4.1531 4.1531 4.3712 4.3712 4.3980 4.3980 4.4671 4.4671 4.5247 4.5247 4.5602 4.5602 4.7738 4.7738 5.9114 5.9114 6.0499 6.0499 6.2700 6.2700 6.5001 6.5001 6.6510 6.6510 6.6761 6.6761 7.0115 7.0115 7.1270 7.1270 7.3190 7.3190 9.8340 9.8340 10.0125 10.0125 12.7073 12.7073 12.9898 12.9898 14.0032 14.0032 14.4970 14.4970 14.7352 14.7352 16.0004 16.0004 k = 0.2255 0.2255-0.0000 ( 3357 PWs) bands (ev): 4.1125 4.1125 4.3577 4.3577 4.3801 4.3801 4.4517 4.4517 4.5113 4.5113 4.5461 4.5461 4.7308 4.7308 5.9036 5.9036 6.0326 6.0326 6.2963 6.2963 6.5106 6.5106 6.6616 6.6616 6.6923 6.6923 7.0272 7.0272 7.1494 7.1494 7.3410 7.3410 9.9353 9.9353 10.0747 10.0747 12.7215 12.7215 13.0026 13.0026 14.0588 14.0588 14.4873 14.4873 14.7737 14.7737 16.0089 16.0089 k = 0.2157 0.2157-0.0000 ( 3345 PWs) bands (ev): 4.0689 4.0689 4.3444 4.3444 4.3630 4.3630 4.4358 4.4358 4.4964 4.4964 4.5325 4.5325 4.6921 4.6921 5.8961 5.8961 6.0152 6.0152 6.3189 6.3189 6.5262 6.5262 6.6723 6.6723 6.7082 6.7082 7.0431 7.0431 7.1730 7.1730 7.3625 7.3625 10.0338 10.0338 10.1459 10.1459 12.7307 12.7307 13.0135 13.0135 14.1133 14.1133 14.4759 14.4759 14.8168 14.8168 16.0195 16.0195 k = 0.2059 0.2059-0.0000 ( 3343 PWs) bands (ev): 4.0230 4.0230 4.3313 4.3313 4.3465 4.3465 4.4196 4.4196 4.4799 4.4799 4.5198 4.5198 4.6576 4.6576 5.8889 5.8889 5.9982 5.9982 6.3369 6.3369 6.5471 6.5471 6.6830 6.6830 6.7238 6.7238 7.0591 7.0591 7.1975 7.1975 7.3836 7.3836 10.1253 10.1253 10.2300 10.2300 12.7364 12.7364 13.0219 13.0219 14.1650 14.1650 14.4637 14.4637 14.8628 14.8628 16.0319 16.0319 k = 0.1961 0.1961-0.0000 ( 3341 PWs) bands (ev): 3.9753 3.9753 4.3184 4.3184 4.3308 4.3308 4.4031 4.4031 4.4619 4.4619 4.5082 4.5082 4.6269 4.6269 5.8821 5.8821 5.9817 5.9817 6.3501 6.3501 6.5724 6.5724 6.6937 6.6937 6.7390 6.7390 7.0751 7.0751 7.2231 7.2231 7.4042 7.4042 10.2089 10.2089 10.3276 10.3276 12.7398 12.7398 13.0278 13.0278 14.2106 14.2106 14.4531 14.4531 14.9097 14.9097 16.0445 16.0445 k = 0.1863 0.1863-0.0000 ( 3353 PWs) bands (ev): 3.9266 3.9266 4.3059 4.3059 4.3158 4.3158 4.3865 4.3865 4.4428 4.4428 4.4974 4.4974 4.5996 4.5996 5.8756 5.8756 5.9658 5.9658 6.3594 6.3594 6.6008 6.6008 6.7042 6.7042 6.7540 6.7540 7.0908 7.0908 7.2497 7.2497 7.4244 7.4244 10.2885 10.2885 10.4345 10.4345 12.7416 12.7416 13.0314 13.0314 14.2434 14.2434 14.4500 14.4500 14.9557 14.9557 16.0496 16.0496 k = 0.1765 0.1765-0.0000 ( 3353 PWs) bands (ev): 3.8776 3.8776 4.2937 4.2937 4.3016 4.3016 4.3698 4.3698 4.4231 4.4231 4.4872 4.4872 4.5752 4.5752 5.8695 5.8695 5.9507 5.9507 6.3658 6.3658 6.6305 6.6305 6.7146 6.7146 6.7689 6.7689 7.1061 7.1061 7.2773 7.2773 7.4440 7.4440 10.3680 10.3680 10.5464 10.5464 12.7423 12.7423 13.0332 13.0332 14.2539 14.2539 14.4632 14.4632 14.9988 14.9988 16.0237 16.0237 k = 0.1667 0.1667-0.0000 ( 3349 PWs) bands (ev): 3.8289 3.8289 4.2819 4.2819 4.2881 4.2881 4.3531 4.3531 4.4032 4.4032 4.4778 4.4778 4.5534 4.5534 5.8636 5.8636 5.9362 5.9362 6.3702 6.3702 6.6601 6.6601 6.7248 6.7248 6.7842 6.7842 7.1210 7.1210 7.3056 7.3056 7.4631 7.4631 10.4495 10.4495 10.6609 10.6609 12.7421 12.7421 13.0335 13.0335 14.2393 14.2393 14.4946 14.4946 15.0377 15.0377 15.9568 15.9568 k = 0.1569 0.1569-0.0000 ( 3339 PWs) bands (ev): 3.7810 3.7810 4.2705 4.2705 4.2753 4.2753 4.3365 4.3365 4.3835 4.3835 4.4688 4.4688 4.5337 4.5337 5.8582 5.8582 5.9225 5.9225 6.3733 6.3733 6.6879 6.6879 6.7347 6.7347 6.8002 6.8002 7.1353 7.1353 7.3346 7.3346 7.4815 7.4815 10.5340 10.5340 10.7765 10.7765 12.7414 12.7414 13.0326 13.0326 14.2056 14.2056 14.5377 14.5377 15.0710 15.0710 15.8738 15.8738 k = 0.1471 0.1471-0.0000 ( 3343 PWs) bands (ev): 3.7344 3.7344 4.2594 4.2594 4.2634 4.2634 4.3202 4.3202 4.3643 4.3643 4.4603 4.4603 4.5158 4.5158 5.8530 5.8530 5.9096 5.9096 6.3754 6.3754 6.7129 6.7129 6.7442 6.7442 6.8175 6.8175 7.1490 7.1490 7.3640 7.3640 7.4993 7.4993 10.6218 10.6218 10.8922 10.8922 12.7400 12.7400 13.0308 13.0308 14.1586 14.1586 14.5860 14.5860 15.0980 15.0980 15.7883 15.7883 k = 0.1373 0.1373-0.0000 ( 3343 PWs) bands (ev): 3.6895 3.6895 4.2485 4.2485 4.2524 4.2524 4.3043 4.3043 4.3458 4.3458 4.4523 4.4523 4.4996 4.4996 5.8482 5.8482 5.8974 5.8974 6.3769 6.3769 6.7342 6.7342 6.7534 6.7534 6.8363 6.8363 7.1620 7.1620 7.3934 7.3934 7.5164 7.5164 10.7132 10.7132 11.0073 11.0073 12.7381 12.7381 13.0283 13.0283 14.1014 14.1014 14.6360 14.6360 15.1185 15.1185 15.7044 15.7044 k = 0.1275 0.1275-0.0000 ( 3339 PWs) bands (ev): 3.6465 3.6465 4.2378 4.2378 4.2424 4.2424 4.2889 4.2889 4.3281 4.3281 4.4449 4.4449 4.4848 4.4848 5.8437 5.8437 5.8861 5.8861 6.3780 6.3780 6.7518 6.7518 6.7622 6.7622 6.8564 6.8564 7.1743 7.1743 7.4226 7.4226 7.5328 7.5328 10.8083 10.8083 11.1209 11.1209 12.7358 12.7358 13.0252 13.0252 14.0357 14.0357 14.6860 14.6860 15.1326 15.1326 15.6237 15.6237 k = 0.1176 0.1176-0.0000 ( 3335 PWs) bands (ev): 3.6059 3.6059 4.2276 4.2276 4.2332 4.2332 4.2741 4.2741 4.3115 4.3115 4.4378 4.4378 4.4714 4.4714 5.8395 5.8395 5.8756 5.8756 6.3788 6.3788 6.7660 6.7660 6.7705 6.7705 6.8773 6.8773 7.1859 7.1859 7.4513 7.4513 7.5483 7.5483 10.9068 10.9068 11.2324 11.2324 12.7328 12.7328 13.0214 13.0214 13.9626 13.9626 14.7348 14.7348 15.1407 15.1407 15.5470 15.5470 k = 0.1078 0.1078-0.0000 ( 3333 PWs) bands (ev): 3.5679 3.5679 4.2180 4.2180 4.2248 4.2248 4.2600 4.2600 4.2959 4.2959 4.4313 4.4313 4.4591 4.4591 5.8356 5.8356 5.8659 5.8659 6.3794 6.3794 6.7773 6.7773 6.7784 6.7784 6.8981 6.8981 7.1968 7.1968 7.4790 7.4790 7.5629 7.5629 11.0088 11.0088 11.3409 11.3409 12.7292 12.7292 13.0165 13.0165 13.8832 13.8832 14.7818 14.7818 15.1435 15.1435 15.4746 15.4746 k = 0.0980 0.0980-0.0000 ( 3333 PWs) bands (ev): 3.5326 3.5326 4.2089 4.2089 4.2171 4.2171 4.2468 4.2468 4.2815 4.2815 4.4253 4.4253 4.4480 4.4480 5.8320 5.8320 5.8570 5.8570 6.3799 6.3799 6.7853 6.7853 6.7868 6.7868 6.9181 6.9181 7.2068 7.2068 7.5055 7.5055 7.5767 7.5767 11.1140 11.1140 11.4457 11.4457 12.7249 12.7249 13.0103 13.0103 13.7987 13.7987 14.8263 14.8263 15.1418 15.1418 15.4071 15.4071 k = 0.0882 0.0882-0.0000 ( 3337 PWs) bands (ev): 3.5002 3.5002 4.2006 4.2006 4.2100 4.2100 4.2345 4.2345 4.2683 4.2683 4.4198 4.4198 4.4380 4.4380 5.8288 5.8288 5.8490 5.8490 6.3803 6.3803 6.7920 6.7920 6.7944 6.7944 6.9369 6.9369 7.2161 7.2161 7.5304 7.5304 7.5894 7.5894 11.2219 11.2219 11.5458 11.5458 12.7198 12.7198 13.0018 13.0018 13.7107 13.7107 14.8680 14.8680 15.1364 15.1364 15.3448 15.3448 k = 0.0784 0.0784-0.0000 ( 3355 PWs) bands (ev): 3.4709 3.4709 4.1930 4.1930 4.2037 4.2037 4.2233 4.2233 4.2565 4.2565 4.4149 4.4149 4.4291 4.4291 5.8258 5.8258 5.8417 5.8417 6.3807 6.3807 6.7980 6.7980 6.8007 6.8007 6.9540 6.9540 7.2245 7.2245 7.5535 7.5535 7.6010 7.6010 11.3322 11.3322 11.6403 11.6403 12.7139 12.7139 12.9898 12.9898 13.6216 13.6216 14.9064 14.9064 15.1283 15.1283 15.2879 15.2879 k = 0.0686 0.0686-0.0000 ( 3353 PWs) bands (ev): 3.4448 3.4448 4.1862 4.1862 4.1981 4.1981 4.2132 4.2132 4.2460 4.2460 4.4105 4.4105 4.4213 4.4213 5.8232 5.8232 5.8354 5.8354 6.3810 6.3810 6.8034 6.8034 6.8060 6.8060 6.9693 6.9693 7.2321 7.2321 7.5745 7.5745 7.6115 7.6115 11.4442 11.4442 11.7284 11.7284 12.7072 12.7072 12.9722 12.9722 13.5343 13.5343 14.9411 14.9411 15.1183 15.1183 15.2370 15.2370 k = 0.0588 0.0588-0.0000 ( 3357 PWs) bands (ev): 3.4220 3.4220 4.1801 4.1801 4.1931 4.1931 4.2044 4.2044 4.2368 4.2368 4.4066 4.4066 4.4146 4.4146 5.8209 5.8209 5.8298 5.8298 6.3813 6.3813 6.8081 6.8081 6.8103 6.8103 6.9827 6.9827 7.2388 7.2388 7.5932 7.5932 7.6207 7.6207 11.5568 11.5568 11.8087 11.8087 12.6998 12.6998 12.9464 12.9464 13.4530 13.4530 14.9719 14.9719 15.1072 15.1072 15.1922 15.1922 k = 0.0490 0.0490-0.0000 ( 3359 PWs) bands (ev): 3.4026 3.4026 4.1749 4.1749 4.1889 4.1889 4.1968 4.1968 4.2291 4.2291 4.4034 4.4034 4.4088 4.4088 5.8190 5.8190 5.8251 5.8251 6.3815 6.3815 6.8121 6.8121 6.8138 6.8138 6.9940 6.9940 7.2445 7.2445 7.6094 7.6094 7.6287 7.6287 11.6688 11.6688 11.8803 11.8803 12.6920 12.6920 12.9091 12.9091 13.3825 13.3825 14.9984 14.9984 15.0960 15.0960 15.1540 15.1540 k = 0.0392 0.0392-0.0000 ( 3361 PWs) bands (ev): 3.3866 3.3866 4.1706 4.1706 4.1855 4.1855 4.1905 4.1905 4.2228 4.2228 4.4007 4.4007 4.4042 4.4042 5.8174 5.8174 5.8213 5.8213 6.3817 6.3817 6.8154 6.8154 6.8166 6.8166 7.0033 7.0033 7.2492 7.2492 7.6228 7.6228 7.6353 7.6353 11.7779 11.7779 11.9417 11.9417 12.6841 12.6841 12.8588 12.8588 13.3269 13.3269 15.0203 15.0203 15.0853 15.0853 15.1227 15.1227 k = 0.0294 0.0294-0.0000 ( 3365 PWs) bands (ev): 3.3741 3.3741 4.1672 4.1672 4.1828 4.1828 4.1856 4.1856 4.2179 4.2179 4.3986 4.3986 4.4005 4.4005 5.8161 5.8161 5.8183 5.8183 6.3819 6.3819 6.8180 6.8180 6.8187 6.8187 7.0105 7.0105 7.2529 7.2529 7.6334 7.6334 7.6404 7.6404 11.8804 11.8804 11.9917 11.9917 12.6766 12.6766 12.7980 12.7980 13.2874 13.2874 15.0373 15.0373 15.0754 15.0754 15.0992 15.0992 k = 0.0196 0.0196-0.0000 ( 3365 PWs) bands (ev): 3.3652 3.3652 4.1647 4.1647 4.1809 4.1809 4.1821 4.1821 4.2144 4.2144 4.3971 4.3971 4.3979 4.3979 5.8152 5.8152 5.8162 5.8162 6.3820 6.3820 6.8199 6.8199 6.8202 6.8202 7.0157 7.0157 7.2556 7.2556 7.6410 7.6410 7.6442 7.6442 11.9699 11.9699 12.0288 12.0288 12.6704 12.6704 12.7352 12.7352 13.2623 13.2623 15.0489 15.0489 15.0663 15.0663 15.0843 15.0843 k = 0.0098 0.0098-0.0000 ( 3389 PWs) bands (ev): 3.3598 3.3598 4.1631 4.1631 4.1797 4.1797 4.1800 4.1800 4.2122 4.2122 4.3961 4.3961 4.3964 4.3964 5.8146 5.8146 5.8149 5.8149 6.3821 6.3821 6.8210 6.8210 6.8210 6.8210 7.0187 7.0187 7.2572 7.2572 7.6456 7.6456 7.6464 7.6464 12.0349 12.0349 12.0517 12.0517 12.6663 12.6663 12.6848 12.6848 13.2487 13.2487 15.0550 15.0550 15.0593 15.0593 15.0776 15.0776 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): 3.3580 3.3580 4.1626 4.1626 4.1793 4.1793 4.1793 4.1793 4.2115 4.2115 4.3958 4.3958 4.3958 4.3958 5.8144 5.8144 5.8144 5.8144 6.3821 6.3821 6.8213 6.8213 6.8213 6.8213 7.0198 7.0198 7.2577 7.2577 7.6472 7.6472 7.6472 7.6472 12.0594 12.0594 12.0594 12.0594 12.6648 12.6648 12.6648 12.6648 13.2444 13.2444 15.0566 15.0566 15.0566 15.0566 15.0762 15.0762 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): 3.3580 3.3580 4.1626 4.1626 4.1793 4.1793 4.1793 4.1793 4.2115 4.2115 4.3958 4.3958 4.3958 4.3958 5.8144 5.8144 5.8144 5.8144 6.3821 6.3821 6.8213 6.8213 6.8213 6.8213 7.0198 7.0198 7.2577 7.2577 7.6472 7.6472 7.6472 7.6472 12.0594 12.0594 12.0594 12.0594 12.6648 12.6648 12.6648 12.6648 13.2444 13.2444 15.0566 15.0566 15.0566 15.0566 15.0762 15.0762 k = 0.0079 0.0079 0.0079 ( 3386 PWs) bands (ev): 3.3597 3.3597 4.1631 4.1631 4.1796 4.1796 4.1800 4.1800 4.2122 4.2122 4.3961 4.3961 4.3964 4.3964 5.8146 5.8146 5.8149 5.8149 6.3821 6.3821 6.8210 6.8210 6.8210 6.8210 7.0188 7.0188 7.2572 7.2572 7.6457 7.6457 7.6464 7.6464 12.0412 12.0412 12.0458 12.0458 12.6666 12.6666 12.6842 12.6842 13.2486 13.2486 15.0549 15.0549 15.0592 15.0592 15.0777 15.0777 k = 0.0159 0.0159 0.0159 ( 3362 PWs) bands (ev): 3.3650 3.3650 4.1646 4.1646 4.1807 4.1807 4.1822 4.1822 4.2143 4.2143 4.3970 4.3970 4.3979 4.3979 5.8151 5.8151 5.8162 5.8162 6.3820 6.3820 6.8200 6.8200 6.8201 6.8201 7.0157 7.0157 7.2556 7.2556 7.6412 7.6412 7.6442 7.6442 11.9922 11.9922 12.0074 12.0074 12.6692 12.6692 12.7364 12.7364 13.2620 13.2620 15.0498 15.0498 15.0629 15.0629 15.0866 15.0866 k = 0.0238 0.0238 0.0238 ( 3359 PWs) bands (ev): 3.3738 3.3738 4.1671 4.1671 4.1825 4.1825 4.1857 4.1857 4.2178 4.2178 4.3984 4.3984 4.4006 4.4006 5.8160 5.8160 5.8184 5.8184 6.3819 6.3819 6.8183 6.8183 6.8185 6.8185 7.0107 7.0107 7.2530 7.2530 7.6337 7.6337 7.6405 7.6405 11.9240 11.9240 11.9497 11.9497 12.6658 12.6658 12.8098 12.8098 13.2860 13.2860 15.0416 15.0416 15.0626 15.0626 15.1070 15.1070 k = 0.0317 0.0317 0.0317 ( 3359 PWs) bands (ev): 3.3861 3.3861 4.1705 4.1705 4.1851 4.1851 4.1906 4.1906 4.2226 4.2226 4.4004 4.4004 4.4042 4.4042 5.8171 5.8171 5.8214 5.8214 6.3817 6.3817 6.8159 6.8159 6.8163 6.8163 7.0036 7.0036 7.2494 7.2494 7.6233 7.6233 7.6353 7.6353 11.8453 11.8453 11.8788 11.8788 12.6507 12.6507 12.8953 12.8953 13.3212 13.3212 15.0303 15.0303 15.0602 15.0602 15.1366 15.1366 k = 0.0397 0.0397 0.0397 ( 3359 PWs) bands (ev): 3.4018 3.4018 4.1747 4.1747 4.1883 4.1883 4.1969 4.1969 4.2288 4.2288 4.4029 4.4029 4.4089 4.4089 5.8186 5.8186 5.8253 5.8253 6.3815 6.3815 6.8128 6.8128 6.8134 6.8134 6.9944 6.9944 7.2447 7.2447 7.6100 7.6100 7.6287 7.6287 11.7616 11.7616 11.7992 11.7992 12.6214 12.6214 12.9868 12.9868 13.3662 13.3662 15.0163 15.0163 15.0572 15.0572 15.1728 15.1728 k = 0.0476 0.0476 0.0476 ( 3347 PWs) bands (ev): 3.4209 3.4209 4.1798 4.1798 4.1923 4.1923 4.2046 4.2046 4.2365 4.2365 4.4060 4.4060 4.4147 4.4147 5.8204 5.8204 5.8300 5.8300 6.3813 6.3813 6.8091 6.8091 6.8098 6.8098 6.9832 6.9832 7.2391 7.2391 7.5939 7.5939 7.6208 7.6208 11.6762 11.6762 11.7142 11.7142 12.5783 12.5783 13.0806 13.0806 13.4180 13.4180 15.0002 15.0002 15.0546 15.0546 15.2141 15.2141 k = 0.0556 0.0556 0.0556 ( 3341 PWs) bands (ev): 3.4432 3.4432 4.1855 4.1855 4.1971 4.1971 4.2135 4.2135 4.2455 4.2455 4.4096 4.4096 4.4216 4.4216 5.8226 5.8226 5.8356 5.8356 6.3811 6.3811 6.8047 6.8047 6.8055 6.8055 6.9700 6.9700 7.2325 7.2325 7.5751 7.5751 7.6117 7.6117 11.5908 11.5908 11.6263 11.6263 12.5234 12.5234 13.1740 13.1740 13.4727 13.4727 14.9826 14.9826 15.0534 15.0534 15.2589 15.2589 k = 0.0635 0.0635 0.0635 ( 3344 PWs) bands (ev): 3.4688 3.4688 4.1919 4.1919 4.2028 4.2028 4.2236 4.2236 4.2559 4.2559 4.4138 4.4138 4.4295 4.4295 5.8251 5.8251 5.8420 5.8420 6.3808 6.3808 6.7996 6.7996 6.8005 6.8005 6.9548 6.9548 7.2250 7.2250 7.5538 7.5538 7.6015 7.6015 11.5065 11.5065 11.5369 11.5369 12.4589 12.4589 13.2646 13.2646 13.5268 13.5268 14.9644 14.9644 15.0544 15.0544 15.3058 15.3058 k = 0.0714 0.0714 0.0714 ( 3344 PWs) bands (ev): 3.4975 3.4975 4.1987 4.1987 4.2094 4.2094 4.2349 4.2349 4.2675 4.2675 4.4185 4.4185 4.4385 4.4385 5.8279 5.8279 5.8492 5.8492 6.3804 6.3804 6.7939 6.7939 6.7945 6.7945 6.9376 6.9376 7.2165 7.2165 7.5301 7.5301 7.5902 7.5902 11.4241 11.4241 11.4473 11.4473 12.3871 12.3871 13.3504 13.3504 13.5770 13.5770 14.9470 14.9470 15.0587 15.0587 15.3538 15.3538 k = 0.0794 0.0794 0.0794 ( 3338 PWs) bands (ev): 3.5291 3.5291 4.2059 4.2059 4.2170 4.2170 4.2472 4.2472 4.2805 4.2805 4.4237 4.4237 4.4487 4.4487 5.8311 5.8311 5.8572 5.8572 6.3801 6.3801 6.7876 6.7876 6.7877 6.7877 6.9186 6.9186 7.2071 7.2071 7.5041 7.5041 7.5781 7.5781 11.3441 11.3441 11.3584 11.3584 12.3099 12.3099 13.4291 13.4291 13.6207 13.6207 14.9317 14.9317 15.0672 15.0672 15.4017 15.4017 k = 0.0873 0.0873 0.0873 ( 3332 PWs) bands (ev): 3.5634 3.5634 4.2134 4.2134 4.2257 4.2257 4.2605 4.2605 4.2946 4.2946 4.4295 4.4295 4.4601 4.4601 5.8346 5.8346 5.8660 5.8660 6.3796 6.3796 6.7800 6.7800 6.7807 6.7807 6.8978 6.8978 7.1966 7.1966 7.4762 7.4762 7.5652 7.5652 11.2670 11.2670 11.2708 11.2708 12.2286 12.2286 13.4985 13.4985 13.6559 13.6559 14.9204 14.9204 15.0807 15.0807 15.4488 15.4488 k = 0.0952 0.0952 0.0952 ( 3344 PWs) bands (ev): 3.6003 3.6003 4.2211 4.2211 4.2355 4.2355 4.2747 4.2747 4.3098 4.3098 4.4357 4.4357 4.4727 4.4727 5.8386 5.8386 5.8756 5.8756 6.3790 6.3790 6.7712 6.7712 6.7731 6.7731 6.8755 6.8755 7.1851 7.1851 7.4466 7.4466 7.5518 7.5518 11.1849 11.1849 11.1928 11.1928 12.1446 12.1446 13.5564 13.5564 13.6812 13.6812 14.9149 14.9149 15.0994 15.0994 15.4943 15.4943 k = 0.1032 0.1032 0.1032 ( 3344 PWs) bands (ev): 3.6394 3.6394 4.2291 4.2291 4.2463 4.2463 4.2897 4.2897 4.3260 4.3260 4.4426 4.4426 4.4866 4.4866 5.8429 5.8429 5.8860 5.8860 6.3782 6.3782 6.7612 6.7612 6.7649 6.7649 6.8518 6.8518 7.1725 7.1725 7.4155 7.4155 7.5381 7.5381 11.1013 11.1013 11.1218 11.1218 12.0589 12.0589 13.6007 13.6007 13.6959 13.6959 14.9169 14.9169 15.1234 15.1234 15.5377 15.5377 k = 0.1111 0.1111 0.1111 ( 3341 PWs) bands (ev): 3.6804 3.6804 4.2373 4.2373 4.2583 4.2583 4.3052 4.3052 4.3430 4.3430 4.4500 4.4500 4.5022 4.5022 5.8477 5.8477 5.8971 5.8971 6.3771 6.3771 6.7499 6.7499 6.7561 6.7561 6.8269 6.8269 7.1587 7.1587 7.3833 7.3833 7.5241 7.5241 11.0202 11.0202 11.0540 11.0540 11.9724 11.9724 13.6299 13.6299 13.7000 13.7000 14.9277 14.9277 15.1523 15.1523 15.5784 15.5784 k = 0.1190 0.1190 0.1190 ( 3344 PWs) bands (ev): 3.7229 3.7229 4.2459 4.2459 4.2713 4.2713 4.3212 4.3212 4.3606 4.3606 4.4579 4.4579 4.5194 4.5194 5.8530 5.8530 5.9089 5.9089 6.3755 6.3755 6.7373 6.7373 6.7465 6.7465 6.8014 6.8014 7.1437 7.1437 7.3504 7.3504 7.5102 7.5102 10.9419 10.9419 10.9896 10.9896 11.8858 11.8858 13.6435 13.6435 13.6938 13.6938 14.9476 14.9476 15.1850 15.1850 15.6162 15.6162 k = 0.1270 0.1270 0.1270 ( 3350 PWs) bands (ev): 3.7664 3.7664 4.2548 4.2548 4.2855 4.2855 4.3373 4.3373 4.3787 4.3787 4.4666 4.4666 4.5387 4.5387 5.8587 5.8587 5.9214 5.9214 6.3734 6.3734 6.7231 6.7231 6.7360 6.7360 6.7758 6.7758 7.1275 7.1275 7.3171 7.3171 7.4964 7.4964 10.8665 10.8665 10.9286 10.9286 11.7997 11.7997 13.6418 13.6418 13.6783 13.6783 14.9761 14.9761 15.2206 15.2206 15.6506 15.6506 k = 0.1349 0.1349 0.1349 ( 3356 PWs) bands (ev): 3.8103 3.8103 4.2639 4.2639 4.3011 4.3011 4.3535 4.3535 4.3969 4.3969 4.4759 4.4759 4.5604 4.5604 5.8651 5.8651 5.9346 5.9346 6.3704 6.3704 6.7072 6.7072 6.7239 6.7239 6.7513 6.7513 7.1100 7.1100 7.2839 7.2839 7.4830 7.4830 10.7942 10.7942 10.8709 10.8709 11.7147 11.7147 13.6262 13.6262 13.6546 13.6546 15.0117 15.0117 15.2577 15.2577 15.6815 15.6815 k = 0.1429 0.1429 0.1429 ( 3359 PWs) bands (ev): 3.8539 3.8539 4.2732 4.2732 4.3179 4.3179 4.3695 4.3695 4.4151 4.4151 4.4860 4.4860 4.5850 4.5850 5.8720 5.8720 5.9483 5.9483 6.3663 6.3663 6.6896 6.6896 6.7082 6.7082 6.7303 6.7303 7.0912 7.0912 7.2512 7.2512 7.4701 7.4701 10.7252 10.7252 10.8165 10.8165 11.6312 11.6312 13.5985 13.5985 13.6239 13.6239 15.0525 15.0525 15.2952 15.2952 15.7085 15.7085 k = 0.1508 0.1508 0.1508 ( 3356 PWs) bands (ev): 3.8964 3.8964 4.2827 4.2827 4.3362 4.3362 4.3850 4.3850 4.4330 4.4330 4.4969 4.4969 4.6131 4.6131 5.8796 5.8796 5.9626 5.9626 6.3606 6.3606 6.6701 6.6701 6.6879 6.6879 6.7146 6.7146 7.0712 7.0712 7.2195 7.2195 7.4577 7.4577 10.6595 10.6595 10.7654 10.7654 11.5498 11.5498 13.5608 13.5608 13.5873 13.5873 15.0963 15.0963 15.3321 15.3321 15.7314 15.7314 k = 0.1587 0.1587 0.1587 ( 3356 PWs) bands (ev): 3.9371 3.9371 4.2922 4.2922 4.3559 4.3559 4.3998 4.3998 4.4504 4.4504 4.5086 4.5086 4.6453 4.6453 5.8878 5.8878 5.9774 5.9774 6.3529 6.3529 6.6488 6.6488 6.6661 6.6661 6.7018 6.7018 7.0501 7.0501 7.1890 7.1890 7.4460 7.4460 10.5971 10.5971 10.7175 10.7175 11.4707 11.4707 13.5152 13.5152 13.5459 13.5459 15.1413 15.1413 15.3674 15.3674 15.7501 15.7501 k = 0.1667 0.1667 0.1667 ( 3380 PWs) bands (ev): 3.9752 3.9752 4.3018 4.3018 4.3766 4.3766 4.4137 4.4137 4.4671 4.4671 4.5211 4.5211 4.6822 4.6822 5.8968 5.8968 5.9926 5.9926 6.3428 6.3428 6.6257 6.6257 6.6453 6.6453 6.6901 6.6901 7.0280 7.0280 7.1602 7.1602 7.4350 7.4350 10.5380 10.5380 10.6726 10.6726 11.3944 11.3944 13.4633 13.4633 13.5007 13.5007 15.1858 15.1858 15.4006 15.4006 15.7643 15.7643 k = 0.1746 0.1746 0.1746 ( 3356 PWs) bands (ev): 4.0100 4.0100 4.3114 4.3114 4.3980 4.3980 4.4266 4.4266 4.4833 4.4833 4.5344 4.5344 4.7245 4.7245 5.9064 5.9064 6.0081 6.0081 6.3300 6.3300 6.6010 6.6010 6.6270 6.6270 6.6790 6.6790 7.0052 7.0052 7.1334 7.1334 7.4247 7.4247 10.4824 10.4824 10.6307 10.6307 11.3211 11.3211 13.4067 13.4067 13.4525 13.4525 15.2284 15.2284 15.4312 15.4312 15.7736 15.7736 k = 0.1825 0.1825 0.1825 ( 3356 PWs) bands (ev): 4.0413 4.0413 4.3209 4.3209 4.4193 4.4193 4.4384 4.4384 4.4991 4.4991 4.5482 4.5482 4.7724 4.7724 5.9169 5.9169 6.0236 6.0236 6.3142 6.3142 6.5749 6.5749 6.6115 6.6115 6.6684 6.6684 6.9816 6.9816 7.1087 7.1087 7.4152 7.4152 10.4301 10.4301 10.5917 10.5917 11.2512 11.2512 13.3468 13.3468 13.4021 13.4021 15.2683 15.2683 15.4587 15.4587 15.7778 15.7778 k = 0.1905 0.1905 0.1905 ( 3362 PWs) bands (ev): 4.0689 4.0689 4.3302 4.3302 4.4396 4.4396 4.4491 4.4491 4.5148 4.5148 4.5623 4.5623 4.8264 4.8264 5.9280 5.9280 6.0391 6.0391 6.2955 6.2955 6.5480 6.5480 6.5990 6.5990 6.6587 6.6587 6.9576 6.9576 7.0862 7.0862 7.4064 7.4064 10.3811 10.3812 10.5555 10.5555 11.1848 11.1848 13.2844 13.2844 13.3500 13.3500 15.3048 15.3048 15.4830 15.4830 15.7765 15.7765 k = 0.1984 0.1984 0.1984 ( 3356 PWs) bands (ev): 4.0929 4.0929 4.3393 4.3393 4.4581 4.4581 4.4588 4.4588 4.5306 4.5306 4.5763 4.5763 4.8863 4.8863 5.9397 5.9397 6.0542 6.0542 6.2743 6.2743 6.5208 6.5208 6.5890 6.5890 6.6506 6.6506 6.9334 6.9334 7.0659 7.0659 7.3983 7.3983 10.3355 10.3355 10.5220 10.5220 11.1222 11.1222 13.2205 13.2205 13.2968 13.2968 15.3376 15.3376 15.5037 15.5037 15.7695 15.7695 k = 0.2063 0.2063 0.2063 ( 3350 PWs) bands (ev): 4.1135 4.1135 4.3481 4.3481 4.4675 4.4675 4.4739 4.4739 4.5469 4.5469 4.5900 4.5900 4.9519 4.9519 5.9519 5.9519 6.0686 6.0686 6.2514 6.2514 6.4940 6.4940 6.5807 6.5807 6.6447 6.6447 6.9092 6.9092 7.0480 7.0480 7.3910 7.3910 10.2930 10.2930 10.4911 10.4911 11.0637 11.0637 13.1556 13.1556 13.2430 13.2430 15.3666 15.3666 15.5206 15.5206 15.7563 15.7563 k = 0.2143 0.2143 0.2143 ( 3356 PWs) bands (ev): 4.1311 4.1311 4.3564 4.3564 4.4753 4.4753 4.4865 4.4865 4.5635 4.5635 4.6030 4.6030 5.0226 5.0226 5.9645 5.9645 6.0818 6.0818 6.2275 6.2275 6.4686 6.4686 6.5730 6.5730 6.6421 6.6421 6.8851 6.8851 7.0322 7.0322 7.3842 7.3842 10.2537 10.2537 10.4626 10.4626 11.0094 11.0094 13.0903 13.0903 13.1888 13.1888 15.3918 15.3918 15.5329 15.5329 15.7369 15.7369 k = 0.2222 0.2222 0.2222 ( 3353 PWs) bands (ev): 4.1460 4.1460 4.3642 4.3642 4.4823 4.4823 4.4962 4.4962 4.5800 4.5800 4.6151 4.6151 5.0978 5.0978 5.9771 5.9771 6.0932 6.0932 6.2034 6.2034 6.4455 6.4455 6.5652 6.5652 6.6436 6.6436 6.8615 6.8615 7.0186 7.0186 7.3782 7.3782 10.2175 10.2175 10.4365 10.4365 10.9594 10.9594 13.0250 13.0250 13.1345 13.1345 15.4132 15.4132 15.5393 15.5393 15.7120 15.7120 k = 0.2302 0.2302 0.2302 ( 3353 PWs) bands (ev): 4.1587 4.1587 4.3715 4.3715 4.4884 4.4884 4.5031 4.5031 4.5960 4.5960 4.6258 4.6258 5.1767 5.1767 5.9894 5.9894 6.1019 6.1019 6.1800 6.1800 6.4259 6.4259 6.5567 6.5567 6.6497 6.6497 6.8384 6.8384 7.0071 7.0071 7.3727 7.3727 10.1843 10.1843 10.4127 10.4127 10.9140 10.9140 12.9600 12.9600 13.0805 13.0805 15.4310 15.4310 15.5370 15.5370 15.6837 15.6837 k = 0.2381 0.2381 0.2381 ( 3359 PWs) bands (ev): 4.1694 4.1694 4.3780 4.3780 4.4938 4.4938 4.5076 4.5076 4.6108 4.6108 4.6350 4.6350 5.2583 5.2583 6.0008 6.0008 6.1074 6.1074 6.1585 6.1585 6.4109 6.4109 6.5479 6.5479 6.6606 6.6606 6.8161 6.8161 6.9976 6.9976 7.3678 7.3678 10.1540 10.1540 10.3911 10.3911 10.8731 10.8731 12.8955 12.8955 13.0267 13.0267 15.4454 15.4454 15.5200 15.5200 15.6571 15.6571 k = 0.2460 0.2460 0.2460 ( 3359 PWs) bands (ev): 4.1784 4.1784 4.3838 4.3838 4.4983 4.4983 4.5100 4.5100 4.6242 4.6242 4.6424 4.6424 5.3416 5.3416 6.0104 6.0104 6.1089 6.1089 6.1399 6.1399 6.4012 6.4012 6.5392 6.5392 6.6763 6.6763 6.7947 6.7947 6.9901 6.9901 7.3636 7.3636 10.1266 10.1266 10.3715 10.3715 10.8370 10.8370 12.8318 12.8318 12.9735 12.9735 15.4565 15.4565 15.4822 15.4822 15.6379 15.6379 k = 0.2540 0.2540 0.2540 ( 3347 PWs) bands (ev): 4.1858 4.1858 4.3887 4.3887 4.5019 4.5019 4.5105 4.5105 4.6359 4.6359 4.6480 4.6480 5.4255 5.4255 6.0171 6.0171 6.1065 6.1065 6.1256 6.1256 6.3973 6.3973 6.5311 6.5311 6.6971 6.6971 6.7744 6.7744 6.9847 6.9847 7.3599 7.3599 10.1019 10.1019 10.3540 10.3540 10.8057 10.8057 12.7688 12.7688 12.9208 12.9208 15.4234 15.4234 15.4645 15.4645 15.6259 15.6259 k = 0.2619 0.2619 0.2619 ( 3347 PWs) bands (ev): 4.1919 4.1919 4.3925 4.3925 4.5047 4.5047 4.5094 4.5094 4.6455 4.6455 4.6516 4.6516 5.5085 5.5085 6.0199 6.0199 6.1005 6.1005 6.1169 6.1169 6.3987 6.3987 6.5242 6.5242 6.7233 6.7233 6.7553 6.7553 6.9814 6.9814 7.3569 7.3569 10.0799 10.0799 10.3385 10.3385 10.7793 10.7793 12.7068 12.7068 12.8688 12.8688 15.3471 15.3471 15.4695 15.4695 15.6172 15.6172 k = 0.2698 0.2698 0.2698 ( 3347 PWs) bands (ev): 4.1968 4.1968 4.3952 4.3952 4.5064 4.5064 4.5068 4.5068 4.6532 4.6532 4.6533 4.6533 5.5893 5.5893 6.0186 6.0186 6.0919 6.0919 6.1140 6.1140 6.4045 6.4045 6.5191 6.5191 6.7367 6.7367 6.7563 6.7563 6.9803 6.9803 7.3544 7.3544 10.0606 10.0606 10.3249 10.3249 10.7577 10.7577 12.6457 12.6457 12.8174 12.8174 15.2567 15.2567 15.4716 15.4716 15.6088 15.6088 k = 0.2778 0.2778 0.2778 ( 3341 PWs) bands (ev): 4.2006 4.2006 4.3967 4.3967 4.5028 4.5028 4.5070 4.5070 4.6531 4.6531 4.6587 4.6587 5.6658 5.6658 6.0151 6.0151 6.0817 6.0817 6.1153 6.1153 6.4138 6.4138 6.5164 6.5164 6.7202 6.7202 6.7953 6.7953 6.9815 6.9815 7.3527 7.3527 10.0438 10.0438 10.3131 10.3131 10.7409 10.7409 12.5856 12.5856 12.7666 12.7666 15.1541 15.1541 15.4710 15.4710 15.5993 15.5993 k = 0.2857 0.2857 0.2857 ( 3335 PWs) bands (ev): 4.2034 4.2034 4.3967 4.3967 4.4975 4.4975 4.5063 4.5063 4.6512 4.6512 4.6624 4.6624 5.7361 5.7361 6.0116 6.0116 6.0709 6.0709 6.1188 6.1188 6.4253 6.4253 6.5168 6.5168 6.7048 6.7048 6.8423 6.8423 6.9851 6.9851 7.3517 7.3517 10.0294 10.0294 10.3031 10.3031 10.7290 10.7290 12.5264 12.5264 12.7165 12.7165 15.0407 15.0407 15.4678 15.4678 15.5878 15.5878 k = 0.2937 0.2937 0.2937 ( 3335 PWs) bands (ev): 4.2054 4.2054 4.3953 4.3953 4.4912 4.4912 4.5042 4.5042 4.6478 4.6478 4.6641 4.6641 5.7977 5.7977 6.0104 6.0104 6.0601 6.0601 6.1229 6.1229 6.4382 6.4382 6.5209 6.5209 6.6906 6.6906 6.8978 6.8978 6.9912 6.9912 7.3516 7.3516 10.0174 10.0174 10.2949 10.2949 10.7219 10.7219 12.4681 12.4681 12.6671 12.6671 14.9177 14.9177 15.4621 15.4621 15.5743 15.5743 k = 0.3016 0.3016 0.3016 ( 3329 PWs) bands (ev): 4.2065 4.2065 4.3923 4.3923 4.4839 4.4839 4.5003 4.5003 4.6434 4.6434 4.6642 4.6642 5.8479 5.8479 6.0136 6.0136 6.0501 6.0501 6.1266 6.1266 6.4516 6.4516 6.5294 6.5294 6.6777 6.6777 6.9623 6.9623 7.0000 7.0000 7.3525 7.3525 10.0077 10.0077 10.2884 10.2884 10.7194 10.7194 12.4106 12.4106 12.6182 12.6182 14.7865 14.7865 15.4541 15.4541 15.5585 15.5585 k = 0.3095 0.3095 0.3095 ( 3329 PWs) bands (ev): 4.2069 4.2069 4.3876 4.3876 4.4758 4.4758 4.4946 4.4946 4.6384 4.6384 4.6630 4.6630 5.8849 5.8849 6.0225 6.0225 6.0409 6.0409 6.1292 6.1292 6.4649 6.4649 6.5423 6.5423 6.6662 6.6662 7.0114 7.0114 7.0360 7.0360 7.3548 7.3548 10.0003 10.0003 10.2837 10.2837 10.7215 10.7215 12.3539 12.3539 12.5698 12.5698 14.6482 14.6482 15.4439 15.4439 15.5405 15.5405 k = 0.3175 0.3175 0.3175 ( 3335 PWs) bands (ev): 4.2067 4.2067 4.3812 4.3812 4.4669 4.4669 4.4868 4.4868 4.6331 4.6331 4.6605 4.6605 5.9091 5.9091 6.0328 6.0328 6.0366 6.0366 6.1306 6.1306 6.4778 6.4778 6.5596 6.5596 6.6559 6.6559 7.0254 7.0254 7.1180 7.1180 7.3595 7.3595 9.9951 9.9951 10.2806 10.2806 10.7279 10.7279 12.2980 12.2980 12.5219 12.5219 14.5038 14.5038 15.4317 15.4317 15.5205 15.5205 k = 0.3254 0.3254 0.3254 ( 3341 PWs) bands (ev): 4.2058 4.2058 4.3733 4.3733 4.4574 4.4574 4.4768 4.4768 4.6279 4.6279 4.6572 4.6572 5.9240 5.9240 6.0259 6.0259 6.0526 6.0526 6.1307 6.1307 6.4899 6.4899 6.5806 6.5806 6.6472 6.6472 7.0421 7.0421 7.2052 7.2052 7.3693 7.3693 9.9920 9.9920 10.2792 10.2792 10.7386 10.7386 12.2427 12.2427 12.4744 12.4744 14.3544 14.3544 15.4177 15.4177 15.4988 15.4988 k = 0.3333 0.3333 0.3333 ( 3344 PWs) bands (ev): 4.2044 4.2044 4.3637 4.3637 4.4473 4.4473 4.4647 4.4647 4.6231 4.6231 4.6533 4.6533 5.9337 5.9337 6.0200 6.0200 6.0674 6.0674 6.1295 6.1295 6.5010 6.5010 6.6032 6.6032 6.6411 6.6411 7.0612 7.0612 7.2845 7.2845 7.3968 7.3968 9.9910 9.9910 10.2795 10.2795 10.7533 10.7533 12.1880 12.1880 12.4273 12.4273 14.2008 14.2008 15.4022 15.4022 15.4756 15.4756 k = 0.3413 0.3413 0.3413 ( 3338 PWs) bands (ev): 4.2024 4.2024 4.3528 4.3528 4.4367 4.4367 4.4506 4.4506 4.6188 4.6188 4.6490 4.6490 5.9410 5.9410 6.0151 6.0151 6.0794 6.0794 6.1273 6.1273 6.5112 6.5112 6.6189 6.6189 6.6452 6.6452 7.0826 7.0826 7.3274 7.3274 7.4697 7.4697 9.9919 9.9919 10.2814 10.2814 10.7716 10.7716 12.1339 12.1339 12.3806 12.3806 14.0437 14.0437 15.3853 15.3853 15.4512 15.4512 k = 0.3492 0.3492 0.3492 ( 3344 PWs) bands (ev): 4.2000 4.2000 4.3407 4.3407 4.4257 4.4257 4.4348 4.4348 4.6151 4.6151 4.6445 4.6445 5.9471 5.9471 6.0111 6.0111 6.0882 6.0882 6.1242 6.1242 6.5203 6.5203 6.6186 6.6186 6.6675 6.6675 7.1060 7.1060 7.3440 7.3440 7.5770 7.5770 9.9948 9.9948 10.2849 10.2849 10.7934 10.7934 12.0803 12.0803 12.3343 12.3343 13.8840 13.8840 15.3674 15.3674 15.4261 15.4261 k = 0.3571 0.3571 0.3571 ( 3341 PWs) bands (ev): 4.1971 4.1971 4.3277 4.3277 4.4143 4.4143 4.4177 4.4177 4.6119 4.6119 4.6399 4.6399 5.9528 5.9528 6.0078 6.0078 6.0943 6.0943 6.1205 6.1205 6.5285 6.5285 6.6143 6.6143 6.6952 6.6952 7.1311 7.1311 7.3538 7.3538 7.6983 7.6983 9.9996 9.9996 10.2900 10.2900 10.8183 10.8183 12.0272 12.0272 12.2884 12.2884 13.7222 13.7222 15.3487 15.3487 15.4005 15.4005 k = 0.3651 0.3651 0.3651 ( 3340 PWs) bands (ev): 4.1938 4.1938 4.3140 4.3140 4.3996 4.3996 4.4028 4.4028 4.6092 4.6092 4.6354 4.6354 5.9583 5.9583 6.0051 6.0051 6.0979 6.0979 6.1166 6.1166 6.5358 6.5358 6.6099 6.6099 6.7236 6.7236 7.1574 7.1574 7.3619 7.3619 7.8275 7.8275 10.0061 10.0061 10.2967 10.2967 10.8458 10.8458 11.9746 11.9746 12.2428 12.2428 13.5588 13.5588 15.3295 15.3295 15.3748 15.3748 k = 0.3730 0.3730 0.3730 ( 3340 PWs) bands (ev): 4.1901 4.1901 4.2999 4.2999 4.3808 4.3808 4.3912 4.3912 4.6068 4.6068 4.6310 4.6310 5.9635 5.9635 6.0029 6.0029 6.0997 6.0997 6.1126 6.1126 6.5423 6.5423 6.6060 6.6060 6.7518 6.7518 7.1848 7.1848 7.3698 7.3698 7.9625 7.9625 10.0143 10.0143 10.3049 10.3049 10.8756 10.8756 11.9225 11.9225 12.1977 12.1977 13.3944 13.3944 15.3101 15.3101 15.3493 15.3493 k = 0.3810 0.3810 0.3810 ( 3340 PWs) bands (ev): 4.1860 4.1860 4.2857 4.2857 4.3618 4.3618 4.3797 4.3797 4.6048 4.6048 4.6268 4.6268 5.9685 5.9685 6.0011 6.0011 6.0996 6.0996 6.1091 6.1091 6.5481 6.5481 6.6025 6.6025 6.7791 6.7791 7.2126 7.2126 7.3780 7.3780 8.1021 8.1021 10.0240 10.0240 10.3146 10.3146 10.9070 10.9070 11.8710 11.8710 12.1530 12.1530 13.2295 13.2295 15.2908 15.2908 15.3244 15.3244 k = 0.3889 0.3889 0.3889 ( 3340 PWs) bands (ev): 4.1814 4.1814 4.2717 4.2717 4.3428 4.3428 4.3682 4.3682 4.6031 4.6031 4.6227 4.6227 5.9730 5.9730 5.9995 5.9995 6.0977 6.0977 6.1068 6.1068 6.5533 6.5533 6.5995 6.5995 6.8051 6.8051 7.2407 7.2407 7.3865 7.3865 8.2456 8.2456 10.0353 10.0353 10.3257 10.3257 10.9396 10.9396 11.8203 11.8203 12.1089 12.1089 13.0647 13.0647 15.2717 15.2717 15.3003 15.3003 k = 0.3968 0.3968 0.3968 ( 3343 PWs) bands (ev): 4.1762 4.1762 4.2583 4.2583 4.3241 4.3241 4.3571 4.3571 4.6015 4.6015 4.6188 4.6188 5.9771 5.9771 5.9982 5.9982 6.0944 6.0944 6.1054 6.1054 6.5581 6.5581 6.5969 6.5969 6.8296 6.8296 7.2686 7.2686 7.3954 7.3954 8.3921 8.3921 10.0479 10.0479 10.3382 10.3382 10.9726 10.9726 11.7703 11.7703 12.0651 12.0651 12.9006 12.9006 15.2532 15.2532 15.2771 15.2771 k = 0.4048 0.4048 0.4048 ( 3343 PWs) bands (ev): 4.1705 4.1705 4.2458 4.2458 4.3059 4.3059 4.3463 4.3463 4.6001 4.6001 4.6152 4.6152 5.9807 5.9807 5.9970 5.9970 6.0907 6.0907 6.1046 6.1046 6.5623 6.5623 6.5948 6.5948 6.8524 6.8524 7.2960 7.2960 7.4047 7.4047 8.5413 8.5413 10.0618 10.0618 10.3519 10.3519 11.0053 11.0053 11.7214 11.7214 12.0216 12.0216 12.7382 12.7382 15.2353 15.2353 15.2552 15.2552 k = 0.4127 0.4127 0.4127 ( 3337 PWs) bands (ev): 4.1643 4.1643 4.2345 4.2345 4.2885 4.2885 4.3361 4.3361 4.5989 4.5989 4.6118 4.6118 5.9836 5.9836 5.9959 5.9959 6.0869 6.0869 6.1041 6.1041 6.5662 6.5662 6.5931 6.5931 6.8733 6.8733 7.3225 7.3225 7.4142 7.4142 8.6925 8.6925 10.0767 10.0767 10.3667 10.3667 11.0368 11.0368 11.6736 11.6736 11.9776 11.9776 12.5789 12.5789 15.2184 15.2184 15.2347 15.2347 k = 0.4206 0.4206 0.4206 ( 3337 PWs) bands (ev): 4.1574 4.1574 4.2246 4.2246 4.2721 4.2721 4.3264 4.3264 4.5978 4.5978 4.6086 4.6086 5.9859 5.9859 5.9949 5.9949 6.0833 6.0833 6.1038 6.1038 6.5698 6.5698 6.5916 6.5916 6.8924 6.8924 7.3479 7.3479 7.4237 7.4237 8.8452 8.8452 10.0927 10.0927 10.3823 10.3823 11.0662 11.0662 11.6274 11.6274 11.9316 11.9316 12.4250 12.4250 15.2025 15.2025 15.2157 15.2157 k = 0.4286 0.4286 0.4286 ( 3337 PWs) bands (ev): 4.1501 4.1501 4.2161 4.2161 4.2568 4.2568 4.3173 4.3173 4.5968 4.5968 4.6057 4.6057 5.9876 5.9876 5.9940 5.9940 6.0799 6.0799 6.1038 6.1038 6.5730 6.5730 6.5905 6.5905 6.9095 6.9095 7.3717 7.3717 7.4332 7.4332 8.9988 8.9988 10.1096 10.1096 10.3987 10.3987 11.0922 11.0922 11.5830 11.5830 11.8806 11.8806 12.2811 12.2811 15.1878 15.1878 15.1983 15.1983 k = 0.4365 0.4365 0.4365 ( 3337 PWs) bands (ev): 4.1425 4.1425 4.2090 4.2090 4.2427 4.2427 4.3091 4.3091 4.5959 4.5959 4.6030 4.6030 5.9888 5.9888 5.9931 5.9931 6.0769 6.0769 6.1040 6.1040 6.5759 6.5759 6.5896 6.5896 6.9247 6.9247 7.3938 7.3938 7.4424 7.4424 9.1525 9.1525 10.1276 10.1276 10.4154 10.4154 11.1132 11.1132 11.5409 11.5409 11.8180 11.8180 12.1549 12.1549 15.1745 15.1745 15.1826 15.1826 k = 0.4444 0.4444 0.4444 ( 3352 PWs) bands (ev): 4.1350 4.1350 4.2032 4.2032 4.2301 4.2301 4.3016 4.3016 4.5951 4.5951 4.6006 4.6006 5.9895 5.9895 5.9923 5.9923 6.0741 6.0741 6.1043 6.1043 6.5784 6.5784 6.5888 6.5888 6.9380 6.9380 7.4140 7.4140 7.4511 7.4511 9.3054 9.3054 10.1468 10.1468 10.4320 10.4320 11.1266 11.1266 11.5015 11.5015 11.7363 11.7363 12.0567 12.0567 15.1625 15.1625 15.1686 15.1686 k = 0.4524 0.4524 0.4524 ( 3358 PWs) bands (ev): 4.1279 4.1279 4.1985 4.1985 4.2189 4.2189 4.2950 4.2950 4.5944 4.5944 4.5985 4.5985 5.9898 5.9898 5.9915 5.9915 6.0718 6.0718 6.1048 6.1048 6.5807 6.5807 6.5883 6.5883 6.9493 6.9493 7.4319 7.4319 7.4591 7.4591 9.4556 9.4556 10.1681 10.1681 10.4482 10.4482 11.1285 11.1285 11.4653 11.4653 11.6364 11.6364 11.9898 11.9898 15.1520 15.1520 15.1564 15.1564 k = 0.4603 0.4603 0.4603 ( 3358 PWs) bands (ev): 4.1214 4.1214 4.1948 4.1948 4.2093 4.2093 4.2893 4.2893 4.5938 4.5938 4.5966 4.5966 5.9898 5.9898 5.9909 5.9909 6.0698 6.0698 6.1054 6.1054 6.5826 6.5826 6.5879 6.5879 6.9588 6.9588 7.4474 7.4474 7.4662 7.4662 9.6006 9.6006 10.1934 10.1934 10.4634 10.4634 11.1110 11.1110 11.4330 11.4330 11.5335 11.5335 11.9469 11.9469 15.1430 15.1430 15.1460 15.1460 k = 0.4683 0.4683 0.4683 ( 3358 PWs) bands (ev): 4.1159 4.1159 4.1919 4.1919 4.2014 4.2014 4.2846 4.2846 4.5933 4.5933 4.5951 4.5951 5.9898 5.9898 5.9903 5.9903 6.0681 6.0681 6.1060 6.1060 6.5842 6.5842 6.5876 6.5876 6.9665 6.9665 7.4603 7.4603 7.4723 7.4723 9.7350 9.7350 10.2265 10.2265 10.4770 10.4770 11.0625 11.0625 11.4053 11.4053 11.4488 11.4488 11.9193 11.9193 15.1356 15.1356 15.1375 15.1375 k = 0.4762 0.4762 0.4762 ( 3349 PWs) bands (ev): 4.1114 4.1114 4.1897 4.1897 4.1951 4.1951 4.2809 4.2809 4.5929 4.5929 4.5940 4.5940 5.9896 5.9896 5.9899 5.9899 6.0668 6.0668 6.1065 6.1065 6.5855 6.5855 6.5874 6.5874 6.9724 6.9724 7.4705 7.4705 7.4772 7.4772 9.8500 9.8500 10.2746 10.2746 10.4885 10.4885 10.9767 10.9767 11.3827 11.3827 11.3952 11.3952 11.9013 11.9013 15.1298 15.1298 15.1309 15.1309 k = 0.4841 0.4841 0.4841 ( 3328 PWs) bands (ev): 4.1081 4.1081 4.1882 4.1882 4.1907 4.1907 4.2783 4.2783 4.5926 4.5926 4.5931 4.5931 5.9894 5.9894 5.9895 5.9895 6.0659 6.0659 6.1069 6.1069 6.5864 6.5864 6.5873 6.5873 6.9766 6.9766 7.4778 7.4778 7.4808 7.4808 9.9341 9.9341 10.3463 10.3463 10.4972 10.4972 10.8641 10.8641 11.3661 11.3661 11.3678 11.3678 11.8901 11.8901 15.1257 15.1257 15.1261 15.1261 k = 0.4921 0.4921 0.4921 ( 3328 PWs) bands (ev): 4.1061 4.1061 4.1874 4.1874 4.1880 4.1880 4.2767 4.2767 4.5925 4.5925 4.5926 4.5926 5.9893 5.9893 5.9893 5.9893 6.0654 6.0654 6.1072 6.1072 6.5870 6.5870 6.5872 6.5872 6.9792 6.9792 7.4823 7.4823 7.4830 7.4830 9.9816 9.9816 10.4392 10.4392 10.5027 10.5027 10.7447 10.7447 11.3558 11.3558 11.3558 11.3558 11.8839 11.8839 15.1232 15.1232 15.1233 15.1233 k = 0.5000 0.5000 0.5000 ( 3328 PWs) bands (ev): 4.1054 4.1054 4.1871 4.1871 4.1871 4.1871 4.2761 4.2761 4.5924 4.5924 4.5924 4.5924 5.9893 5.9893 5.9893 5.9893 6.0652 6.0652 6.1073 6.1073 6.5871 6.5871 6.5871 6.5871 6.9800 6.9800 7.4838 7.4838 7.4838 7.4838 9.9964 9.9964 10.5045 10.5045 10.5045 10.5045 10.6710 10.6710 11.3524 11.3524 11.3524 11.3524 11.8820 11.8820 15.1223 15.1223 15.1223 15.1223 k = 0.5000 0.5000 0.5000 ( 3328 PWs) bands (ev): 4.1054 4.1054 4.1871 4.1871 4.1871 4.1871 4.2761 4.2761 4.5924 4.5924 4.5924 4.5924 5.9893 5.9893 5.9893 5.9893 6.0652 6.0652 6.1073 6.1073 6.5871 6.5871 6.5871 6.5871 6.9800 6.9800 7.4838 7.4838 7.4838 7.4838 9.9964 9.9964 10.5045 10.5045 10.5045 10.5045 10.6710 10.6710 11.3524 11.3524 11.3524 11.3524 11.8820 11.8820 15.1223 15.1223 15.1223 15.1223 k = 0.4902 0.5000 0.4902 ( 3328 PWs) bands (ev): 4.1061 4.1061 4.1874 4.1874 4.1879 4.1879 4.2767 4.2767 4.5925 4.5925 4.5926 4.5926 5.9893 5.9893 5.9894 5.9894 6.0654 6.0654 6.1072 6.1072 6.5870 6.5870 6.5872 6.5872 6.9791 6.9791 7.4823 7.4823 7.4830 7.4830 9.9815 9.9815 10.4388 10.4388 10.5018 10.5018 10.7462 10.7462 11.3540 11.3540 11.3577 11.3577 11.8840 11.8840 15.1222 15.1222 15.1243 15.1243 k = 0.4804 0.5000 0.4804 ( 3328 PWs) bands (ev): 4.1081 4.1081 4.1884 4.1884 4.1906 4.1906 4.2783 4.2783 4.5927 4.5927 4.5931 4.5931 5.9894 5.9894 5.9896 5.9897 6.0660 6.0660 6.1069 6.1069 6.5864 6.5864 6.5872 6.5872 6.9766 6.9766 7.4778 7.4778 7.4807 7.4807 9.9340 9.9340 10.3443 10.3443 10.4939 10.4939 10.8698 10.8698 11.3587 11.3587 11.3747 11.3747 11.8903 11.8903 15.1218 15.1218 15.1301 15.1301 k = 0.4706 0.5000 0.4706 ( 3342 PWs) bands (ev): 4.1115 4.1115 4.1901 4.1901 4.1949 4.1949 4.2810 4.2810 4.5930 4.5930 4.5939 4.5939 5.9894 5.9894 5.9901 5.9901 6.0669 6.0669 6.1065 6.1065 6.5855 6.5855 6.5874 6.5874 6.9723 6.9723 7.4705 7.4705 7.4769 7.4769 9.8520 9.8520 10.2675 10.2675 10.4819 10.4819 10.9926 10.9926 11.3664 11.3664 11.4065 11.4065 11.9022 11.9022 15.1209 15.1209 15.1398 15.1398 k = 0.4608 0.5000 0.4608 ( 3350 PWs) bands (ev): 4.1161 4.1161 4.1925 4.1925 4.2011 4.2011 4.2848 4.2848 4.5934 4.5934 4.5951 4.5951 5.9895 5.9895 5.9907 5.9907 6.0682 6.0682 6.1060 6.1060 6.5842 6.5842 6.5875 6.5875 6.9663 6.9663 7.4602 7.4602 7.4716 7.4716 9.7416 9.7416 10.2086 10.2086 10.4675 10.4675 11.0995 11.0995 11.3771 11.3771 11.4581 11.4581 11.9221 11.9221 15.1195 15.1195 15.1534 15.1534 k = 0.4510 0.5000 0.4510 ( 3362 PWs) bands (ev): 4.1219 4.1219 4.1956 4.1956 4.2089 4.2089 4.2896 4.2896 4.5939 4.5939 4.5966 4.5966 5.9895 5.9895 5.9914 5.9914 6.0699 6.0699 6.1053 6.1053 6.5826 6.5826 6.5878 6.5878 6.9586 6.9586 7.4472 7.4472 7.4651 7.4651 9.6139 9.6139 10.1579 10.1579 10.4527 10.4527 11.1822 11.1822 11.3906 11.3906 11.5303 11.5303 11.9546 11.9546 15.1174 15.1174 15.1708 15.1708 k = 0.4412 0.5000 0.4412 ( 3376 PWs) bands (ev): 4.1288 4.1288 4.1994 4.1994 4.2184 4.2184 4.2953 4.2953 4.5945 4.5945 4.5984 4.5984 5.9894 5.9894 5.9922 5.9922 6.0719 6.0719 6.1046 6.1046 6.5807 6.5807 6.5881 6.5881 6.9490 6.9490 7.4315 7.4315 7.4574 7.4574 9.4777 9.4777 10.1069 10.1069 10.4394 10.4394 11.2424 11.2424 11.4068 11.4068 11.6125 11.6125 12.0073 12.0073 15.1143 15.1143 15.1919 15.1919 k = 0.4314 0.5000 0.4314 ( 3364 PWs) bands (ev): 4.1366 4.1366 4.2039 4.2039 4.2296 4.2296 4.3021 4.3021 4.5953 4.5953 4.6005 4.6005 5.9892 5.9892 5.9931 5.9931 6.0744 6.0744 6.1040 6.1040 6.5784 6.5784 6.5886 6.5886 6.9377 6.9377 7.4132 7.4132 7.4487 7.4487 9.3380 9.3380 10.0510 10.0510 10.4288 10.4288 11.2884 11.2884 11.4255 11.4255 11.6871 11.6871 12.0882 12.0882 15.1102 15.1102 15.2167 15.2167 k = 0.4216 0.5000 0.4216 ( 3360 PWs) bands (ev): 4.1453 4.1453 4.2092 4.2092 4.2424 4.2424 4.3098 4.3098 4.5962 4.5962 4.6029 4.6029 5.9888 5.9888 5.9940 5.9940 6.0772 6.0772 6.1033 6.1033 6.5759 6.5759 6.5891 6.5891 6.9246 6.9246 7.3924 7.3924 7.4391 7.4391 9.1978 9.1978 9.9882 9.9882 10.4216 10.4216 11.3273 11.3273 11.4466 11.4466 11.7446 11.7446 12.1989 12.1989 15.1048 15.1048 15.2451 15.2451 k = 0.4118 0.5000 0.4118 ( 3352 PWs) bands (ev): 4.1546 4.1546 4.2153 4.2153 4.2566 4.2566 4.3183 4.3183 4.5972 4.5972 4.6055 4.6055 5.9883 5.9883 5.9948 5.9948 6.0805 6.0805 6.1027 6.1027 6.5730 6.5730 6.5899 6.5899 6.9096 6.9096 7.3694 7.3694 7.4288 7.4288 9.0588 9.0588 9.9181 9.9181 10.4179 10.4179 11.3630 11.3630 11.4702 11.4702 11.7877 11.7877 12.3322 12.3322 15.0980 15.0980 15.2771 15.2771 k = 0.4020 0.5000 0.4020 ( 3348 PWs) bands (ev): 4.1643 4.1643 4.2224 4.2224 4.2722 4.2722 4.3277 4.3277 4.5982 4.5982 4.6083 4.6083 5.9874 5.9874 5.9957 5.9957 6.0841 6.0841 6.1021 6.1021 6.5698 6.5698 6.5908 6.5908 6.8929 6.8929 7.3442 7.3442 7.4180 7.4180 8.9222 8.9222 9.8411 9.8411 10.4174 10.4174 11.3976 11.3976 11.4963 11.4963 11.8222 11.8222 12.4795 12.4795 15.0897 15.0897 15.3126 15.3126 k = 0.3922 0.5000 0.3922 ( 3348 PWs) bands (ev): 4.1744 4.1744 4.2303 4.2303 4.2890 4.2890 4.3378 4.3378 4.5994 4.5994 4.6113 4.6113 5.9864 5.9864 5.9964 5.9964 6.0881 6.0881 6.1015 6.1015 6.5663 6.5663 6.5919 6.5919 6.8744 6.8744 7.3171 7.3171 7.4068 7.4068 8.7888 8.7888 9.7581 9.7581 10.4197 10.4197 11.4318 11.4318 11.5249 11.5249 11.8527 11.8527 12.6346 12.6346 15.0799 15.0799 15.3514 15.3514 k = 0.3824 0.5000 0.3824 ( 3344 PWs) bands (ev): 4.1846 4.1846 4.2393 4.2393 4.3067 4.3067 4.3486 4.3486 4.6007 4.6007 4.6144 4.6144 5.9850 5.9850 5.9970 5.9970 6.0923 6.0923 6.1009 6.1009 6.5625 6.5625 6.5932 6.5932 6.8541 6.8541 7.2881 7.2881 7.3953 7.3953 8.6593 8.6593 9.6699 9.6699 10.4246 10.4246 11.4661 11.4661 11.5560 11.5560 11.8819 11.8819 12.7939 12.7939 15.0685 15.0685 15.3935 15.3935 k = 0.3725 0.5000 0.3725 ( 3348 PWs) bands (ev): 4.1948 4.1948 4.2493 4.2493 4.3253 4.3253 4.3601 4.3601 4.6020 4.6020 4.6177 4.6177 5.9833 5.9833 5.9976 5.9976 6.0968 6.0968 6.1002 6.1002 6.5583 6.5583 6.5948 6.5948 6.8323 6.8323 7.2577 7.2577 7.3837 7.3837 8.5341 8.5341 9.5774 9.5774 10.4317 10.4317 11.5007 11.5007 11.5898 11.5898 11.9111 11.9111 12.9553 12.9553 15.0556 15.0556 15.4387 15.4387 k = 0.3627 0.5000 0.3627 ( 3348 PWs) bands (ev): 4.2047 4.2047 4.2605 4.2605 4.3444 4.3444 4.3723 4.3723 4.6035 4.6035 4.6211 4.6211 5.9814 5.9814 5.9979 5.9979 6.0986 6.0986 6.1022 6.1022 6.5538 6.5538 6.5967 6.5967 6.8091 6.8091 7.2259 7.2259 7.3721 7.3721 8.4138 8.4138 9.4816 9.4816 10.4411 10.4411 11.5355 11.5355 11.6262 11.6262 11.9413 11.9413 13.1174 13.1174 15.0412 15.0412 15.4868 15.4868 k = 0.3529 0.5000 0.3529 ( 3342 PWs) bands (ev): 4.2144 4.2144 4.2727 4.2727 4.3635 4.3635 4.3853 4.3853 4.6050 4.6050 4.6244 4.6244 5.9790 5.9790 5.9982 5.9982 6.0972 6.0972 6.1071 6.1071 6.5490 6.5490 6.5989 6.5989 6.7848 6.7848 7.1931 7.1931 7.3606 7.3606 8.2987 8.2987 9.3832 9.3832 10.4524 10.4524 11.5706 11.5706 11.6651 11.6651 11.9728 11.9728 13.2792 13.2792 15.0254 15.0254 15.5378 15.5379 k = 0.3431 0.5000 0.3431 ( 3346 PWs) bands (ev): 4.2239 4.2239 4.2859 4.2859 4.3820 4.3820 4.3996 4.3996 4.6066 4.6066 4.6278 4.6278 5.9762 5.9762 5.9983 5.9983 6.0952 6.0952 6.1123 6.1123 6.5437 6.5437 6.6013 6.6013 6.7596 6.7596 7.1595 7.1595 7.3492 7.3492 8.1892 8.1892 9.2828 9.2828 10.4657 10.4657 11.6060 11.6060 11.7064 11.7064 12.0060 12.0060 13.4402 13.4402 15.0082 15.0082 15.5915 15.5915 k = 0.3333 0.5000 0.3333 ( 3350 PWs) bands (ev): 4.2330 4.2330 4.2999 4.2999 4.3990 4.3990 4.4157 4.4157 4.6082 4.6082 4.6311 4.6311 5.9728 5.9728 5.9983 5.9983 6.0924 6.0924 6.1174 6.1174 6.5378 6.5378 6.6041 6.6041 6.7342 6.7342 7.1256 7.1256 7.3380 7.3380 8.0855 8.0855 9.1813 9.1813 10.4809 10.4809 11.6416 11.6416 11.7500 11.7500 12.0413 12.0413 13.5998 13.5998 14.9899 14.9899 15.6477 15.6477 k = 0.3235 0.5000 0.3235 ( 3342 PWs) bands (ev): 4.2420 4.2420 4.3145 4.3145 4.4141 4.4141 4.4336 4.4336 4.6100 4.6100 4.6343 4.6343 5.9686 5.9686 5.9979 5.9979 6.0889 6.0889 6.1224 6.1224 6.5312 6.5312 6.6071 6.6071 6.7093 6.7093 7.0917 7.0917 7.3270 7.3270 7.9878 7.9878 9.0792 9.0792 10.4981 10.4981 11.6774 11.6774 11.7955 11.7955 12.0790 12.0790 13.7577 13.7577 14.9705 14.9705 15.7061 15.7061 k = 0.3137 0.5000 0.3137 ( 3344 PWs) bands (ev): 4.2507 4.2507 4.3296 4.3296 4.4278 4.4278 4.4525 4.4525 4.6117 4.6117 4.6373 4.6373 5.9633 5.9633 5.9971 5.9971 6.0846 6.0846 6.1269 6.1269 6.5239 6.5239 6.6101 6.6101 6.6860 6.6860 7.0581 7.0581 7.3164 7.3164 7.8961 7.8961 8.9770 8.9770 10.5172 10.5172 11.7133 11.7133 11.8425 11.8425 12.1196 12.1196 13.9136 13.9136 14.9504 14.9504 15.7666 15.7666 k = 0.3039 0.5000 0.3039 ( 3350 PWs) bands (ev): 4.2592 4.2592 4.3450 4.3450 4.4408 4.4408 4.4716 4.4716 4.6135 4.6135 4.6401 4.6401 5.9565 5.9565 5.9955 5.9955 6.0800 6.0800 6.1309 6.1309 6.5156 6.5156 6.6121 6.6121 6.6660 6.6660 7.0252 7.0252 7.3060 7.3060 7.8106 7.8106 8.8752 8.8752 10.5385 10.5385 11.7492 11.7492 11.8904 11.8904 12.1636 12.1636 14.0672 14.0672 14.9298 14.9298 15.8289 15.8289 k = 0.2941 0.5000 0.2941 ( 3350 PWs) bands (ev): 4.2675 4.2675 4.3605 4.3605 4.4532 4.4532 4.4903 4.4903 4.6153 4.6153 4.6427 4.6427 5.9476 5.9476 5.9929 5.9929 6.0753 6.0753 6.1341 6.1341 6.5064 6.5064 6.6111 6.6111 6.6524 6.6524 6.9935 6.9935 7.2960 7.2960 7.7310 7.7310 8.7744 8.7744 10.5618 10.5618 11.7850 11.7850 11.9386 11.9386 12.2117 12.2117 14.2179 14.2179 14.9093 14.9093 15.8926 15.8926 k = 0.2843 0.5000 0.2843 ( 3356 PWs) bands (ev): 4.2756 4.2756 4.3760 4.3760 4.4651 4.4651 4.5083 4.5083 4.6171 4.6171 4.6451 4.6451 5.9356 5.9356 5.9889 5.9889 6.0713 6.0713 6.1362 6.1362 6.4966 6.4966 6.6048 6.6048 6.6481 6.6481 6.9633 6.9633 7.2864 7.2864 7.6571 7.6571 8.6749 8.6749 10.5874 10.5874 11.8206 11.8206 11.9863 11.9863 12.2648 12.2648 14.3647 14.3647 14.8901 14.8901 15.9574 15.9574 k = 0.2745 0.5000 0.2745 ( 3352 PWs) bands (ev): 4.2836 4.2836 4.3913 4.3913 4.4764 4.4764 4.5255 4.5255 4.6188 4.6188 4.6472 4.6472 5.9197 5.9197 5.9838 5.9838 6.0683 6.0683 6.1373 6.1373 6.4867 6.4867 6.5956 6.5956 6.6508 6.6508 6.9349 6.9349 7.2771 7.2771 7.5888 7.5888 8.5770 8.5770 10.6152 10.6152 11.8559 11.8559 12.0328 12.0328 12.3237 12.3237 14.5049 14.5049 14.8750 14.8750 16.0222 16.0222 k = 0.2647 0.5000 0.2647 ( 3356 PWs) bands (ev): 4.2914 4.2914 4.4062 4.4062 4.4870 4.4870 4.5415 4.5415 4.6204 4.6204 4.6492 4.6492 5.8991 5.8991 5.9779 5.9779 6.0664 6.0664 6.1374 6.1374 6.4775 6.4775 6.5868 6.5868 6.6572 6.6572 6.9086 6.9086 7.2684 7.2684 7.5258 7.5258 8.4812 8.4812 10.6455 10.6455 11.8907 11.8907 12.0774 12.0774 12.3889 12.3889 14.6291 14.6291 14.8738 14.8738 16.0829 16.0829 k = 0.2549 0.5000 0.2549 ( 3342 PWs) bands (ev): 4.2990 4.2990 4.4206 4.4206 4.4969 4.4969 4.5563 4.5563 4.6218 4.6218 4.6511 4.6511 5.8739 5.8739 5.9716 5.9716 6.0650 6.0650 6.1368 6.1368 6.4697 6.4697 6.5792 6.5792 6.6655 6.6655 6.8849 6.8849 7.2601 7.2601 7.4676 7.4676 8.3878 8.3878 10.6784 10.6784 11.9248 11.9248 12.1200 12.1200 12.4607 12.4607 14.7074 14.7074 14.9164 14.9164 16.0988 16.0988 k = 0.2451 0.5000 0.2451 ( 3342 PWs) bands (ev): 4.3063 4.3063 4.4344 4.4344 4.5059 4.5059 4.5696 4.5696 4.6229 4.6229 4.6530 4.6530 5.8446 5.8446 5.9654 5.9654 6.0635 6.0635 6.1361 6.1361 6.4634 6.4634 6.5729 6.5729 6.6749 6.6749 6.8641 6.8641 7.2524 7.2524 7.4142 7.4142 8.2969 8.2969 10.7139 10.7139 11.9582 11.9582 12.1605 12.1605 12.5391 12.5391 14.7238 14.7238 15.0189 15.0189 16.0409 16.0409 k = 0.2353 0.5000 0.2353 ( 3350 PWs) bands (ev): 4.3134 4.3134 4.4474 4.4474 4.5140 4.5140 4.5811 4.5811 4.6237 4.6237 4.6550 4.6550 5.8122 5.8122 5.9593 5.9593 6.0610 6.0610 6.1360 6.1360 6.4587 6.4587 6.5675 6.5675 6.6848 6.6848 6.8469 6.8469 7.2452 7.2452 7.3652 7.3652 8.2088 8.2088 10.7522 10.7522 11.9906 11.9906 12.1990 12.1990 12.6240 12.6240 14.7126 14.7126 15.1470 15.1470 15.9696 15.9696 k = 0.2255 0.5000 0.2255 ( 3350 PWs) bands (ev): 4.3202 4.3202 4.4595 4.4595 4.5211 4.5211 4.5907 4.5907 4.6241 4.6241 4.6573 4.6573 5.7780 5.7780 5.9533 5.9533 6.0568 6.0568 6.1370 6.1370 6.4553 6.4553 6.5623 6.5623 6.6944 6.6944 6.8338 6.8338 7.2382 7.2382 7.3208 7.3208 8.1238 8.1238 10.7934 10.7934 12.0220 12.0220 12.2359 12.2359 12.7151 12.7151 14.6929 14.6929 15.2811 15.2811 15.8948 15.8948 k = 0.2157 0.5000 0.2157 ( 3354 PWs) bands (ev): 4.3268 4.3268 4.4707 4.4707 4.5271 4.5271 4.5983 4.5983 4.6240 4.6240 4.6598 4.6598 5.7432 5.7432 5.9475 5.9475 6.0508 6.0508 6.1394 6.1394 6.4527 6.4527 6.5569 6.5569 6.7029 6.7029 6.8259 6.8259 7.2302 7.2302 7.2824 7.2824 8.0419 8.0419 10.8378 10.8378 12.0521 12.0521 12.2715 12.2715 12.8120 12.8120 14.6700 14.6700 15.4136 15.4136 15.8204 15.8204 k = 0.2059 0.5000 0.2059 ( 3354 PWs) bands (ev): 4.3330 4.3330 4.4808 4.4808 4.5320 4.5320 4.6036 4.6036 4.6236 4.6236 4.6626 4.6626 5.7091 5.7091 5.9418 5.9418 6.0431 6.0431 6.1431 6.1431 6.4503 6.4503 6.5510 6.5510 6.7094 6.7094 6.8235 6.8235 7.2157 7.2157 7.2552 7.2552 7.9633 7.9633 10.8852 10.8852 12.0808 12.0808 12.3059 12.3059 12.9143 12.9143 14.6458 14.6458 15.5303 15.5303 15.7591 15.7591 k = 0.1961 0.5000 0.1961 ( 3346 PWs) bands (ev): 4.3390 4.3390 4.4898 4.4898 4.5356 4.5356 4.6065 4.6065 4.6229 4.6229 4.6656 4.6656 5.6767 5.6767 5.9364 5.9364 6.0342 6.0342 6.1477 6.1477 6.4479 6.4479 6.5442 6.5442 6.7138 6.7138 6.8265 6.8265 7.1901 7.1901 7.2442 7.2442 7.8881 7.8881 10.9360 10.9360 12.1081 12.1081 12.3395 12.3395 13.0215 13.0215 14.6210 14.6210 15.5671 15.5671 15.7747 15.7747 k = 0.1863 0.5000 0.1863 ( 3350 PWs) bands (ev): 4.3446 4.3446 4.4976 4.4976 4.5382 4.5382 4.6068 4.6068 4.6223 4.6223 4.6685 4.6685 5.6467 5.6467 5.9312 5.9312 6.0244 6.0244 6.1530 6.1530 6.4448 6.4448 6.5367 6.5367 6.7167 6.7167 6.8336 6.8336 7.1609 7.1609 7.2418 7.2418 7.8164 7.8164 10.9902 10.9902 12.1338 12.1338 12.3723 12.3723 13.1333 13.1333 14.5961 14.5961 15.5063 15.5063 15.8844 15.8844 k = 0.1765 0.5000 0.1765 ( 3346 PWs) bands (ev): 4.3500 4.3500 4.5040 4.5040 4.5396 4.5396 4.6044 4.6044 4.6221 4.6221 4.6714 4.6714 5.6199 5.6199 5.9263 5.9263 6.0143 6.0143 6.1586 6.1586 6.4407 6.4407 6.5287 6.5287 6.7188 6.7188 6.8428 6.8428 7.1328 7.1328 7.2437 7.2437 7.7483 7.7483 11.0478 11.0478 12.1580 12.1580 12.4045 12.4045 13.2492 13.2492 14.5714 14.5714 15.4195 15.4195 16.0165 16.0165 k = 0.1667 0.5000 0.1667 ( 3342 PWs) bands (ev): 4.3550 4.3550 4.5090 4.5090 4.5400 4.5400 4.5995 4.5995 4.6222 4.6222 4.6740 4.6740 5.5968 5.5968 5.9216 5.9216 6.0041 6.0041 6.1642 6.1642 6.4353 6.4353 6.5207 6.5207 6.7210 6.7210 6.8525 6.8525 7.1071 7.1071 7.2487 7.2487 7.6837 7.6837 11.1089 11.1089 12.1807 12.1807 12.4361 12.4361 13.3686 13.3686 14.5470 14.5470 15.3242 15.3242 16.1531 16.1531 k = 0.1569 0.5000 0.1569 ( 3358 PWs) bands (ev): 4.3596 4.3596 4.5122 4.5122 4.5395 4.5395 4.5927 4.5927 4.6225 4.6225 4.6763 4.6763 5.5775 5.5775 5.9172 5.9172 5.9942 5.9942 6.1696 6.1696 6.4282 6.4282 6.5135 6.5135 6.7234 6.7234 6.8612 6.8612 7.0841 7.0841 7.2566 7.2566 7.6228 7.6228 11.1736 11.1736 12.2018 12.2018 12.4670 12.4670 13.4909 13.4909 14.5231 14.5231 15.2238 15.2238 16.2891 16.2891 k = 0.1471 0.5000 0.1471 ( 3366 PWs) bands (ev): 4.3640 4.3640 4.5136 4.5136 4.5379 4.5379 4.5848 4.5848 4.6228 4.6228 4.6784 4.6784 5.5621 5.5621 5.9132 5.9132 5.9848 5.9848 6.1745 6.1745 6.4196 6.4196 6.5072 6.5072 6.7262 6.7262 6.8681 6.8681 7.0639 7.0639 7.2672 7.2672 7.5656 7.5656 11.2416 11.2416 12.2215 12.2215 12.4971 12.4971 13.6155 13.6155 14.4998 14.4998 15.1195 15.1195 16.4099 16.4099 k = 0.1373 0.5000 0.1373 ( 3366 PWs) bands (ev): 4.3680 4.3680 4.5133 4.5133 4.5344 4.5344 4.5772 4.5772 4.6231 4.6231 4.6802 4.6802 5.5504 5.5504 5.9094 5.9094 5.9760 5.9760 6.1789 6.1789 6.4097 6.4097 6.5021 6.5021 6.7292 6.7292 6.8725 6.8725 7.0466 7.0466 7.2800 7.2800 7.5122 7.5122 11.3130 11.3130 12.2398 12.2398 12.5264 12.5264 13.7414 13.7414 14.4771 14.4771 15.0121 15.0121 16.4499 16.4499 k = 0.1275 0.5000 0.1275 ( 3360 PWs) bands (ev): 4.3717 4.3717 4.5113 4.5113 4.5277 4.5277 4.5716 4.5716 4.6233 4.6233 4.6818 4.6818 5.5421 5.5421 5.9060 5.9060 5.9682 5.9682 6.1825 6.1825 6.3991 6.3991 6.4982 6.4982 6.7322 6.7322 6.8744 6.8744 7.0319 7.0319 7.2945 7.2945 7.4630 7.4630 11.3875 11.3875 12.2571 12.2571 12.5548 12.5548 13.8678 13.8678 14.4551 14.4551 14.9021 14.9021 16.4598 16.4598 k = 0.1176 0.5000 0.1176 ( 3364 PWs) bands (ev): 4.3750 4.3750 4.5077 4.5077 4.5178 4.5178 4.5686 4.5686 4.6234 4.6234 4.6830 4.6830 5.5368 5.5368 5.9028 5.9028 5.9613 5.9613 6.1853 6.1853 6.3882 6.3882 6.4950 6.4950 6.7350 6.7350 6.8742 6.8742 7.0197 7.0197 7.3091 7.3091 7.4188 7.4188 11.4649 11.4649 12.2734 12.2734 12.5820 12.5820 13.9935 13.9935 14.4334 14.4334 14.7905 14.7905 16.4701 16.4701 k = 0.1078 0.5000 0.1078 ( 3364 PWs) bands (ev): 4.3780 4.3780 4.5002 4.5002 4.5085 4.5085 4.5676 4.5676 4.6234 4.6234 4.6841 4.6841 5.5340 5.5340 5.8999 5.8999 5.9555 5.9555 6.1872 6.1872 6.3778 6.3778 6.4924 6.4924 6.7374 6.7374 6.8725 6.8725 7.0093 7.0093 7.3196 7.3196 7.3834 7.3834 11.5445 11.5445 12.2890 12.2890 12.6079 12.6079 14.1171 14.1171 14.4115 14.4115 14.6788 14.6788 16.4839 16.4839 k = 0.0980 0.5000 0.0980 ( 3352 PWs) bands (ev): 4.3806 4.3806 4.4869 4.4869 4.5032 4.5032 4.5678 4.5678 4.6232 4.6232 4.6849 4.6849 5.5333 5.5333 5.8971 5.8971 5.9508 5.9508 6.1881 6.1881 6.3682 6.3682 6.4901 6.4901 6.7394 6.7394 6.8699 6.8699 7.0003 7.0003 7.3114 7.3114 7.3709 7.3709 11.6259 11.6259 12.3043 12.3043 12.6324 12.6324 14.2364 14.2364 14.3874 14.3874 14.5703 14.5703 16.5021 16.5021 k = 0.0882 0.5000 0.0882 ( 3364 PWs) bands (ev): 4.3829 4.3829 4.4720 4.4720 4.4988 4.4988 4.5685 4.5685 4.6229 4.6229 4.6855 4.6855 5.5341 5.5341 5.8945 5.8945 5.9472 5.9472 6.1882 6.1882 6.3599 6.3599 6.4879 6.4879 6.7407 6.7407 6.8675 6.8675 6.9921 6.9921 7.2849 7.2849 7.3804 7.3804 11.7080 11.7080 12.3197 12.3197 12.6552 12.6552 14.3304 14.3304 14.3703 14.3703 14.4762 14.4762 16.5250 16.5250 k = 0.0784 0.5000 0.0784 ( 3366 PWs) bands (ev): 4.3849 4.3849 4.4572 4.4572 4.4948 4.4948 4.5693 4.5693 4.6225 4.6225 4.6860 4.6860 5.5360 5.5360 5.8921 5.8921 5.9446 5.9446 6.1874 6.1874 6.3530 6.3530 6.4856 6.4856 6.7413 6.7413 6.8657 6.8657 6.9840 6.9840 7.2561 7.2561 7.3954 7.3954 11.7894 11.7894 12.3359 12.3359 12.6763 12.6763 14.2742 14.2742 14.4100 14.4100 14.4712 14.4712 16.5528 16.5528 k = 0.0686 0.5000 0.0686 ( 3362 PWs) bands (ev): 4.3863 4.3863 4.4432 4.4432 4.4911 4.4911 4.5702 4.5702 4.6221 4.6221 4.6863 4.6863 5.5385 5.5385 5.8899 5.8899 5.9429 5.9429 6.1861 6.1861 6.3477 6.3477 6.4832 6.4832 6.7413 6.7413 6.8651 6.8651 6.9758 6.9758 7.2298 7.2298 7.4108 7.4108 11.8684 11.8684 12.3537 12.3537 12.6956 12.6956 14.1772 14.1772 14.3833 14.3833 14.5684 14.5684 16.5848 16.5848 k = 0.0588 0.5000 0.0588 ( 3366 PWs) bands (ev): 4.3873 4.3873 4.4307 4.4307 4.4877 4.4877 4.5710 4.5710 4.6216 4.6216 4.6865 4.6865 5.5413 5.5413 5.8879 5.8879 5.9419 5.9419 6.1843 6.1843 6.3438 6.3438 6.4806 6.4806 6.7408 6.7408 6.8661 6.8661 6.9670 6.9670 7.2069 7.2069 7.4253 7.4253 11.9423 11.9423 12.3742 12.3742 12.7128 12.7128 14.0731 14.0731 14.3661 14.3661 14.6586 14.6586 16.6201 16.6201 k = 0.0490 0.5000 0.0490 ( 3370 PWs) bands (ev): 4.3875 4.3875 4.4202 4.4202 4.4848 4.4848 4.5716 4.5716 4.6211 4.6211 4.6866 4.6866 5.5442 5.5442 5.8861 5.8861 5.9414 5.9414 6.1824 6.1824 6.3411 6.3411 6.4778 6.4778 6.7400 6.7400 6.8687 6.8687 6.9577 6.9577 7.1879 7.1879 7.4382 7.4382 12.0083 12.0083 12.3984 12.3984 12.7280 12.7280 13.9714 13.9714 14.3535 14.3535 14.7375 14.7375 16.6570 16.6570 k = 0.0392 0.5000 0.0392 ( 3374 PWs) bands (ev): 4.3867 4.3867 4.4122 4.4122 4.4823 4.4823 4.5722 4.5722 4.6206 4.6206 4.6867 4.6867 5.5469 5.5469 5.8846 5.8846 5.9413 5.9413 6.1805 6.1805 6.3396 6.3396 6.4750 6.4750 6.7390 6.7390 6.8729 6.8729 6.9477 6.9477 7.1727 7.1727 7.4492 7.4492 12.0632 12.0632 12.4266 12.4266 12.7410 12.7410 13.8772 13.8772 14.3440 14.3440 14.8036 14.8036 16.6929 16.6929 k = 0.0294 0.5000 0.0294 ( 3378 PWs) bands (ev): 4.3848 4.3848 4.4070 4.4070 4.4803 4.4803 4.5725 4.5725 4.6203 4.6203 4.6867 4.6867 5.5491 5.5491 5.8834 5.8834 5.9413 5.9413 6.1789 6.1789 6.3388 6.3388 6.4725 6.4725 6.7380 6.7380 6.8786 6.8786 6.9372 6.9372 7.1612 7.1612 7.4579 7.4579 12.1050 12.1050 12.4573 12.4573 12.7518 12.7518 13.7950 13.7950 14.3368 14.3368 14.8558 14.8558 16.7248 16.7248 k = 0.0196 0.5000 0.0196 ( 3378 PWs) bands (ev): 4.3825 4.3825 4.4042 4.4042 4.4788 4.4788 4.5728 4.5728 4.6200 4.6200 4.6866 4.6866 5.5508 5.5508 5.8826 5.8826 5.9414 5.9414 6.1776 6.1776 6.3385 6.3385 6.4704 6.4704 6.7372 6.7372 6.8856 6.8856 6.9267 6.9267 7.1532 7.1532 7.4643 7.4643 12.1334 12.1334 12.4860 12.4860 12.7601 12.7601 13.7301 13.7301 14.3317 14.3317 14.8935 14.8935 16.7501 16.7501 k = 0.0098 0.5000 0.0098 ( 3374 PWs) bands (ev): 4.3806 4.3806 4.4029 4.4029 4.4780 4.4780 4.5730 4.5730 4.6198 4.6198 4.6866 4.6866 5.5518 5.5518 5.8821 5.8821 5.9416 5.9416 6.1768 6.1768 6.3384 6.3384 6.4690 6.4690 6.7367 6.7367 6.8933 6.8933 6.9168 6.9168 7.1485 7.1485 7.4682 7.4682 12.1496 12.1496 12.5068 12.5068 12.7655 12.7655 13.6879 13.6879 14.3288 14.3288 14.9162 14.9162 16.7662 16.7662 k = 0.0000 0.5000-0.0000 ( 3362 PWs) bands (ev): 4.3799 4.3799 4.4026 4.4026 4.4777 4.4777 4.5731 4.5731 4.6198 4.6198 4.6866 4.6866 5.5522 5.5522 5.8819 5.8819 5.9416 5.9416 6.1766 6.1766 6.3384 6.3384 6.4686 6.4686 6.7365 6.7365 6.8984 6.8984 6.9110 6.9110 7.1470 7.1470 7.4695 7.4695 12.1548 12.1548 12.5145 12.5145 12.7674 12.7674 13.6732 13.6732 14.3278 14.3278 14.9238 14.9238 16.7717 16.7717 k = 0.5000 0.5000-0.0000 ( 3348 PWs) bands (ev): 4.4936 4.4936 4.5214 4.5214 4.6344 4.6344 4.6500 4.6500 4.6645 4.6645 4.6914 4.6914 6.0064 6.0064 6.1077 6.1077 6.2610 6.2610 6.2997 6.2997 6.3060 6.3060 6.3206 6.3206 6.5804 6.5804 6.7854 6.7854 6.8789 6.8789 7.0408 7.0408 9.3847 9.3847 9.4357 9.4357 9.8963 9.8963 13.0273 13.0273 13.0618 13.0618 14.5358 14.5358 15.4328 15.4328 15.7841 15.7841 k = 0.5000 0.5000 0.0139 ( 3348 PWs) bands (ev): 4.4931 4.4931 4.5208 4.5208 4.6332 4.6332 4.6481 4.6481 4.6652 4.6652 4.6909 4.6909 6.0060 6.0060 6.1065 6.1065 6.2630 6.2630 6.2877 6.2877 6.3053 6.3053 6.3333 6.3333 6.5808 6.5808 6.7857 6.7857 6.8806 6.8806 7.0455 7.0455 9.3853 9.3853 9.4367 9.4367 9.8986 9.8986 13.0256 13.0256 13.0607 13.0607 14.5368 14.5368 15.4331 15.4331 15.7766 15.7766 k = 0.5000 0.5000 0.0278 ( 3364 PWs) bands (ev): 4.4914 4.4914 4.5188 4.5188 4.6295 4.6295 4.6434 4.6434 4.6666 4.6666 4.6893 4.6893 6.0050 6.0050 6.1031 6.1031 6.2682 6.2682 6.2699 6.2699 6.3036 6.3036 6.3534 6.3534 6.5820 6.5820 6.7866 6.7866 6.8857 6.8857 7.0592 7.0592 9.3868 9.3868 9.4397 9.4397 9.9053 9.9053 13.0204 13.0204 13.0574 13.0574 14.5396 14.5396 15.4338 15.4338 15.7537 15.7537 k = 0.5000 0.5000 0.0417 ( 3360 PWs) bands (ev): 4.4885 4.4885 4.5156 4.5156 4.6236 4.6236 4.6367 4.6367 4.6677 4.6677 4.6867 4.6867 6.0034 6.0034 6.0981 6.0981 6.2522 6.2522 6.2743 6.2743 6.3030 6.3030 6.3749 6.3749 6.5840 6.5840 6.7883 6.7883 6.8941 6.8941 7.0818 7.0818 9.3895 9.3895 9.4447 9.4447 9.9164 9.9164 13.0118 13.0118 13.0520 13.0520 14.5444 14.5444 15.4351 15.4351 15.7153 15.7153 k = 0.5000 0.5000 0.0556 ( 3352 PWs) bands (ev): 4.4845 4.4845 4.5110 4.5110 4.6154 4.6154 4.6285 4.6285 4.6682 4.6682 4.6832 4.6832 6.0013 6.0013 6.0921 6.0921 6.2351 6.2351 6.2758 6.2758 6.3083 6.3083 6.3970 6.3970 6.5867 6.5867 6.7913 6.7913 6.9056 6.9056 7.1125 7.1125 9.3932 9.3932 9.4518 9.4518 9.9320 9.9320 12.9997 12.9997 13.0443 13.0443 14.5510 14.5510 15.4368 15.4368 15.6610 15.6610 k = 0.5000 0.5000 0.0694 ( 3348 PWs) bands (ev): 4.4792 4.4792 4.5052 4.5052 4.6052 4.6052 4.6191 4.6191 4.6680 4.6680 4.6788 4.6788 5.9989 5.9989 6.0856 6.0856 6.2190 6.2190 6.2710 6.2710 6.3207 6.3207 6.4193 6.4193 6.5902 6.5902 6.7958 6.7958 6.9199 6.9199 7.1508 7.1508 9.3981 9.3981 9.4609 9.4609 9.9519 9.9519 12.9841 12.9841 13.0343 13.0343 14.5594 14.5594 15.4389 15.4389 15.5907 15.5907 k = 0.5000 0.5000 0.0833 ( 3356 PWs) bands (ev): 4.4725 4.4725 4.4981 4.4981 4.5932 4.5932 4.6085 4.6085 4.6672 4.6672 4.6739 4.6739 5.9964 5.9964 6.0790 6.0790 6.2038 6.2038 6.2628 6.2628 6.3371 6.3371 6.4415 6.4415 6.5945 6.5945 6.8022 6.8022 6.9366 6.9366 7.1961 7.1961 9.4041 9.4041 9.4721 9.4721 9.9762 9.9762 12.9648 12.9648 13.0218 13.0218 14.5693 14.5693 15.4414 15.4414 15.5045 15.5045 k = 0.5000 0.5000 0.0972 ( 3356 PWs) bands (ev): 4.4645 4.4645 4.4899 4.4899 4.5795 4.5795 4.5968 4.5968 4.6658 4.6658 4.6686 4.6686 5.9939 5.9939 6.0726 6.0726 6.1898 6.1898 6.2530 6.2530 6.3555 6.3555 6.4630 6.4630 6.5995 6.5995 6.8110 6.8110 6.9555 6.9555 7.2478 7.2478 9.4114 9.4114 9.4854 9.4854 10.0046 10.0046 12.9418 12.9418 13.0068 13.0068 14.5806 14.5806 15.4031 15.4031 15.4440 15.4440 k = 0.5000 0.5000 0.1111 ( 3348 PWs) bands (ev): 4.4551 4.4551 4.4805 4.4805 4.5643 4.5643 4.5842 4.5842 4.6630 4.6630 4.6640 4.6640 5.9915 5.9915 6.0665 6.0665 6.1768 6.1768 6.2423 6.2423 6.3749 6.3749 6.4835 6.4835 6.6055 6.6055 6.8226 6.8226 6.9763 6.9763 7.3055 7.3055 9.4200 9.4200 9.5007 9.5007 10.0373 10.0373 12.9150 12.9150 12.9892 12.9892 14.5930 14.5930 15.2876 15.2876 15.4469 15.4469 k = 0.5000 0.5000 0.1250 ( 3340 PWs) bands (ev): 4.4443 4.4443 4.4700 4.4700 4.5480 4.5480 4.5709 4.5709 4.6573 4.6573 4.6618 4.6618 5.9894 5.9894 6.0607 6.0607 6.1650 6.1650 6.2310 6.2310 6.3947 6.3947 6.5024 6.5024 6.6125 6.6125 6.8373 6.8373 6.9986 6.9986 7.3686 7.3686 9.4299 9.4299 9.5182 9.5182 10.0740 10.0740 12.8844 12.8844 12.9688 12.9688 14.6056 14.6056 15.1601 15.1601 15.4497 15.4497 k = 0.5000 0.5000 0.1389 ( 3348 PWs) bands (ev): 4.4320 4.4320 4.4586 4.4586 4.5306 4.5306 4.5568 4.5568 4.6517 4.6517 4.6592 4.6592 5.9875 5.9875 6.0553 6.0553 6.1543 6.1543 6.2195 6.2195 6.4144 6.4144 6.5194 6.5194 6.6208 6.6208 6.8552 6.8552 7.0222 7.0222 7.4369 7.4369 9.4412 9.4412 9.5379 9.5379 10.1146 10.1146 12.8498 12.8498 12.9455 12.9455 14.6168 14.6168 15.0241 15.0241 15.4525 15.4525 k = 0.5000 0.5000 0.1528 ( 3344 PWs) bands (ev): 4.4185 4.4185 4.4462 4.4462 4.5125 4.5125 4.5421 4.5421 4.6463 4.6463 4.6564 4.6564 5.9859 5.9859 6.0502 6.0502 6.1447 6.1447 6.2080 6.2080 6.4335 6.4335 6.5341 6.5341 6.6306 6.6306 6.8765 6.8765 7.0468 7.0468 7.5099 7.5099 9.4541 9.4541 9.5597 9.5597 10.1590 10.1590 12.8112 12.8112 12.9192 12.9192 14.6202 14.6202 14.8871 14.8871 15.4549 15.4549 k = 0.5000 0.5000 0.1667 ( 3344 PWs) bands (ev): 4.4038 4.4038 4.4332 4.4332 4.4937 4.4937 4.5270 4.5270 4.6412 4.6412 4.6534 4.6534 5.9847 5.9847 6.0455 6.0455 6.1363 6.1363 6.1966 6.1966 6.4515 6.4515 6.5464 6.5464 6.6420 6.6420 6.9011 6.9011 7.0721 7.0721 7.5874 7.5874 9.4685 9.4685 9.5837 9.5837 10.2070 10.2070 12.7687 12.7687 12.8898 12.8898 14.5897 14.5897 14.7774 14.7774 15.4570 15.4570 k = 0.5000 0.5000 0.1806 ( 3344 PWs) bands (ev): 4.3880 4.3880 4.4195 4.4195 4.4745 4.4745 4.5116 4.5116 4.6364 4.6364 4.6502 4.6502 5.9838 5.9838 6.0411 6.0411 6.1289 6.1289 6.1855 6.1855 6.4681 6.4681 6.5566 6.5566 6.6553 6.6553 6.9286 6.9286 7.0979 7.0979 7.6691 7.6691 9.4847 9.4847 9.6100 9.6100 10.2584 10.2584 12.7222 12.7222 12.8572 12.8572 14.4808 14.4808 14.7406 14.7406 15.4584 15.4584 k = 0.5000 0.5000 0.1944 ( 3352 PWs) bands (ev): 4.3714 4.3714 4.4053 4.4053 4.4551 4.4551 4.4959 4.4959 4.6320 4.6320 4.6468 4.6468 5.9833 5.9833 6.0370 6.0370 6.1225 6.1225 6.1747 6.1747 6.4830 6.4830 6.5646 6.5646 6.6703 6.6703 6.9587 6.9587 7.1239 7.1239 7.7548 7.7548 9.5027 9.5027 9.6385 9.6385 10.3131 10.3131 12.6718 12.6718 12.8214 12.8214 14.3263 14.3263 14.7454 14.7454 15.4590 15.4590 k = 0.5000 0.5000 0.2083 ( 3344 PWs) bands (ev): 4.3542 4.3542 4.3907 4.3907 4.4356 4.4356 4.4802 4.4802 4.6279 4.6279 4.6434 4.6434 5.9830 5.9830 6.0331 6.0331 6.1170 6.1170 6.1644 6.1644 6.4963 6.4963 6.5710 6.5710 6.6871 6.6871 6.9907 6.9907 7.1501 7.1501 7.8444 7.8444 9.5225 9.5225 9.6693 9.6693 10.3708 10.3708 12.6175 12.6175 12.7823 12.7823 14.1573 14.1573 14.7616 14.7616 15.4586 15.4586 k = 0.5000 0.5000 0.2222 ( 3344 PWs) bands (ev): 4.3364 4.3364 4.3759 4.3759 4.4161 4.4161 4.4645 4.4645 4.6242 4.6242 4.6400 4.6400 5.9830 5.9830 6.0294 6.0294 6.1125 6.1125 6.1545 6.1545 6.5080 6.5080 6.5759 6.5759 6.7053 6.7053 7.0243 7.0243 7.1761 7.1761 7.9375 7.9375 9.5444 9.5444 9.7023 9.7023 10.4313 10.4313 12.5597 12.5597 12.7400 12.7400 13.9821 13.9821 14.7821 14.7821 15.4568 15.4568 k = 0.5000 0.5000 0.2361 ( 3344 PWs) bands (ev): 4.3184 4.3184 4.3611 4.3611 4.3969 4.3969 4.4489 4.4489 4.6208 4.6208 4.6365 4.6365 5.9831 5.9831 6.0259 6.0259 6.1088 6.1088 6.1451 6.1451 6.5181 6.5181 6.5796 6.5796 6.7247 6.7247 7.0588 7.0588 7.2019 7.2019 8.0342 8.0342 9.5683 9.5683 9.7375 9.7375 10.4941 10.4941 12.4983 12.4983 12.6946 12.6946 13.8036 13.8036 14.8045 14.8045 15.4536 15.4536 k = 0.5000 0.5000 0.2500 ( 3348 PWs) bands (ev): 4.3003 4.3003 4.3462 4.3462 4.3780 4.3780 4.4335 4.4335 4.6176 4.6176 4.6329 4.6329 5.9835 5.9835 6.0226 6.0226 6.1058 6.1058 6.1363 6.1363 6.5269 6.5269 6.5823 6.5823 6.7449 6.7449 7.0939 7.0939 7.2272 7.2272 8.1341 8.1341 9.5944 9.5944 9.7750 9.7750 10.5590 10.5590 12.4337 12.4337 12.6461 12.6461 13.6230 13.6230 14.8280 14.8280 15.4485 15.4485 k = 0.5000 0.5000 0.2639 ( 3336 PWs) bands (ev): 4.2824 4.2824 4.3315 4.3315 4.3595 4.3595 4.4185 4.4185 4.6147 4.6147 4.6294 4.6294 5.9839 5.9839 6.0194 6.0194 6.1035 6.1035 6.1280 6.1280 6.5347 6.5347 6.5843 6.5843 6.7655 6.7655 7.1290 7.1290 7.2520 7.2520 8.2373 8.2373 9.6227 9.6227 9.8146 9.8146 10.6257 10.6257 12.3661 12.3661 12.5948 12.5948 13.4416 13.4416 14.8522 14.8522 15.4415 15.4415 k = 0.5000 0.5000 0.2778 ( 3344 PWs) bands (ev): 4.2647 4.2647 4.3171 4.3171 4.3416 4.3416 4.4038 4.4038 4.6120 4.6120 4.6259 4.6259 5.9844 5.9844 6.0164 6.0164 6.1018 6.1018 6.1202 6.1202 6.5415 6.5415 6.5857 6.5857 6.7862 6.7862 7.1639 7.1639 7.2760 7.2760 8.3436 8.3436 9.6533 9.6533 9.8562 9.8562 10.6936 10.6936 12.2959 12.2959 12.5409 12.5409 13.2598 13.2598 14.8766 14.8766 15.4322 15.4322 k = 0.5000 0.5000 0.2917 ( 3344 PWs) bands (ev): 4.2475 4.2475 4.3030 4.3030 4.3243 4.3243 4.3897 4.3897 4.6096 4.6096 4.6225 4.6225 5.9850 5.9850 6.0135 6.0135 6.1007 6.1007 6.1130 6.1130 6.5476 6.5476 6.5866 6.5866 6.8066 6.8066 7.1981 7.1981 7.2991 7.2991 8.4528 8.4528 9.6863 9.6863 9.8999 9.8999 10.7622 10.7622 12.2234 12.2234 12.4848 12.4848 13.0782 13.0782 14.9009 14.9009 15.4204 15.4204 k = 0.5000 0.5000 0.3056 ( 3348 PWs) bands (ev): 4.2308 4.2308 4.2895 4.2895 4.3078 4.3078 4.3762 4.3762 4.6073 4.6073 4.6191 4.6191 5.9856 5.9856 6.0107 6.0107 6.1001 6.1001 6.1064 6.1064 6.5531 6.5531 6.5872 6.5872 6.8266 6.8266 7.2313 7.2313 7.3213 7.3213 8.5649 8.5649 9.7215 9.7215 9.9453 9.9453 10.8310 10.8310 12.1491 12.1491 12.4268 12.4268 12.8974 12.8974 14.9250 14.9250 15.4061 15.4061 k = 0.5000 0.5000 0.3194 ( 3348 PWs) bands (ev): 4.2148 4.2148 4.2764 4.2764 4.2921 4.2921 4.3632 4.3632 4.6052 4.6052 4.6159 4.6159 5.9861 5.9861 6.0080 6.0080 6.0999 6.0999 6.1003 6.1003 6.5580 6.5580 6.5876 6.5876 6.8459 6.8459 7.2633 7.2633 7.3424 7.3424 8.6797 8.6797 9.7590 9.7590 9.9925 9.9925 10.8994 10.8994 12.0734 12.0734 12.3676 12.3676 12.7176 12.7176 14.9485 14.9485 15.3890 15.3890 k = 0.5000 0.5000 0.3333 ( 3332 PWs) bands (ev): 4.1996 4.1996 4.2641 4.2641 4.2773 4.2773 4.3510 4.3510 4.6033 4.6033 4.6128 4.6128 5.9867 5.9867 6.0055 6.0055 6.0948 6.0948 6.1000 6.1000 6.5625 6.5625 6.5878 6.5878 6.8644 6.8644 7.2938 7.2938 7.3623 7.3623 8.7970 8.7970 9.7988 9.7988 10.0411 10.0411 10.9665 10.9665 11.9968 11.9968 12.3076 12.3076 12.5392 12.5392 14.9713 14.9713 15.3694 15.3694 k = 0.5000 0.5000 0.3472 ( 3332 PWs) bands (ev): 4.1853 4.1853 4.2524 4.2524 4.2634 4.2634 4.3396 4.3396 4.6016 4.6016 4.6098 4.6098 5.9871 5.9871 6.0032 6.0032 6.0897 6.0897 6.1004 6.1004 6.5665 6.5665 6.5879 6.5879 6.8818 6.8818 7.3226 7.3226 7.3809 7.3809 8.9166 8.9166 9.8407 9.8407 10.0908 10.0908 11.0315 11.0315 11.9198 11.9198 12.2477 12.2477 12.3626 12.3626 14.9931 14.9931 15.3472 15.3472 k = 0.5000 0.5000 0.3611 ( 3332 PWs) bands (ev): 4.1720 4.1720 4.2416 4.2416 4.2506 4.2506 4.3290 4.3290 4.6000 4.6000 4.6070 4.6070 5.9876 5.9876 6.0009 6.0009 6.0853 6.0853 6.1010 6.1010 6.5701 6.5701 6.5879 6.5879 6.8981 6.8981 7.3494 7.3494 7.3982 7.3982 9.0383 9.0383 9.8846 9.8846 10.1413 10.1413 11.0934 11.0934 11.8430 11.8430 12.1880 12.1880 12.1887 12.1887 15.0137 15.0137 15.3228 15.3228 k = 0.5000 0.5000 0.3750 ( 3340 PWs) bands (ev): 4.1597 4.1597 4.2316 4.2316 4.2388 4.2388 4.3192 4.3192 4.5986 4.5986 4.6044 4.6044 5.9879 5.9879 5.9989 5.9989 6.0813 6.0813 6.1018 6.1018 6.5734 6.5734 6.5878 6.5878 6.9131 6.9131 7.3741 7.3741 7.4141 7.4141 9.1616 9.1616 9.9304 9.9304 10.1921 10.1921 11.1511 11.1511 11.7667 11.7667 12.0162 12.0162 12.1316 12.1316 15.0330 15.0330 15.2967 15.2967 k = 0.5000 0.5000 0.3889 ( 3340 PWs) bands (ev): 4.1486 4.1486 4.2225 4.2225 4.2282 4.2282 4.3104 4.3104 4.5973 4.5973 4.6020 4.6020 5.9883 5.9883 5.9970 5.9970 6.0777 6.0777 6.1026 6.1026 6.5763 6.5763 6.5877 6.5877 6.9268 6.9268 7.3965 7.3965 7.4284 7.4284 9.2861 9.2861 9.9778 9.9778 10.2426 10.2426 11.2033 11.2033 11.6906 11.6906 11.8487 11.8487 12.0778 12.0778 15.0508 15.0508 15.2694 15.2694 k = 0.5000 0.5000 0.4028 ( 3356 PWs) bands (ev): 4.1386 4.1386 4.2143 4.2143 4.2186 4.2186 4.3025 4.3025 4.5961 4.5961 4.5998 4.5998 5.9885 5.9885 5.9952 5.9952 6.0747 6.0747 6.1035 6.1035 6.5788 6.5788 6.5876 6.5876 6.9390 6.9390 7.4166 7.4166 7.4412 7.4412 9.4109 9.4109 10.0270 10.0270 10.2920 10.2920 11.2488 11.2488 11.6083 11.6083 11.6929 11.6929 12.0286 12.0286 15.0669 15.0669 15.2418 15.2418 k = 0.5000 0.5000 0.4167 ( 3368 PWs) bands (ev): 4.1299 4.1299 4.2072 4.2072 4.2103 4.2103 4.2956 4.2956 4.5951 4.5951 4.5979 4.5979 5.9887 5.9887 5.9937 5.9937 6.0721 6.0721 6.1044 6.1044 6.5810 6.5810 6.5875 6.5875 6.9497 6.9497 7.4342 7.4342 7.4524 7.4524 9.5345 9.5345 10.0781 10.0781 10.3394 10.3394 11.2861 11.2861 11.4874 11.4874 11.5830 11.5830 11.9855 11.9855 15.0812 15.0812 15.2149 15.2149 k = 0.5000 0.5000 0.4306 ( 3360 PWs) bands (ev): 4.1225 4.1225 4.2011 4.2011 4.2033 4.2033 4.2897 4.2897 4.5943 4.5943 4.5962 4.5962 5.9889 5.9889 5.9924 5.9924 6.0700 6.0700 6.1052 6.1052 6.5829 6.5829 6.5874 6.5874 6.9589 6.9589 7.4492 7.4492 7.4619 7.4619 9.6543 9.6543 10.1323 10.1323 10.3837 10.3837 11.3145 11.3145 11.3346 11.3346 11.5138 11.5138 11.9498 11.9498 15.0935 15.0935 15.1896 15.1896 k = 0.5000 0.5000 0.4444 ( 3360 PWs) bands (ev): 4.1164 4.1164 4.1961 4.1961 4.1974 4.1974 4.2848 4.2848 4.5936 4.5936 4.5949 4.5949 5.9890 5.9890 5.9913 5.9913 6.0682 6.0682 6.1059 6.1059 6.5844 6.5844 6.5873 6.5873 6.9664 6.9664 7.4616 7.4616 7.4697 7.4697 9.7661 9.7661 10.1918 10.1918 10.4235 10.4235 11.1789 11.1789 11.3339 11.3339 11.4584 11.4584 11.9222 11.9222 15.1037 15.1037 15.1671 15.1671 k = 0.5000 0.5000 0.4583 ( 3344 PWs) bands (ev): 4.1116 4.1116 4.1921 4.1921 4.1929 4.1929 4.2810 4.2810 4.5931 4.5931 4.5938 4.5938 5.9891 5.9891 5.9904 5.9904 6.0669 6.0669 6.1065 6.1065 6.5856 6.5856 6.5872 6.5872 6.9723 6.9723 7.4713 7.4713 7.4759 7.4759 9.8631 9.8631 10.2611 10.2611 10.4571 10.4571 11.0266 11.0266 11.3451 11.3451 11.4136 11.4136 11.9028 11.9028 15.1118 15.1118 15.1483 15.1483 k = 0.5000 0.5000 0.4722 ( 3328 PWs) bands (ev): 4.1082 4.1082 4.1893 4.1893 4.1897 4.1897 4.2783 4.2783 4.5927 4.5927 4.5930 4.5930 5.9892 5.9892 5.9898 5.9898 6.0660 6.0660 6.1069 6.1069 6.5865 6.5865 6.5872 6.5872 6.9766 6.9766 7.4782 7.4782 7.4803 7.4803 9.9368 9.9368 10.3446 10.3446 10.4828 10.4828 10.8805 10.8805 11.3503 11.3503 11.3802 11.3802 11.8905 11.8905 15.1177 15.1177 15.1341 15.1341 k = 0.5000 0.5000 0.4861 ( 3328 PWs) bands (ev): 4.1061 4.1061 4.1876 4.1876 4.1877 4.1877 4.2767 4.2767 4.5925 4.5925 4.5926 4.5926 5.9893 5.9893 5.9894 5.9894 6.0654 6.0654 6.1072 6.1072 6.5870 6.5870 6.5872 6.5872 6.9791 6.9791 7.4824 7.4824 7.4829 7.4829 9.9816 9.9816 10.4400 10.4400 10.4990 10.4990 10.7477 10.7477 11.3521 11.3521 11.3594 11.3594 11.8840 11.8840 15.1212 15.1212 15.1253 15.1253 k = 0.5000 0.5000 0.5000 ( 3328 PWs) bands (ev): 4.1054 4.1054 4.1871 4.1871 4.1871 4.1871 4.2761 4.2761 4.5924 4.5924 4.5924 4.5924 5.9893 5.9893 5.9893 5.9893 6.0652 6.0652 6.1073 6.1073 6.5871 6.5871 6.5871 6.5871 6.9800 6.9800 7.4838 7.4838 7.4838 7.4838 9.9964 9.9964 10.5045 10.5045 10.5045 10.5045 10.6710 10.6710 11.3524 11.3524 11.3524 11.3524 11.8820 11.8820 15.1223 15.1223 15.1223 15.1223 Writing output data file ZrHg3.save init_run : 0.16s CPU 0.28s WALL ( 1 calls) electrons : 164.37s CPU 167.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 164.36s CPU 167.15s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 279 calls) cegterg : 151.86s CPU 154.29s WALL ( 472 calls) Called by sum_band: Called by *egterg: h_psi : 92.54s CPU 94.34s WALL ( 7326 calls) s_psi : 4.67s CPU 4.67s WALL ( 7326 calls) g_psi : 0.28s CPU 0.26s WALL ( 6575 calls) cdiaghg : 47.36s CPU 48.04s WALL ( 6854 calls) cegterg:over : 6.00s CPU 6.03s WALL ( 6575 calls) cegterg:upda : 4.22s CPU 4.37s WALL ( 6575 calls) cegterg:last : 2.99s CPU 3.02s WALL ( 1635 calls) cdiaghg:chol : 2.62s CPU 2.66s WALL ( 6854 calls) cdiaghg:inve : 1.77s CPU 1.83s WALL ( 6854 calls) cdiaghg:para : 2.75s CPU 2.80s WALL ( 13708 calls) Called by h_psi: h_psi:vloc : 81.27s CPU 82.85s WALL ( 7326 calls) h_psi:vnl : 11.03s CPU 11.25s WALL ( 7326 calls) add_vuspsi : 5.84s CPU 5.79s WALL ( 7326 calls) General routines calbec : 5.16s CPU 5.45s WALL ( 7326 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 75.81s CPU 77.37s WALL ( 991380 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.14s WALL ( 558 calls) Parallel routines fft_scatter : 28.28s CPU 29.03s WALL ( 991403 calls) PWSCF : 2m55.62s CPU 3m 6.33s WALL This run was terminated on: 19:34:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=