Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:56:46 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: ./ZrSiCuP.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 23 20 6 1379 1072 176 Max 24 21 7 1394 1087 182 Sum 861 725 221 49971 38829 6409 bravais-lattice index = 14 lattice parameter (alat) = 6.7408 a.u. unit-cell volume = 811.1012 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.740842 celldm(2)= 1.000000 celldm(3)= 2.648089 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 2.648089 ) 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 0.377631 ) PseudoPot. # 1 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 PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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. # 4 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Cu 11.00 63.54600 Cu( 1.00) Si 4.00 28.08550 Si( 1.00) P 5.00 30.97380 P( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0027322 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0027322 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0027322 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0027322 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027322 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0027322 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0027322 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0027322 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0027322 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0027322 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0027322 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0027322 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0027322 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0027322 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0027322 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0027322 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0027322 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0027322 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0027322 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0027322 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0027322 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0027322 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0027322 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0027322 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0027322 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0027322 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0027322 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0027322 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0027322 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0027322 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0027322 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0027322 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0027322 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0027322 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0027322 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0027322 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0027322 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0027322 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0027322 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0027322 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0027322 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0027322 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0027322 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0027322 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0027322 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0027322 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027322 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0027322 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0027322 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0027322 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0027322 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0027322 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0027322 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0027322 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0027322 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0027322 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0027322 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0027322 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0027322 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0027322 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0027322 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027322 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0027322 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0027322 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0027322 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0027322 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0027322 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027322 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0027322 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0027322 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0027322 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0027322 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0027322 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0027322 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0027322 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0027322 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0027322 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0027322 k( 96) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0027322 k( 97) = ( 0.4682540 0.4682540 -0.0000000), wk = 0.0027322 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0027322 k( 99) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0027322 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0027322 k( 101) = ( 0.4365079 0.4365079 -0.0000000), wk = 0.0027322 k( 102) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0027322 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0027322 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0027322 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0027322 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0027322 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0027322 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0027322 k( 109) = ( 0.3730159 0.3730159 -0.0000000), wk = 0.0027322 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0027322 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0027322 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0027322 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0027322 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027322 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0027322 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0027322 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0027322 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0027322 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0027322 k( 120) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0027322 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0027322 k( 122) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0027322 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0027322 k( 124) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0027322 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0027322 k( 126) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0027322 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0027322 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0027322 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0027322 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0027322 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0027322 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0027322 k( 133) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0027322 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0027322 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027322 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0027322 k( 137) = ( 0.1507937 0.1507936 -0.0000000), wk = 0.0027322 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0027322 k( 139) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0027322 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0027322 k( 141) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0027322 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0027322 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0027322 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0027322 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0027322 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0027322 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0027322 k( 148) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0027322 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0027322 k( 150) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0027322 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0027322 k( 152) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0027322 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0027322 k( 154) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0027322 k( 155) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.0111068), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.0222136), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.0333204), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.0444271), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.0555339), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.0666407), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.0777475), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.0888543), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.0999611), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.1110679), wk = 0.0027322 k( 168) = ( 0.0000000 0.0000000 0.1221747), wk = 0.0027322 k( 169) = ( 0.0000000 0.0000000 0.1332814), wk = 0.0027322 k( 170) = ( 0.0000000 0.0000000 0.1443882), wk = 0.0027322 k( 171) = ( 0.0000000 0.0000000 0.1554950), wk = 0.0027322 k( 172) = ( 0.0000000 0.0000000 0.1666018), wk = 0.0027322 k( 173) = ( 0.0000000 0.0000000 0.1777086), wk = 0.0027322 k( 174) = ( 0.0000000 0.0000000 0.1888154), wk = 0.0027322 k( 175) = ( 0.0000000 0.0000000 0.1888154), wk = 0.0027322 k( 176) = ( 0.0000000 0.0111111 0.1888154), wk = 0.0027322 k( 177) = ( 0.0000000 0.0222222 0.1888154), wk = 0.0027322 k( 178) = ( 0.0000000 0.0333333 0.1888154), wk = 0.0027322 k( 179) = ( 0.0000000 0.0444444 0.1888154), wk = 0.0027322 k( 180) = ( 0.0000000 0.0555556 0.1888154), wk = 0.0027322 k( 181) = ( 0.0000000 0.0666667 0.1888154), wk = 0.0027322 k( 182) = ( 0.0000000 0.0777778 0.1888154), wk = 0.0027322 k( 183) = ( 0.0000000 0.0888889 0.1888154), wk = 0.0027322 k( 184) = ( 0.0000000 0.1000000 0.1888154), wk = 0.0027322 k( 185) = ( 0.0000000 0.1111111 0.1888154), wk = 0.0027322 k( 186) = ( 0.0000000 0.1222222 0.1888154), wk = 0.0027322 k( 187) = ( 0.0000000 0.1333333 0.1888154), wk = 0.0027322 k( 188) = ( 0.0000000 0.1444444 0.1888154), wk = 0.0027322 k( 189) = ( 0.0000000 0.1555556 0.1888154), wk = 0.0027322 k( 190) = ( 0.0000000 0.1666667 0.1888154), wk = 0.0027322 k( 191) = ( 0.0000000 0.1777778 0.1888154), wk = 0.0027322 k( 192) = ( 0.0000000 0.1888889 0.1888154), wk = 0.0027322 k( 193) = ( 0.0000000 0.2000000 0.1888154), wk = 0.0027322 k( 194) = ( 0.0000000 0.2111111 0.1888154), wk = 0.0027322 k( 195) = ( 0.0000000 0.2222222 0.1888154), wk = 0.0027322 k( 196) = ( 0.0000000 0.2333333 0.1888154), wk = 0.0027322 k( 197) = ( 0.0000000 0.2444444 0.1888154), wk = 0.0027322 k( 198) = ( 0.0000000 0.2555556 0.1888154), wk = 0.0027322 k( 199) = ( 0.0000000 0.2666667 0.1888154), wk = 0.0027322 k( 200) = ( 0.0000000 0.2777778 0.1888154), wk = 0.0027322 k( 201) = ( 0.0000000 0.2888889 0.1888154), wk = 0.0027322 k( 202) = ( 0.0000000 0.3000000 0.1888154), wk = 0.0027322 k( 203) = ( 0.0000000 0.3111111 0.1888154), wk = 0.0027322 k( 204) = ( 0.0000000 0.3222222 0.1888154), wk = 0.0027322 k( 205) = ( 0.0000000 0.3333333 0.1888154), wk = 0.0027322 k( 206) = ( 0.0000000 0.3444444 0.1888154), wk = 0.0027322 k( 207) = ( 0.0000000 0.3555556 0.1888154), wk = 0.0027322 k( 208) = ( 0.0000000 0.3666667 0.1888154), wk = 0.0027322 k( 209) = ( 0.0000000 0.3777778 0.1888154), wk = 0.0027322 k( 210) = ( 0.0000000 0.3888889 0.1888154), wk = 0.0027322 k( 211) = ( 0.0000000 0.4000000 0.1888154), wk = 0.0027322 k( 212) = ( 0.0000000 0.4111111 0.1888154), wk = 0.0027322 k( 213) = ( 0.0000000 0.4222222 0.1888154), wk = 0.0027322 k( 214) = ( 0.0000000 0.4333333 0.1888154), wk = 0.0027322 k( 215) = ( 0.0000000 0.4444444 0.1888154), wk = 0.0027322 k( 216) = ( 0.0000000 0.4555556 0.1888154), wk = 0.0027322 k( 217) = ( 0.0000000 0.4666667 0.1888154), wk = 0.0027322 k( 218) = ( 0.0000000 0.4777778 0.1888154), wk = 0.0027322 k( 219) = ( 0.0000000 0.4888889 0.1888154), wk = 0.0027322 k( 220) = ( 0.0000000 0.5000000 0.1888154), wk = 0.0027322 k( 221) = ( 0.0000000 0.5000000 0.1888154), wk = 0.0027322 k( 222) = ( 0.0111111 0.5000000 0.1888154), wk = 0.0027322 k( 223) = ( 0.0222222 0.5000000 0.1888154), wk = 0.0027322 k( 224) = ( 0.0333333 0.5000000 0.1888154), wk = 0.0027322 k( 225) = ( 0.0444444 0.5000000 0.1888154), wk = 0.0027322 k( 226) = ( 0.0555556 0.5000000 0.1888154), wk = 0.0027322 k( 227) = ( 0.0666667 0.5000000 0.1888154), wk = 0.0027322 k( 228) = ( 0.0777778 0.5000000 0.1888154), wk = 0.0027322 k( 229) = ( 0.0888889 0.5000000 0.1888154), wk = 0.0027322 k( 230) = ( 0.1000000 0.5000000 0.1888154), wk = 0.0027322 k( 231) = ( 0.1111111 0.5000000 0.1888154), wk = 0.0027322 k( 232) = ( 0.1222222 0.5000000 0.1888154), wk = 0.0027322 k( 233) = ( 0.1333333 0.5000000 0.1888154), wk = 0.0027322 k( 234) = ( 0.1444444 0.5000000 0.1888154), wk = 0.0027322 k( 235) = ( 0.1555556 0.5000000 0.1888154), wk = 0.0027322 k( 236) = ( 0.1666667 0.5000000 0.1888154), wk = 0.0027322 k( 237) = ( 0.1777778 0.5000000 0.1888154), wk = 0.0027322 k( 238) = ( 0.1888889 0.5000000 0.1888154), wk = 0.0027322 k( 239) = ( 0.2000000 0.5000000 0.1888154), wk = 0.0027322 k( 240) = ( 0.2111111 0.5000000 0.1888154), wk = 0.0027322 k( 241) = ( 0.2222222 0.5000000 0.1888154), wk = 0.0027322 k( 242) = ( 0.2333333 0.5000000 0.1888154), wk = 0.0027322 k( 243) = ( 0.2444444 0.5000000 0.1888154), wk = 0.0027322 k( 244) = ( 0.2555556 0.5000000 0.1888154), wk = 0.0027322 k( 245) = ( 0.2666667 0.5000000 0.1888154), wk = 0.0027322 k( 246) = ( 0.2777778 0.5000000 0.1888154), wk = 0.0027322 k( 247) = ( 0.2888889 0.5000000 0.1888154), wk = 0.0027322 k( 248) = ( 0.3000000 0.5000000 0.1888154), wk = 0.0027322 k( 249) = ( 0.3111111 0.5000000 0.1888154), wk = 0.0027322 k( 250) = ( 0.3222222 0.5000000 0.1888154), wk = 0.0027322 k( 251) = ( 0.3333333 0.5000000 0.1888154), wk = 0.0027322 k( 252) = ( 0.3444444 0.5000000 0.1888154), wk = 0.0027322 k( 253) = ( 0.3555556 0.5000000 0.1888154), wk = 0.0027322 k( 254) = ( 0.3666667 0.5000000 0.1888154), wk = 0.0027322 k( 255) = ( 0.3777778 0.5000000 0.1888154), wk = 0.0027322 k( 256) = ( 0.3888889 0.5000000 0.1888154), wk = 0.0027322 k( 257) = ( 0.4000000 0.5000000 0.1888154), wk = 0.0027322 k( 258) = ( 0.4111111 0.5000000 0.1888154), wk = 0.0027322 k( 259) = ( 0.4222222 0.5000000 0.1888154), wk = 0.0027322 k( 260) = ( 0.4333333 0.5000000 0.1888154), wk = 0.0027322 k( 261) = ( 0.4444444 0.5000000 0.1888154), wk = 0.0027322 k( 262) = ( 0.4555556 0.5000000 0.1888154), wk = 0.0027322 k( 263) = ( 0.4666667 0.5000000 0.1888154), wk = 0.0027322 k( 264) = ( 0.4777778 0.5000000 0.1888154), wk = 0.0027322 k( 265) = ( 0.4888889 0.5000000 0.1888154), wk = 0.0027322 k( 266) = ( 0.5000000 0.5000000 0.1888154), wk = 0.0027322 k( 267) = ( 0.5000000 0.5000000 0.1888154), wk = 0.0027322 k( 268) = ( 0.4920635 0.4920635 0.1888154), wk = 0.0027322 k( 269) = ( 0.4841270 0.4841270 0.1888154), wk = 0.0027322 k( 270) = ( 0.4761905 0.4761905 0.1888154), wk = 0.0027322 k( 271) = ( 0.4682540 0.4682540 0.1888154), wk = 0.0027322 k( 272) = ( 0.4603175 0.4603175 0.1888154), wk = 0.0027322 k( 273) = ( 0.4523810 0.4523809 0.1888154), wk = 0.0027322 k( 274) = ( 0.4444444 0.4444444 0.1888154), wk = 0.0027322 k( 275) = ( 0.4365079 0.4365079 0.1888154), wk = 0.0027322 k( 276) = ( 0.4285714 0.4285714 0.1888154), wk = 0.0027322 k( 277) = ( 0.4206349 0.4206349 0.1888154), wk = 0.0027322 k( 278) = ( 0.4126984 0.4126984 0.1888154), wk = 0.0027322 k( 279) = ( 0.4047619 0.4047619 0.1888154), wk = 0.0027322 k( 280) = ( 0.3968254 0.3968254 0.1888154), wk = 0.0027322 k( 281) = ( 0.3888889 0.3888889 0.1888154), wk = 0.0027322 k( 282) = ( 0.3809524 0.3809524 0.1888154), wk = 0.0027322 k( 283) = ( 0.3730159 0.3730159 0.1888154), wk = 0.0027322 k( 284) = ( 0.3650794 0.3650794 0.1888154), wk = 0.0027322 k( 285) = ( 0.3571429 0.3571429 0.1888154), wk = 0.0027322 k( 286) = ( 0.3492063 0.3492063 0.1888154), wk = 0.0027322 k( 287) = ( 0.3412698 0.3412698 0.1888154), wk = 0.0027322 k( 288) = ( 0.3333333 0.3333333 0.1888154), wk = 0.0027322 k( 289) = ( 0.3253968 0.3253968 0.1888154), wk = 0.0027322 k( 290) = ( 0.3174603 0.3174603 0.1888154), wk = 0.0027322 k( 291) = ( 0.3095238 0.3095238 0.1888154), wk = 0.0027322 k( 292) = ( 0.3015873 0.3015873 0.1888154), wk = 0.0027322 k( 293) = ( 0.2936508 0.2936508 0.1888154), wk = 0.0027322 k( 294) = ( 0.2857143 0.2857143 0.1888154), wk = 0.0027322 k( 295) = ( 0.2777778 0.2777778 0.1888154), wk = 0.0027322 k( 296) = ( 0.2698413 0.2698413 0.1888154), wk = 0.0027322 k( 297) = ( 0.2619048 0.2619048 0.1888154), wk = 0.0027322 k( 298) = ( 0.2539683 0.2539683 0.1888154), wk = 0.0027322 k( 299) = ( 0.2460317 0.2460317 0.1888154), wk = 0.0027322 k( 300) = ( 0.2380952 0.2380952 0.1888154), wk = 0.0027322 k( 301) = ( 0.2301587 0.2301587 0.1888154), wk = 0.0027322 k( 302) = ( 0.2222222 0.2222222 0.1888154), wk = 0.0027322 k( 303) = ( 0.2142857 0.2142857 0.1888154), wk = 0.0027322 k( 304) = ( 0.2063492 0.2063492 0.1888154), wk = 0.0027322 k( 305) = ( 0.1984127 0.1984127 0.1888154), wk = 0.0027322 k( 306) = ( 0.1904762 0.1904762 0.1888154), wk = 0.0027322 k( 307) = ( 0.1825397 0.1825397 0.1888154), wk = 0.0027322 k( 308) = ( 0.1746032 0.1746032 0.1888154), wk = 0.0027322 k( 309) = ( 0.1666667 0.1666667 0.1888154), wk = 0.0027322 k( 310) = ( 0.1587302 0.1587302 0.1888154), wk = 0.0027322 k( 311) = ( 0.1507937 0.1507936 0.1888154), wk = 0.0027322 k( 312) = ( 0.1428571 0.1428571 0.1888154), wk = 0.0027322 k( 313) = ( 0.1349206 0.1349206 0.1888154), wk = 0.0027322 k( 314) = ( 0.1269841 0.1269841 0.1888154), wk = 0.0027322 k( 315) = ( 0.1190476 0.1190476 0.1888154), wk = 0.0027322 k( 316) = ( 0.1111111 0.1111111 0.1888154), wk = 0.0027322 k( 317) = ( 0.1031746 0.1031746 0.1888154), wk = 0.0027322 k( 318) = ( 0.0952381 0.0952381 0.1888154), wk = 0.0027322 k( 319) = ( 0.0873016 0.0873016 0.1888154), wk = 0.0027322 k( 320) = ( 0.0793651 0.0793651 0.1888154), wk = 0.0027322 k( 321) = ( 0.0714286 0.0714286 0.1888154), wk = 0.0027322 k( 322) = ( 0.0634921 0.0634921 0.1888154), wk = 0.0027322 k( 323) = ( 0.0555556 0.0555556 0.1888154), wk = 0.0027322 k( 324) = ( 0.0476191 0.0476190 0.1888154), wk = 0.0027322 k( 325) = ( 0.0396825 0.0396825 0.1888154), wk = 0.0027322 k( 326) = ( 0.0317460 0.0317460 0.1888154), wk = 0.0027322 k( 327) = ( 0.0238095 0.0238095 0.1888154), wk = 0.0027322 k( 328) = ( 0.0158730 0.0158730 0.1888154), wk = 0.0027322 k( 329) = ( 0.0079365 0.0079365 0.1888154), wk = 0.0027322 k( 330) = ( 0.0000000 0.0000000 0.1888154), wk = 0.0027322 k( 331) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 332) = ( 0.0000000 0.5000000 0.0111068), wk = 0.0027322 k( 333) = ( 0.0000000 0.5000000 0.0222136), wk = 0.0027322 k( 334) = ( 0.0000000 0.5000000 0.0333204), wk = 0.0027322 k( 335) = ( 0.0000000 0.5000000 0.0444271), wk = 0.0027322 k( 336) = ( 0.0000000 0.5000000 0.0555339), wk = 0.0027322 k( 337) = ( 0.0000000 0.5000000 0.0666407), wk = 0.0027322 k( 338) = ( 0.0000000 0.5000000 0.0777475), wk = 0.0027322 k( 339) = ( 0.0000000 0.5000000 0.0888543), wk = 0.0027322 k( 340) = ( 0.0000000 0.5000000 0.0999611), wk = 0.0027322 k( 341) = ( 0.0000000 0.5000000 0.1110679), wk = 0.0027322 k( 342) = ( 0.0000000 0.5000000 0.1221747), wk = 0.0027322 k( 343) = ( 0.0000000 0.5000000 0.1332814), wk = 0.0027322 k( 344) = ( 0.0000000 0.5000000 0.1443882), wk = 0.0027322 k( 345) = ( 0.0000000 0.5000000 0.1554950), wk = 0.0027322 k( 346) = ( 0.0000000 0.5000000 0.1666018), wk = 0.0027322 k( 347) = ( 0.0000000 0.5000000 0.1777086), wk = 0.0027322 k( 348) = ( 0.0000000 0.5000000 0.1888154), wk = 0.0027322 k( 349) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 350) = ( 0.5000000 0.5000000 0.0111068), wk = 0.0027322 k( 351) = ( 0.5000000 0.5000000 0.0222136), wk = 0.0027322 k( 352) = ( 0.5000000 0.5000000 0.0333204), wk = 0.0027322 k( 353) = ( 0.5000000 0.5000000 0.0444271), wk = 0.0027322 k( 354) = ( 0.5000000 0.5000000 0.0555339), wk = 0.0027322 k( 355) = ( 0.5000000 0.5000000 0.0666407), wk = 0.0027322 k( 356) = ( 0.5000000 0.5000000 0.0777475), wk = 0.0027322 k( 357) = ( 0.5000000 0.5000000 0.0888543), wk = 0.0027322 k( 358) = ( 0.5000000 0.5000000 0.0999611), wk = 0.0027322 k( 359) = ( 0.5000000 0.5000000 0.1110679), wk = 0.0027322 k( 360) = ( 0.5000000 0.5000000 0.1221747), wk = 0.0027322 k( 361) = ( 0.5000000 0.5000000 0.1332814), wk = 0.0027322 k( 362) = ( 0.5000000 0.5000000 0.1443882), wk = 0.0027322 k( 363) = ( 0.5000000 0.5000000 0.1554950), wk = 0.0027322 k( 364) = ( 0.5000000 0.5000000 0.1666018), wk = 0.0027322 k( 365) = ( 0.5000000 0.5000000 0.1777086), wk = 0.0027322 k( 366) = ( 0.5000000 0.5000000 0.1888154), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0027322 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0027322 k( 14) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0027322 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0027322 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027322 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0027322 k( 18) = ( 0.0000000 0.1888889 0.0000000), wk = 0.0027322 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0027322 k( 20) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0027322 k( 21) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0027322 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0027322 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0027322 k( 25) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0027322 k( 26) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0027322 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0027322 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0027322 k( 29) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0027322 k( 30) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0027322 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0027322 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0027322 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0027322 k( 35) = ( 0.0000000 0.3777778 0.0000000), wk = 0.0027322 k( 36) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0027322 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0027322 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0027322 k( 39) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0027322 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0027322 k( 41) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0027322 k( 42) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0027322 k( 43) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0027322 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0027322 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0027322 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 48) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0027322 k( 49) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0027322 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0027322 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0027322 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0027322 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0027322 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0027322 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0027322 k( 56) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0027322 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0027322 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0027322 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0027322 k( 60) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0027322 k( 61) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0027322 k( 62) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0027322 k( 63) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0027322 k( 64) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0027322 k( 65) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0027322 k( 66) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0027322 k( 67) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0027322 k( 68) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0027322 k( 69) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0027322 k( 70) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0027322 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0027322 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0027322 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0027322 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0027322 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0027322 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0027322 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027322 k( 78) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0027322 k( 79) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0027322 k( 80) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0027322 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0027322 k( 82) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0027322 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027322 k( 84) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0027322 k( 85) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0027322 k( 86) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0027322 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0027322 k( 88) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0027322 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0027322 k( 90) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0027322 k( 91) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0027322 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0027322 k( 95) = ( 0.4841270 0.4841270 0.0000000), wk = 0.0027322 k( 96) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0027322 k( 97) = ( 0.4682540 0.4682540 0.0000000), wk = 0.0027322 k( 98) = ( 0.4603175 0.4603175 0.0000000), wk = 0.0027322 k( 99) = ( 0.4523810 0.4523810 -0.0000000), wk = 0.0027322 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0027322 k( 101) = ( 0.4365079 0.4365079 0.0000000), wk = 0.0027322 k( 102) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0027322 k( 103) = ( 0.4206349 0.4206349 0.0000000), wk = 0.0027322 k( 104) = ( 0.4126984 0.4126984 0.0000000), wk = 0.0027322 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0027322 k( 106) = ( 0.3968254 0.3968254 0.0000000), wk = 0.0027322 k( 107) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0027322 k( 108) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0027322 k( 109) = ( 0.3730159 0.3730159 0.0000000), wk = 0.0027322 k( 110) = ( 0.3650794 0.3650794 0.0000000), wk = 0.0027322 k( 111) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0027322 k( 112) = ( 0.3492063 0.3492063 0.0000000), wk = 0.0027322 k( 113) = ( 0.3412698 0.3412698 0.0000000), wk = 0.0027322 k( 114) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027322 k( 115) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0027322 k( 116) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0027322 k( 117) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0027322 k( 118) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0027322 k( 119) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0027322 k( 120) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0027322 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0027322 k( 122) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0027322 k( 123) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0027322 k( 124) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0027322 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0027322 k( 126) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0027322 k( 127) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0027322 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0027322 k( 129) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0027322 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0027322 k( 131) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0027322 k( 132) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0027322 k( 133) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0027322 k( 134) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0027322 k( 135) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027322 k( 136) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0027322 k( 137) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0027322 k( 138) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0027322 k( 139) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0027322 k( 140) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0027322 k( 141) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0027322 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0027322 k( 143) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0027322 k( 144) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0027322 k( 145) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0027322 k( 146) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0027322 k( 147) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0027322 k( 148) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0027322 k( 149) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0027322 k( 150) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0027322 k( 151) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0027322 k( 152) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0027322 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0027322 k( 154) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0027322 k( 155) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0027322 k( 168) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0027322 k( 169) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0027322 k( 170) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0027322 k( 171) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0027322 k( 172) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0027322 k( 173) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0027322 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 176) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0027322 k( 177) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0027322 k( 178) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0027322 k( 179) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0027322 k( 180) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0027322 k( 181) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0027322 k( 182) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0027322 k( 183) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0027322 k( 184) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0027322 k( 185) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0027322 k( 186) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0027322 k( 187) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0027322 k( 188) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0027322 k( 189) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0027322 k( 190) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0027322 k( 191) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0027322 k( 192) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0027322 k( 193) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0027322 k( 194) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0027322 k( 195) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0027322 k( 196) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0027322 k( 197) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0027322 k( 198) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0027322 k( 199) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0027322 k( 200) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0027322 k( 201) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0027322 k( 202) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0027322 k( 203) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0027322 k( 204) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0027322 k( 205) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0027322 k( 206) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0027322 k( 207) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0027322 k( 208) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0027322 k( 209) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0027322 k( 210) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0027322 k( 211) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0027322 k( 212) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0027322 k( 213) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0027322 k( 214) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0027322 k( 215) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0027322 k( 216) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0027322 k( 217) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0027322 k( 218) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0027322 k( 219) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0027322 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 221) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 222) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0027322 k( 223) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0027322 k( 224) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0027322 k( 225) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0027322 k( 226) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0027322 k( 227) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0027322 k( 228) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0027322 k( 229) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0027322 k( 230) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0027322 k( 231) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0027322 k( 232) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0027322 k( 233) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0027322 k( 234) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0027322 k( 235) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0027322 k( 236) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027322 k( 237) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0027322 k( 238) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0027322 k( 239) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0027322 k( 240) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0027322 k( 241) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0027322 k( 242) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0027322 k( 243) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0027322 k( 244) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0027322 k( 245) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0027322 k( 246) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0027322 k( 247) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0027322 k( 248) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0027322 k( 249) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0027322 k( 250) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0027322 k( 251) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027322 k( 252) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0027322 k( 253) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0027322 k( 254) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0027322 k( 255) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0027322 k( 256) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0027322 k( 257) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0027322 k( 258) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0027322 k( 259) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0027322 k( 260) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0027322 k( 261) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0027322 k( 262) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0027322 k( 263) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0027322 k( 264) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0027322 k( 265) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0027322 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 268) = ( 0.4920635 0.4920635 0.5000000), wk = 0.0027322 k( 269) = ( 0.4841270 0.4841270 0.5000000), wk = 0.0027322 k( 270) = ( 0.4761905 0.4761905 0.5000000), wk = 0.0027322 k( 271) = ( 0.4682540 0.4682540 0.5000000), wk = 0.0027322 k( 272) = ( 0.4603175 0.4603175 0.5000000), wk = 0.0027322 k( 273) = ( 0.4523810 0.4523810 0.5000000), wk = 0.0027322 k( 274) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0027322 k( 275) = ( 0.4365079 0.4365079 0.5000000), wk = 0.0027322 k( 276) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0027322 k( 277) = ( 0.4206349 0.4206349 0.5000000), wk = 0.0027322 k( 278) = ( 0.4126984 0.4126984 0.5000000), wk = 0.0027322 k( 279) = ( 0.4047619 0.4047619 0.5000000), wk = 0.0027322 k( 280) = ( 0.3968254 0.3968254 0.5000000), wk = 0.0027322 k( 281) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0027322 k( 282) = ( 0.3809524 0.3809524 0.5000000), wk = 0.0027322 k( 283) = ( 0.3730159 0.3730159 0.5000000), wk = 0.0027322 k( 284) = ( 0.3650794 0.3650794 0.5000000), wk = 0.0027322 k( 285) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0027322 k( 286) = ( 0.3492063 0.3492063 0.5000000), wk = 0.0027322 k( 287) = ( 0.3412698 0.3412698 0.5000000), wk = 0.0027322 k( 288) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027322 k( 289) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0027322 k( 290) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0027322 k( 291) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0027322 k( 292) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0027322 k( 293) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0027322 k( 294) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0027322 k( 295) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0027322 k( 296) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0027322 k( 297) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0027322 k( 298) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0027322 k( 299) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0027322 k( 300) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0027322 k( 301) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0027322 k( 302) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027322 k( 303) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0027322 k( 304) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0027322 k( 305) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0027322 k( 306) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0027322 k( 307) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0027322 k( 308) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0027322 k( 309) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027322 k( 310) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0027322 k( 311) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0027322 k( 312) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0027322 k( 313) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0027322 k( 314) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0027322 k( 315) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0027322 k( 316) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027322 k( 317) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0027322 k( 318) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0027322 k( 319) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0027322 k( 320) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0027322 k( 321) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0027322 k( 322) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0027322 k( 323) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0027322 k( 324) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0027322 k( 325) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0027322 k( 326) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0027322 k( 327) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0027322 k( 328) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0027322 k( 329) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0027322 k( 330) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 331) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 332) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0027322 k( 333) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0027322 k( 334) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0027322 k( 335) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0027322 k( 336) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0027322 k( 337) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0027322 k( 338) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0027322 k( 339) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0027322 k( 340) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0027322 k( 341) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0027322 k( 342) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0027322 k( 343) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0027322 k( 344) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0027322 k( 345) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0027322 k( 346) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0027322 k( 347) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0027322 k( 348) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 349) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 350) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0027322 k( 351) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0027322 k( 352) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0027322 k( 353) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0027322 k( 354) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0027322 k( 355) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0027322 k( 356) = ( 0.5000000 0.5000000 0.2058824), wk = 0.0027322 k( 357) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0027322 k( 358) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0027322 k( 359) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0027322 k( 360) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0027322 k( 361) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0027322 k( 362) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0027322 k( 363) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0027322 k( 364) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0027322 k( 365) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0027322 k( 366) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 Dense grid: 49971 G-vectors FFT dimensions: ( 36, 36, 90) Smooth grid: 38829 G-vectors FFT dimensions: ( 32, 32, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 280, 58) NL pseudopotentials 0.50 Mb ( 140, 236) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1392) G-vector shells 0.00 Mb ( 622) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 280, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.42 Mb ( 236, 2, 58) The potential is recalculated from file : ./ZrSiCuP.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.8 secs Computing kpt #: 11 total cpu time spent up to now is 13.5 secs Computing kpt #: 12 total cpu time spent up to now is 14.3 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 15.7 secs Computing kpt #: 15 total cpu time spent up to now is 16.4 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 17.9 secs Computing kpt #: 18 total cpu time spent up to now is 18.7 secs Computing kpt #: 19 total cpu time spent up to now is 19.6 secs Computing kpt #: 20 total cpu time spent up to now is 20.6 secs Computing kpt #: 21 total cpu time spent up to now is 21.6 secs Computing kpt #: 22 total cpu time spent up to now is 22.7 secs Computing kpt #: 23 total cpu time spent up to now is 23.9 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.7 secs Computing kpt #: 25 total cpu time spent up to now is 26.8 secs Computing kpt #: 26 total cpu time spent up to now is 27.8 secs Computing kpt #: 27 total cpu time spent up to now is 28.6 secs Computing kpt #: 28 total cpu time spent up to now is 29.4 secs Computing kpt #: 29 total cpu time spent up to now is 30.1 secs Computing kpt #: 30 total cpu time spent up to now is 30.8 secs Computing kpt #: 31 total cpu time spent up to now is 31.6 secs Computing kpt #: 32 total cpu time spent up to now is 32.6 secs Computing kpt #: 33 total cpu time spent up to now is 33.9 secs Computing kpt #: 34 total cpu time spent up to now is 34.7 secs Computing kpt #: 35 total cpu time spent up to now is 35.5 secs Computing kpt #: 36 total cpu time spent up to now is 36.9 secs Computing kpt #: 37 total cpu time spent up to now is 37.9 secs Computing kpt #: 38 total cpu time spent up to now is 38.8 secs Computing kpt #: 39 total cpu time spent up to now is 39.6 secs Computing kpt #: 40 total cpu time spent up to now is 40.4 secs Computing kpt #: 41 total cpu time spent up to now is 41.2 secs Computing kpt #: 42 total cpu time spent up to now is 42.0 secs Computing kpt #: 43 total cpu time spent up to now is 42.8 secs Computing kpt #: 44 total cpu time spent up to now is 43.6 secs Computing kpt #: 45 total cpu time spent up to now is 44.7 secs Computing kpt #: 46 total cpu time spent up to now is 45.5 secs Computing kpt #: 47 total cpu time spent up to now is 46.2 secs Computing kpt #: 48 total cpu time spent up to now is 47.0 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.7 secs Computing kpt #: 50 total cpu time spent up to now is 49.7 secs Computing kpt #: 51 total cpu time spent up to now is 50.5 secs Computing kpt #: 52 total cpu time spent up to now is 51.3 secs Computing kpt #: 53 total cpu time spent up to now is 52.1 secs Computing kpt #: 54 total cpu time spent up to now is 53.0 secs Computing kpt #: 55 total cpu time spent up to now is 53.8 secs Computing kpt #: 56 total cpu time spent up to now is 54.6 secs Computing kpt #: 57 total cpu time spent up to now is 55.4 secs Computing kpt #: 58 total cpu time spent up to now is 56.2 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.0 secs Computing kpt #: 60 total cpu time spent up to now is 58.8 secs Computing kpt #: 61 total cpu time spent up to now is 59.6 secs Computing kpt #: 62 total cpu time spent up to now is 60.4 secs Computing kpt #: 63 total cpu time spent up to now is 61.2 secs Computing kpt #: 64 total cpu time spent up to now is 62.0 secs Computing kpt #: 65 total cpu time spent up to now is 62.8 secs Computing kpt #: 66 total cpu time spent up to now is 63.6 secs Computing kpt #: 67 total cpu time spent up to now is 64.4 secs Computing kpt #: 68 total cpu time spent up to now is 65.5 secs Computing kpt #: 69 total cpu time spent up to now is 66.6 secs Computing kpt #: 70 total cpu time spent up to now is 67.7 secs Computing kpt #: 71 total cpu time spent up to now is 68.7 secs Computing kpt #: 72 total cpu time spent up to now is 69.9 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.7 secs Computing kpt #: 74 total cpu time spent up to now is 73.3 secs Computing kpt #: 75 total cpu time spent up to now is 74.5 secs Computing kpt #: 76 total cpu time spent up to now is 75.8 secs Computing kpt #: 77 total cpu time spent up to now is 76.9 secs Computing kpt #: 78 total cpu time spent up to now is 77.8 secs Computing kpt #: 79 total cpu time spent up to now is 78.8 secs Computing kpt #: 80 total cpu time spent up to now is 79.9 secs Computing kpt #: 81 total cpu time spent up to now is 81.0 secs Computing kpt #: 82 total cpu time spent up to now is 82.0 secs Computing kpt #: 83 total cpu time spent up to now is 83.1 secs Computing kpt #: 84 total cpu time spent up to now is 84.1 secs Computing kpt #: 85 total cpu time spent up to now is 85.2 secs Computing kpt #: 86 total cpu time spent up to now is 86.5 secs Computing kpt #: 87 total cpu time spent up to now is 87.6 secs Computing kpt #: 88 total cpu time spent up to now is 89.2 secs Computing kpt #: 89 total cpu time spent up to now is 90.3 secs Computing kpt #: 90 total cpu time spent up to now is 91.6 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.4 secs Computing kpt #: 92 total cpu time spent up to now is 94.3 secs Computing kpt #: 93 total cpu time spent up to now is 95.2 secs Computing kpt #: 94 total cpu time spent up to now is 96.3 secs Computing kpt #: 95 total cpu time spent up to now is 97.4 secs Computing kpt #: 96 total cpu time spent up to now is 98.7 secs Computing kpt #: 97 total cpu time spent up to now is 99.8 secs Computing kpt #: 98 total cpu time spent up to now is 100.9 secs Computing kpt #: 99 total cpu time spent up to now is 102.1 secs Computing kpt #: 100 total cpu time spent up to now is 103.2 secs Computing kpt #: 101 total cpu time spent up to now is 104.2 secs Computing kpt #: 102 total cpu time spent up to now is 105.3 secs Computing kpt #: 103 total cpu time spent up to now is 106.1 secs Computing kpt #: 104 total cpu time spent up to now is 106.8 secs Computing kpt #: 105 total cpu time spent up to now is 107.6 secs Computing kpt #: 106 total cpu time spent up to now is 108.3 secs Computing kpt #: 107 total cpu time spent up to now is 109.0 secs Computing kpt #: 108 total cpu time spent up to now is 109.7 secs Computing kpt #: 109 total cpu time spent up to now is 110.4 secs Computing kpt #: 110 total cpu time spent up to now is 111.1 secs Computing kpt #: 111 total cpu time spent up to now is 111.9 secs Computing kpt #: 112 total cpu time spent up to now is 112.6 secs Computing kpt #: 113 total cpu time spent up to now is 113.3 secs Computing kpt #: 114 total cpu time spent up to now is 114.2 secs Computing kpt #: 115 total cpu time spent up to now is 115.0 secs Computing kpt #: 116 total cpu time spent up to now is 115.9 secs Computing kpt #: 117 total cpu time spent up to now is 116.9 secs Computing kpt #: 118 total cpu time spent up to now is 118.1 secs Computing kpt #: 119 total cpu time spent up to now is 119.8 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.6 secs Computing kpt #: 121 total cpu time spent up to now is 123.1 secs Computing kpt #: 122 total cpu time spent up to now is 124.1 secs Computing kpt #: 123 total cpu time spent up to now is 125.1 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.9 secs Computing kpt #: 125 total cpu time spent up to now is 128.1 secs Computing kpt #: 126 total cpu time spent up to now is 129.1 secs Computing kpt #: 127 total cpu time spent up to now is 130.1 secs Computing kpt #: 128 total cpu time spent up to now is 131.0 secs Computing kpt #: 129 total cpu time spent up to now is 131.8 secs Computing kpt #: 130 total cpu time spent up to now is 132.5 secs Computing kpt #: 131 total cpu time spent up to now is 133.3 secs Computing kpt #: 132 total cpu time spent up to now is 134.0 secs Computing kpt #: 133 total cpu time spent up to now is 134.9 secs Computing kpt #: 134 total cpu time spent up to now is 135.7 secs Computing kpt #: 135 total cpu time spent up to now is 136.4 secs Computing kpt #: 136 total cpu time spent up to now is 137.3 secs Computing kpt #: 137 total cpu time spent up to now is 138.2 secs Computing kpt #: 138 total cpu time spent up to now is 139.4 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.1 secs Computing kpt #: 140 total cpu time spent up to now is 141.8 secs Computing kpt #: 141 total cpu time spent up to now is 142.5 secs Computing kpt #: 142 total cpu time spent up to now is 143.2 secs Computing kpt #: 143 total cpu time spent up to now is 143.9 secs Computing kpt #: 144 total cpu time spent up to now is 144.6 secs Computing kpt #: 145 total cpu time spent up to now is 145.3 secs Computing kpt #: 146 total cpu time spent up to now is 146.0 secs Computing kpt #: 147 total cpu time spent up to now is 146.7 secs Computing kpt #: 148 total cpu time spent up to now is 147.4 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.1 secs Computing kpt #: 150 total cpu time spent up to now is 150.3 secs Computing kpt #: 151 total cpu time spent up to now is 151.1 secs Computing kpt #: 152 total cpu time spent up to now is 152.1 secs Computing kpt #: 153 total cpu time spent up to now is 153.3 secs Computing kpt #: 154 total cpu time spent up to now is 154.9 secs Computing kpt #: 155 total cpu time spent up to now is 155.8 secs Computing kpt #: 156 total cpu time spent up to now is 156.7 secs Computing kpt #: 157 total cpu time spent up to now is 157.6 secs Computing kpt #: 158 total cpu time spent up to now is 158.6 secs Computing kpt #: 159 total cpu time spent up to now is 159.5 secs Computing kpt #: 160 total cpu time spent up to now is 160.5 secs Computing kpt #: 161 total cpu time spent up to now is 161.5 secs Computing kpt #: 162 total cpu time spent up to now is 162.7 secs Computing kpt #: 163 total cpu time spent up to now is 163.8 secs Computing kpt #: 164 total cpu time spent up to now is 164.6 secs Computing kpt #: 165 total cpu time spent up to now is 165.4 secs Computing kpt #: 166 total cpu time spent up to now is 166.1 secs Computing kpt #: 167 total cpu time spent up to now is 166.9 secs Computing kpt #: 168 total cpu time spent up to now is 167.6 secs Computing kpt #: 169 total cpu time spent up to now is 168.4 secs Computing kpt #: 170 total cpu time spent up to now is 169.2 secs Computing kpt #: 171 total cpu time spent up to now is 169.9 secs Computing kpt #: 172 total cpu time spent up to now is 170.7 secs Computing kpt #: 173 total cpu time spent up to now is 171.5 secs Computing kpt #: 174 total cpu time spent up to now is 172.5 secs Computing kpt #: 175 total cpu time spent up to now is 173.6 secs Computing kpt #: 176 total cpu time spent up to now is 174.3 secs Computing kpt #: 177 total cpu time spent up to now is 175.1 secs Computing kpt #: 178 total cpu time spent up to now is 175.8 secs Computing kpt #: 179 total cpu time spent up to now is 176.6 secs Computing kpt #: 180 total cpu time spent up to now is 177.3 secs Computing kpt #: 181 total cpu time spent up to now is 178.1 secs Computing kpt #: 182 total cpu time spent up to now is 178.8 secs Computing kpt #: 183 total cpu time spent up to now is 179.5 secs Computing kpt #: 184 total cpu time spent up to now is 180.5 secs Computing kpt #: 185 total cpu time spent up to now is 181.3 secs Computing kpt #: 186 total cpu time spent up to now is 182.1 secs Computing kpt #: 187 total cpu time spent up to now is 183.1 secs Computing kpt #: 188 total cpu time spent up to now is 183.8 secs Computing kpt #: 189 total cpu time spent up to now is 184.5 secs Computing kpt #: 190 total cpu time spent up to now is 185.2 secs Computing kpt #: 191 total cpu time spent up to now is 185.9 secs Computing kpt #: 192 total cpu time spent up to now is 186.6 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.4 secs Computing kpt #: 194 total cpu time spent up to now is 189.4 secs Computing kpt #: 195 total cpu time spent up to now is 190.5 secs Computing kpt #: 196 total cpu time spent up to now is 191.5 secs Computing kpt #: 197 total cpu time spent up to now is 192.7 secs Computing kpt #: 198 total cpu time spent up to now is 193.7 secs Computing kpt #: 199 total cpu time spent up to now is 194.6 secs Computing kpt #: 200 total cpu time spent up to now is 195.4 secs Computing kpt #: 201 total cpu time spent up to now is 196.1 secs Computing kpt #: 202 total cpu time spent up to now is 196.9 secs Computing kpt #: 203 total cpu time spent up to now is 197.6 secs Computing kpt #: 204 total cpu time spent up to now is 198.4 secs Computing kpt #: 205 total cpu time spent up to now is 199.1 secs Computing kpt #: 206 total cpu time spent up to now is 200.0 secs Computing kpt #: 207 total cpu time spent up to now is 200.8 secs Computing kpt #: 208 total cpu time spent up to now is 201.6 secs Computing kpt #: 209 total cpu time spent up to now is 202.6 secs Computing kpt #: 210 total cpu time spent up to now is 203.7 secs Computing kpt #: 211 total cpu time spent up to now is 204.9 secs Computing kpt #: 212 total cpu time spent up to now is 205.7 secs Computing kpt #: 213 total cpu time spent up to now is 206.4 secs Computing kpt #: 214 total cpu time spent up to now is 208.2 secs Computing kpt #: 215 total cpu time spent up to now is 209.4 secs Computing kpt #: 216 total cpu time spent up to now is 210.4 secs Computing kpt #: 217 total cpu time spent up to now is 211.2 secs Computing kpt #: 218 total cpu time spent up to now is 212.7 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.8 secs Computing kpt #: 220 total cpu time spent up to now is 215.8 secs Computing kpt #: 221 total cpu time spent up to now is 216.7 secs Computing kpt #: 222 total cpu time spent up to now is 217.7 secs Computing kpt #: 223 total cpu time spent up to now is 218.5 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.3 secs Computing kpt #: 225 total cpu time spent up to now is 221.0 secs Computing kpt #: 226 total cpu time spent up to now is 221.8 secs Computing kpt #: 227 total cpu time spent up to now is 222.6 secs Computing kpt #: 228 total cpu time spent up to now is 223.4 secs Computing kpt #: 229 total cpu time spent up to now is 224.2 secs Computing kpt #: 230 total cpu time spent up to now is 224.9 secs Computing kpt #: 231 total cpu time spent up to now is 225.7 secs Computing kpt #: 232 total cpu time spent up to now is 226.5 secs Computing kpt #: 233 total cpu time spent up to now is 227.2 secs Computing kpt #: 234 total cpu time spent up to now is 228.2 secs Computing kpt #: 235 total cpu time spent up to now is 228.9 secs Computing kpt #: 236 total cpu time spent up to now is 229.7 secs Computing kpt #: 237 total cpu time spent up to now is 230.4 secs Computing kpt #: 238 total cpu time spent up to now is 231.2 secs Computing kpt #: 239 total cpu time spent up to now is 232.3 secs Computing kpt #: 240 total cpu time spent up to now is 233.3 secs Computing kpt #: 241 total cpu time spent up to now is 234.4 secs Computing kpt #: 242 total cpu time spent up to now is 235.6 secs Computing kpt #: 243 total cpu time spent up to now is 236.7 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.6 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.3 secs Computing kpt #: 246 total cpu time spent up to now is 241.6 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.4 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.2 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.1 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.8 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.6 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 252.4 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 254.1 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.8 secs Computing kpt #: 255 total cpu time spent up to now is 257.4 secs Computing kpt #: 256 total cpu time spent up to now is 258.7 secs Computing kpt #: 257 total cpu time spent up to now is 260.3 secs Computing kpt #: 258 total cpu time spent up to now is 261.9 secs Computing kpt #: 259 total cpu time spent up to now is 263.1 secs Computing kpt #: 260 total cpu time spent up to now is 264.6 secs Computing kpt #: 261 total cpu time spent up to now is 265.6 secs Computing kpt #: 262 total cpu time spent up to now is 266.8 secs Computing kpt #: 263 total cpu time spent up to now is 268.3 secs Computing kpt #: 264 total cpu time spent up to now is 269.9 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.7 secs Computing kpt #: 266 total cpu time spent up to now is 272.8 secs Computing kpt #: 267 total cpu time spent up to now is 273.7 secs Computing kpt #: 268 total cpu time spent up to now is 274.7 secs Computing kpt #: 269 total cpu time spent up to now is 275.8 secs Computing kpt #: 270 total cpu time spent up to now is 276.9 secs Computing kpt #: 271 total cpu time spent up to now is 278.2 secs Computing kpt #: 272 total cpu time spent up to now is 279.4 secs Computing kpt #: 273 total cpu time spent up to now is 280.6 secs Computing kpt #: 274 total cpu time spent up to now is 281.9 secs Computing kpt #: 275 total cpu time spent up to now is 283.1 secs Computing kpt #: 276 total cpu time spent up to now is 284.1 secs Computing kpt #: 277 total cpu time spent up to now is 284.9 secs Computing kpt #: 278 total cpu time spent up to now is 285.7 secs Computing kpt #: 279 total cpu time spent up to now is 286.5 secs Computing kpt #: 280 total cpu time spent up to now is 287.2 secs Computing kpt #: 281 total cpu time spent up to now is 287.9 secs Computing kpt #: 282 total cpu time spent up to now is 288.6 secs Computing kpt #: 283 total cpu time spent up to now is 289.3 secs Computing kpt #: 284 total cpu time spent up to now is 289.9 secs Computing kpt #: 285 total cpu time spent up to now is 290.6 secs Computing kpt #: 286 total cpu time spent up to now is 291.3 secs Computing kpt #: 287 total cpu time spent up to now is 291.9 secs Computing kpt #: 288 total cpu time spent up to now is 292.6 secs Computing kpt #: 289 total cpu time spent up to now is 293.3 secs Computing kpt #: 290 total cpu time spent up to now is 294.0 secs Computing kpt #: 291 total cpu time spent up to now is 294.6 secs Computing kpt #: 292 total cpu time spent up to now is 295.3 secs Computing kpt #: 293 total cpu time spent up to now is 296.0 secs Computing kpt #: 294 total cpu time spent up to now is 296.6 secs Computing kpt #: 295 total cpu time spent up to now is 297.3 secs Computing kpt #: 296 total cpu time spent up to now is 298.0 secs Computing kpt #: 297 total cpu time spent up to now is 298.6 secs Computing kpt #: 298 total cpu time spent up to now is 299.3 secs Computing kpt #: 299 total cpu time spent up to now is 300.1 secs Computing kpt #: 300 total cpu time spent up to now is 301.2 secs Computing kpt #: 301 total cpu time spent up to now is 302.6 secs Computing kpt #: 302 total cpu time spent up to now is 304.2 secs Computing kpt #: 303 total cpu time spent up to now is 305.3 secs Computing kpt #: 304 total cpu time spent up to now is 306.3 secs Computing kpt #: 305 total cpu time spent up to now is 307.2 secs Computing kpt #: 306 total cpu time spent up to now is 308.0 secs Computing kpt #: 307 total cpu time spent up to now is 309.0 secs Computing kpt #: 308 total cpu time spent up to now is 309.8 secs Computing kpt #: 309 total cpu time spent up to now is 310.7 secs Computing kpt #: 310 total cpu time spent up to now is 311.8 secs Computing kpt #: 311 total cpu time spent up to now is 313.0 secs Computing kpt #: 312 total cpu time spent up to now is 314.0 secs Computing kpt #: 313 total cpu time spent up to now is 315.0 secs Computing kpt #: 314 total cpu time spent up to now is 316.2 secs Computing kpt #: 315 total cpu time spent up to now is 317.6 secs Computing kpt #: 316 total cpu time spent up to now is 318.6 secs Computing kpt #: 317 total cpu time spent up to now is 319.6 secs Computing kpt #: 318 total cpu time spent up to now is 320.3 secs Computing kpt #: 319 total cpu time spent up to now is 321.2 secs Computing kpt #: 320 total cpu time spent up to now is 322.0 secs Computing kpt #: 321 total cpu time spent up to now is 322.7 secs Computing kpt #: 322 total cpu time spent up to now is 323.5 secs Computing kpt #: 323 total cpu time spent up to now is 324.2 secs Computing kpt #: 324 total cpu time spent up to now is 325.1 secs Computing kpt #: 325 total cpu time spent up to now is 325.9 secs Computing kpt #: 326 total cpu time spent up to now is 326.6 secs Computing kpt #: 327 total cpu time spent up to now is 327.4 secs Computing kpt #: 328 total cpu time spent up to now is 328.2 secs Computing kpt #: 329 total cpu time spent up to now is 328.9 secs Computing kpt #: 330 total cpu time spent up to now is 329.7 secs Computing kpt #: 331 total cpu time spent up to now is 330.4 secs Computing kpt #: 332 total cpu time spent up to now is 331.2 secs Computing kpt #: 333 total cpu time spent up to now is 331.9 secs Computing kpt #: 334 total cpu time spent up to now is 332.7 secs Computing kpt #: 335 total cpu time spent up to now is 333.5 secs Computing kpt #: 336 total cpu time spent up to now is 334.6 secs Computing kpt #: 337 total cpu time spent up to now is 336.0 secs Computing kpt #: 338 total cpu time spent up to now is 336.8 secs Computing kpt #: 339 total cpu time spent up to now is 337.6 secs Computing kpt #: 340 total cpu time spent up to now is 338.3 secs Computing kpt #: 341 total cpu time spent up to now is 339.1 secs Computing kpt #: 342 total cpu time spent up to now is 340.2 secs Computing kpt #: 343 total cpu time spent up to now is 341.0 secs Computing kpt #: 344 total cpu time spent up to now is 342.0 secs Computing kpt #: 345 total cpu time spent up to now is 343.0 secs Computing kpt #: 346 total cpu time spent up to now is 344.0 secs Computing kpt #: 347 total cpu time spent up to now is 345.0 secs Computing kpt #: 348 total cpu time spent up to now is 345.9 secs Computing kpt #: 349 total cpu time spent up to now is 346.8 secs Computing kpt #: 350 total cpu time spent up to now is 347.8 secs Computing kpt #: 351 total cpu time spent up to now is 348.8 secs Computing kpt #: 352 total cpu time spent up to now is 349.9 secs Computing kpt #: 353 total cpu time spent up to now is 351.2 secs Computing kpt #: 354 total cpu time spent up to now is 352.3 secs Computing kpt #: 355 total cpu time spent up to now is 353.4 secs Computing kpt #: 356 total cpu time spent up to now is 354.7 secs Computing kpt #: 357 total cpu time spent up to now is 356.4 secs Computing kpt #: 358 total cpu time spent up to now is 357.9 secs Computing kpt #: 359 total cpu time spent up to now is 358.9 secs Computing kpt #: 360 total cpu time spent up to now is 360.0 secs Computing kpt #: 361 total cpu time spent up to now is 360.9 secs Computing kpt #: 362 total cpu time spent up to now is 361.9 secs Computing kpt #: 363 total cpu time spent up to now is 363.0 secs Computing kpt #: 364 total cpu time spent up to now is 363.9 secs Computing kpt #: 365 total cpu time spent up to now is 364.9 secs Computing kpt #: 366 total cpu time spent up to now is 365.9 secs ethr = 2.08E-08, avg # of iterations = 48.1 total cpu time spent up to now is 365.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4873 PWs) bands (ev): -1.9932 -1.9932 -0.7838 -0.7838 -0.3441 -0.3441 4.3540 4.3540 5.0725 5.0725 6.0809 6.0809 6.1447 6.1447 6.3809 6.3809 6.9497 6.9497 7.2594 7.2594 7.3064 7.3064 7.5895 7.5895 7.6294 7.6294 8.3813 8.3813 8.4418 8.4418 8.4631 8.4631 8.6497 8.6497 8.8898 8.8898 9.0016 9.0016 9.1077 9.1077 9.2157 9.2157 9.2572 9.2572 10.8475 10.8475 10.8641 10.8641 12.4665 12.4665 12.9783 12.9783 13.0412 13.0412 13.1753 13.1753 13.2615 13.2615 k = 0.0000 0.0111-0.0000 ( 4865 PWs) bands (ev): -1.9919 -1.9919 -0.7829 -0.7829 -0.3429 -0.3429 4.3554 4.3554 5.0729 5.0729 6.0806 6.0806 6.1443 6.1443 6.3814 6.3814 6.9488 6.9488 7.2545 7.2545 7.3075 7.3075 7.5906 7.5906 7.6307 7.6307 8.3782 8.3782 8.4233 8.4233 8.4564 8.4564 8.6614 8.6614 8.8875 8.8875 9.0007 9.0007 9.0826 9.0826 9.2303 9.2303 9.2802 9.2802 10.8448 10.8448 10.8615 10.8615 12.4726 12.4726 12.9501 12.9501 13.0408 13.0408 13.1863 13.1863 13.2740 13.2740 k = 0.0000 0.0222-0.0000 ( 4865 PWs) bands (ev): -1.9882 -1.9882 -0.7802 -0.7802 -0.3394 -0.3394 4.3594 4.3594 5.0739 5.0739 6.0792 6.0792 6.1430 6.1430 6.3831 6.3831 6.9461 6.9461 7.2408 7.2408 7.3101 7.3101 7.5928 7.5928 7.6353 7.6353 8.3441 8.3441 8.3906 8.3906 8.4539 8.4539 8.6807 8.6807 8.8809 8.8809 8.9977 8.9977 9.0437 9.0437 9.2431 9.2431 9.3441 9.3441 10.8367 10.8367 10.8538 10.8538 12.4907 12.4907 12.8902 12.8902 13.0380 13.0380 13.1850 13.1850 13.2877 13.2878 k = 0.0000 0.0333-0.0000 ( 4863 PWs) bands (ev): -1.9819 -1.9819 -0.7758 -0.7758 -0.3335 -0.3335 4.3660 4.3660 5.0756 5.0756 6.0768 6.0768 6.1411 6.1411 6.3859 6.3859 6.9413 6.9413 7.2201 7.2201 7.3131 7.3131 7.5937 7.5937 7.6448 7.6448 8.2595 8.2595 8.3835 8.3835 8.4531 8.4531 8.6887 8.6887 8.8711 8.8711 8.9926 8.9926 9.0164 9.0164 9.2553 9.2553 9.4229 9.4229 10.8229 10.8229 10.8417 10.8417 12.5203 12.5203 12.8219 12.8219 13.0326 13.0326 13.1616 13.1616 13.3020 13.3020 k = 0.0000 0.0444-0.0000 ( 4863 PWs) bands (ev): -1.9732 -1.9732 -0.7696 -0.7696 -0.3253 -0.3253 4.3753 4.3753 5.0778 5.0778 6.0729 6.0729 6.1389 6.1389 6.3898 6.3898 6.9342 6.9342 7.1936 7.1936 7.3163 7.3163 7.5921 7.5921 7.6590 7.6590 8.1579 8.1579 8.3790 8.3790 8.4522 8.4522 8.6787 8.6787 8.8592 8.8592 8.9853 8.9853 9.0069 9.0069 9.2693 9.2693 9.5067 9.5067 10.8035 10.8035 10.8257 10.8257 12.5601 12.5601 12.7529 12.7529 13.0249 13.0249 13.1258 13.1258 13.3215 13.3215 k = 0.0000 0.0556-0.0000 ( 4865 PWs) bands (ev): -1.9620 -1.9620 -0.7618 -0.7618 -0.3147 -0.3147 4.3872 4.3872 5.0806 5.0806 6.0672 6.0672 6.1369 6.1369 6.3949 6.3949 6.9245 6.9245 7.1618 7.1618 7.3197 7.3197 7.5879 7.5879 7.6765 7.6765 8.0477 8.0477 8.3739 8.3739 8.4504 8.4504 8.6524 8.6524 8.8468 8.8468 8.9756 8.9756 9.0129 9.0129 9.2849 9.2849 9.5920 9.5920 10.7793 10.7793 10.8060 10.8060 12.6084 12.6084 12.6865 12.6865 13.0148 13.0148 13.0825 13.0825 13.3454 13.3454 k = 0.0000 0.0667-0.0000 ( 4853 PWs) bands (ev): -1.9483 -1.9483 -0.7522 -0.7522 -0.3018 -0.3018 4.4016 4.4016 5.0839 5.0839 6.0593 6.0593 6.1355 6.1355 6.4010 6.4010 6.9119 6.9119 7.1246 7.1246 7.3232 7.3232 7.5818 7.5818 7.6955 7.6955 7.9341 7.9341 8.3678 8.3678 8.4474 8.4474 8.6159 8.6159 8.8352 8.8352 8.9633 8.9633 9.0288 9.0288 9.3013 9.3013 9.6770 9.6770 10.7515 10.7515 10.7824 10.7824 12.6205 12.6205 12.6672 12.6672 12.9986 12.9986 13.0384 13.0384 13.3729 13.3729 k = 0.0000 0.0778-0.0000 ( 4851 PWs) bands (ev): -1.9322 -1.9322 -0.7410 -0.7410 -0.2865 -0.2865 4.4187 4.4187 5.0874 5.0874 6.0488 6.0488 6.1348 6.1348 6.4081 6.4081 6.8959 6.8959 7.0809 7.0809 7.3269 7.3269 7.5741 7.5741 7.7116 7.7116 7.8243 7.8243 8.3604 8.3604 8.4423 8.4423 8.5740 8.5740 8.8257 8.8257 8.9482 8.9482 9.0503 9.0503 9.3177 9.3177 9.7607 9.7607 10.7209 10.7209 10.7548 10.7548 12.5624 12.5624 12.7275 12.7275 12.9617 12.9617 13.0109 13.0109 13.4021 13.4021 k = 0.0000 0.0889-0.0000 ( 4849 PWs) bands (ev): -1.9137 -1.9137 -0.7282 -0.7282 -0.2689 -0.2689 4.4382 4.4382 5.0911 5.0911 6.0356 6.0356 6.1351 6.1351 6.4162 6.4162 6.8762 6.8762 7.0289 7.0289 7.3307 7.3307 7.5650 7.5650 7.6842 7.6842 7.7625 7.7625 8.3517 8.3517 8.4347 8.4347 8.5303 8.5303 8.8194 8.8194 8.9300 8.9300 9.0747 9.0747 9.3336 9.3336 9.8425 9.8425 10.6888 10.6888 10.7232 10.7232 12.5078 12.5078 12.7914 12.7914 12.9092 12.9092 12.9978 12.9978 13.4308 13.4308 k = 0.0000 0.1000-0.0000 ( 4857 PWs) bands (ev): -1.8927 -1.8927 -0.7138 -0.7138 -0.2489 -0.2489 4.4601 4.4601 5.0948 5.0948 6.0199 6.0199 6.1362 6.1362 6.4253 6.4253 6.8524 6.8524 6.9655 6.9655 7.3344 7.3344 7.5544 7.5544 7.5931 7.5931 7.7737 7.7737 8.3413 8.3413 8.4237 8.4237 8.4869 8.4869 8.8172 8.8172 8.9089 8.9089 9.1009 9.1009 9.3485 9.3485 9.9220 9.9220 10.6558 10.6558 10.6879 10.6879 12.4580 12.4580 12.8360 12.8360 12.8731 12.8731 12.9892 12.9892 13.4556 13.4556 k = 0.0000 0.1111-0.0000 ( 4859 PWs) bands (ev): -1.8695 -1.8695 -0.6979 -0.6979 -0.2266 -0.2266 4.4845 4.4845 5.0983 5.0983 6.0017 6.0017 6.1382 6.1382 6.4354 6.4354 6.8245 6.8245 6.8876 6.8876 7.3373 7.3373 7.5050 7.5050 7.5443 7.5443 7.7939 7.7939 8.3290 8.3290 8.4082 8.4082 8.4465 8.4465 8.8192 8.8192 8.8849 8.8849 9.1285 9.1285 9.3620 9.3620 9.9989 9.9989 10.6227 10.6227 10.6489 10.6489 12.4130 12.4130 12.7876 12.7876 12.9260 12.9260 12.9862 12.9862 13.4722 13.4722 k = 0.0000 0.1222-0.0000 ( 4867 PWs) bands (ev): -1.8439 -1.8439 -0.6806 -0.6806 -0.2020 -0.2020 4.5111 4.5111 5.1012 5.1012 5.9811 5.9811 6.1410 6.1410 6.4464 6.4464 6.7921 6.7921 6.7938 6.7938 7.3383 7.3383 7.4344 7.4344 7.5321 7.5321 7.8151 7.8151 8.3143 8.3143 8.3852 8.3852 8.4132 8.4132 8.8242 8.8242 8.8597 8.8597 9.1573 9.1573 9.3739 9.3739 10.0731 10.0731 10.5894 10.5894 10.6070 10.6070 12.3727 12.3727 12.7311 12.7311 12.9609 12.9609 13.0108 13.0108 13.4765 13.4765 k = 0.0000 0.1333-0.0000 ( 4867 PWs) bands (ev): -1.8161 -1.8161 -0.6620 -0.6620 -0.1750 -0.1750 4.5399 4.5399 5.1034 5.1034 5.9583 5.9583 6.1444 6.1444 6.4581 6.4581 6.6823 6.6823 6.7579 6.7579 7.3323 7.3323 7.3856 7.3856 7.5200 7.5200 7.8363 7.8363 8.2966 8.2966 8.3544 8.3544 8.3889 8.3889 8.8165 8.8165 8.8489 8.8489 9.1874 9.1874 9.3839 9.3839 10.1443 10.1443 10.5536 10.5536 10.5652 10.5652 12.3370 12.3370 12.6764 12.6764 12.9644 12.9644 13.0657 13.0657 13.4661 13.4661 k = 0.0000 0.1444-0.0000 ( 4867 PWs) bands (ev): -1.7860 -1.7860 -0.6421 -0.6421 -0.1457 -0.1457 4.5708 4.5708 5.1046 5.1046 5.9334 5.9334 6.1485 6.1485 6.4705 6.4705 6.5580 6.5580 6.7203 6.7203 7.3101 7.3101 7.3655 7.3655 7.5081 7.5081 7.8569 7.8569 8.2750 8.2750 8.3234 8.3234 8.3676 8.3676 8.7866 8.7866 8.8621 8.8621 9.2190 9.2190 9.3918 9.3918 10.2124 10.2124 10.5087 10.5087 10.5302 10.5302 12.3055 12.3055 12.6250 12.6250 12.9657 12.9657 13.1182 13.1182 13.4428 13.4428 k = 0.0000 0.1556-0.0000 ( 4871 PWs) bands (ev): -1.7537 -1.7537 -0.6210 -0.6210 -0.1140 -0.1140 4.6037 4.6037 5.1043 5.1043 5.9066 5.9066 6.1531 6.1531 6.4221 6.4221 6.4844 6.4844 6.6812 6.6812 7.2823 7.2823 7.3597 7.3597 7.4972 7.4972 7.8768 7.8768 8.2496 8.2496 8.2953 8.2953 8.3466 8.3466 8.7510 8.7510 8.8829 8.8829 9.2523 9.2523 9.3976 9.3976 10.2770 10.2770 10.4585 10.4585 10.4987 10.4987 12.2780 12.2780 12.5782 12.5782 12.9691 12.9691 13.1561 13.1561 13.4160 13.4160 k = 0.0000 0.1667-0.0000 ( 4863 PWs) bands (ev): -1.7193 -1.7193 -0.5988 -0.5988 -0.0800 -0.0800 4.6383 4.6383 5.1022 5.1022 5.8779 5.8779 6.1581 6.1581 6.2800 6.2800 6.4972 6.4972 6.6420 6.6420 7.2583 7.2583 7.3550 7.3550 7.4883 7.4883 7.8959 7.8959 8.2222 8.2222 8.2695 8.2695 8.3256 8.3256 8.7127 8.7127 8.9082 8.9082 9.2873 9.2873 9.4013 9.4013 10.3376 10.3376 10.4058 10.4058 10.4679 10.4679 12.2540 12.2540 12.5370 12.5370 12.9757 12.9757 13.1638 13.1638 13.4040 13.4040 k = 0.0000 0.1778-0.0000 ( 4863 PWs) bands (ev): -1.6829 -1.6829 -0.5757 -0.5757 -0.0436 -0.0436 4.6746 4.6746 5.0979 5.0979 5.8475 5.8475 6.1308 6.1308 6.1653 6.1653 6.5087 6.5087 6.6050 6.6050 7.2388 7.2388 7.3478 7.3478 7.4821 7.4821 7.9140 7.9140 8.1949 8.1949 8.2443 8.2443 8.3046 8.3046 8.6728 8.6728 8.9374 8.9374 9.3242 9.3242 9.4028 9.4028 10.3508 10.3508 10.3936 10.3936 10.4376 10.4376 12.2330 12.2330 12.5021 12.5021 12.9858 12.9858 13.1328 13.1328 13.4192 13.4192 k = 0.0000 0.1889-0.0000 ( 4867 PWs) bands (ev): -1.6445 -1.6445 -0.5517 -0.5517 -0.0049 -0.0049 4.7121 4.7121 5.0910 5.0910 5.8158 5.8158 5.9805 5.9805 6.1703 6.1703 6.5127 6.5127 6.5772 6.5772 7.2228 7.2228 7.3369 7.3369 7.4791 7.4791 7.9309 7.9309 8.1689 8.1689 8.2188 8.2188 8.2833 8.2833 8.6319 8.6319 8.9701 8.9701 9.3631 9.3631 9.4023 9.4023 10.2953 10.2953 10.4025 10.4025 10.4478 10.4478 12.2146 12.2146 12.4742 12.4742 12.9996 12.9996 13.0757 13.0757 13.4525 13.4525 k = 0.0000 0.2000-0.0000 ( 4871 PWs) bands (ev): -1.6041 -1.6041 -0.5270 -0.5270 0.0361 0.0361 4.7506 4.7506 5.0809 5.0809 5.7828 5.7828 5.8273 5.8273 6.1766 6.1766 6.4971 6.4971 6.5716 6.5716 7.2095 7.2095 7.3223 7.3223 7.4790 7.4790 7.9462 7.9462 8.1451 8.1451 8.1932 8.1932 8.2617 8.2617 8.5909 8.5909 9.0060 9.0060 9.3967 9.3967 9.4071 9.4071 10.2388 10.2388 10.3697 10.3697 10.4922 10.4922 12.1982 12.1982 12.4539 12.4539 13.0074 13.0074 13.0180 13.0180 13.4914 13.4914 k = 0.0000 0.2111-0.0000 ( 4871 PWs) bands (ev): -1.5620 -1.5620 -0.5018 -0.5018 0.0795 0.0795 4.7896 4.7896 5.0675 5.0675 5.6720 5.6720 5.7498 5.7498 6.1834 6.1834 6.4685 6.4685 6.5825 6.5825 7.1982 7.1982 7.3045 7.3045 7.4812 7.4812 7.9591 7.9591 8.1240 8.1240 8.1677 8.1677 8.2397 8.2397 8.5503 8.5503 9.0450 9.0450 9.3940 9.3940 9.4485 9.4485 10.1819 10.1819 10.3342 10.3342 10.5304 10.5304 12.1833 12.1833 12.4414 12.4414 12.9384 12.9384 13.0394 13.0394 13.5294 13.5294 k = 0.0000 0.2222-0.0000 ( 4871 PWs) bands (ev): -1.5180 -1.5180 -0.4761 -0.4761 0.1252 0.1252 4.8287 4.8287 5.0502 5.0502 5.5166 5.5166 5.7162 5.7162 6.1904 6.1904 6.4387 6.4387 6.5988 6.5988 7.1883 7.1883 7.2842 7.2842 7.4849 7.4849 7.9681 7.9681 8.1058 8.1058 8.1437 8.1437 8.2170 8.2170 8.5111 8.5111 9.0868 9.0868 9.3877 9.3877 9.4939 9.4939 10.1249 10.1249 10.2962 10.2962 10.5602 10.5602 12.1693 12.1693 12.4367 12.4367 12.8727 12.8727 13.0652 13.0652 13.5632 13.5632 k = 0.0000 0.2333-0.0000 ( 4859 PWs) bands (ev): -1.4725 -1.4725 -0.4501 -0.4501 0.1733 0.1733 4.8669 4.8669 5.0287 5.0287 5.3611 5.3611 5.6833 5.6833 6.1975 6.1975 6.4116 6.4116 6.6173 6.6173 7.1795 7.1795 7.2622 7.2622 7.4893 7.4893 7.9715 7.9715 8.0891 8.0891 8.1246 8.1246 8.1940 8.1940 8.4738 8.4738 9.1311 9.1311 9.3799 9.3799 9.5416 9.5416 10.0682 10.0682 10.2554 10.2554 10.5805 10.5805 12.1555 12.1555 12.4395 12.4395 12.8144 12.8144 13.0950 13.0950 13.5908 13.5908 k = 0.0000 0.2444-0.0000 ( 4849 PWs) bands (ev): -1.4254 -1.4254 -0.4241 -0.4241 0.2237 0.2237 4.9032 4.9032 5.0026 5.0026 5.2065 5.2065 5.6522 5.6522 6.2048 6.2048 6.3884 6.3884 6.6373 6.6373 7.1713 7.1713 7.2391 7.2391 7.4937 7.4937 7.9676 7.9676 8.0692 8.0692 8.1158 8.1158 8.1714 8.1714 8.4389 8.4389 9.1778 9.1778 9.3710 9.3710 9.5913 9.5913 10.0121 10.0121 10.2118 10.2118 10.5897 10.5897 12.1413 12.1413 12.4492 12.4492 12.7666 12.7666 13.1287 13.1287 13.6102 13.6102 k = 0.0000 0.2556-0.0000 ( 4841 PWs) bands (ev): -1.3768 -1.3768 -0.3982 -0.3982 0.2765 0.2765 4.9358 4.9358 4.9693 4.9693 5.0564 5.0564 5.6242 5.6242 6.2121 6.2121 6.3700 6.3700 6.6582 6.6582 7.1628 7.1628 7.2161 7.2161 7.4977 7.4977 7.9571 7.9571 8.0453 8.0453 8.1142 8.1142 8.1529 8.1529 8.4070 8.4070 9.2263 9.2263 9.3616 9.3616 9.6429 9.6429 9.9568 9.9568 10.1655 10.1655 10.5871 10.5871 12.1261 12.1261 12.4648 12.4648 12.7315 12.7315 13.1662 13.1662 13.6117 13.6117 k = 0.0000 0.2667-0.0000 ( 4837 PWs) bands (ev): -1.3269 -1.3269 -0.3726 -0.3726 0.3316 0.3316 4.8815 4.8815 4.9552 4.9552 4.9660 4.9660 5.6013 5.6013 6.2193 6.2193 6.3566 6.3566 6.6800 6.6800 7.1525 7.1525 7.1948 7.1948 7.5006 7.5006 7.9418 7.9418 8.0195 8.0195 8.1040 8.1040 8.1504 8.1504 8.3783 8.3783 9.2745 9.2745 9.3540 9.3540 9.6961 9.6961 9.9027 9.9027 10.1164 10.1164 10.5719 10.5719 12.1092 12.1092 12.4846 12.4846 12.7107 12.7107 13.2071 13.2071 13.5690 13.5690 k = 0.0000 0.2778-0.0000 ( 4825 PWs) bands (ev): -1.2759 -1.2759 -0.3475 -0.3475 0.3892 0.3892 4.7351 4.7351 4.9131 4.9131 4.9864 4.9864 5.5855 5.5855 6.2264 6.2264 6.3482 6.3482 6.7024 6.7024 7.1371 7.1371 7.1787 7.1787 7.5020 7.5020 7.9237 7.9237 7.9930 7.9930 8.0829 8.0829 8.1637 8.1637 8.3531 8.3531 9.3091 9.3091 9.3616 9.3616 9.7503 9.7503 9.8500 9.8500 10.0650 10.0650 10.5446 10.5446 12.0899 12.0899 12.5067 12.5067 12.7051 12.7051 13.2513 13.2513 13.5161 13.5161 k = 0.0000 0.2889-0.0000 ( 4815 PWs) bands (ev): -1.2238 -1.2238 -0.3231 -0.3231 0.4491 0.4491 4.5841 4.5841 4.8734 4.8734 4.9982 4.9982 5.5790 5.5790 6.2335 6.2335 6.3444 6.3444 6.7255 6.7255 7.1157 7.1157 7.1690 7.1690 7.5014 7.5014 7.9040 7.9040 7.9663 7.9663 8.0589 8.0589 8.1836 8.1836 8.3316 8.3316 9.3104 9.3104 9.4044 9.4044 9.7932 9.7932 9.8105 9.8105 10.0114 10.0114 10.5062 10.5062 12.0675 12.0675 12.5283 12.5283 12.7146 12.7146 13.2979 13.2979 13.4669 13.4669 k = 0.0000 0.3000-0.0000 ( 4829 PWs) bands (ev): -1.1708 -1.1708 -0.2997 -0.2997 0.5114 0.5114 4.4336 4.4336 4.8325 4.8325 4.9992 4.9992 5.5833 5.5833 6.2408 6.2408 6.3448 6.3448 6.7491 6.7491 7.0907 7.0907 7.1633 7.1633 7.4984 7.4984 7.8832 7.8832 7.9399 7.9399 8.0345 8.0345 8.2070 8.2070 8.3138 8.3138 9.3002 9.3002 9.4606 9.4606 9.7473 9.7473 9.8606 9.8606 9.9561 9.9561 10.4589 10.4589 12.0415 12.0415 12.5459 12.5459 12.7385 12.7385 13.3448 13.3448 13.4281 13.4281 k = 0.0000 0.3111-0.0000 ( 4845 PWs) bands (ev): -1.1170 -1.1170 -0.2775 -0.2775 0.5761 0.5761 4.2843 4.2843 4.7905 4.7905 4.9893 4.9893 5.5989 5.5989 6.2486 6.2486 6.3486 6.3486 6.7730 6.7730 7.0641 7.0641 7.1600 7.1600 7.4927 7.4927 7.8612 7.8612 7.9147 7.9147 8.0104 8.0104 8.2329 8.2329 8.3001 8.3001 9.2878 9.2878 9.5210 9.5210 9.6993 9.6993 9.8989 9.8989 9.9116 9.9116 10.4066 10.4066 12.0113 12.0113 12.5553 12.5553 12.7757 12.7757 13.3726 13.3726 13.4223 13.4223 k = 0.0000 0.3222-0.0000 ( 4851 PWs) bands (ev): -1.0627 -1.0627 -0.2567 -0.2567 0.6433 0.6433 4.1365 4.1365 4.7479 4.7479 4.9694 4.9694 5.6247 5.6247 6.2570 6.2570 6.3553 6.3553 6.7973 6.7973 7.0370 7.0370 7.1581 7.1581 7.4842 7.4842 7.8375 7.8375 7.8914 7.8914 7.9869 7.9869 8.2609 8.2609 8.2905 8.2905 9.2749 9.2749 9.5843 9.5843 9.6530 9.6530 9.8413 9.8413 9.9536 9.9536 10.3564 10.3564 11.9764 11.9764 12.5523 12.5523 12.8249 12.8249 13.3672 13.3672 13.4670 13.4670 k = 0.0000 0.3333-0.0000 ( 4851 PWs) bands (ev): -1.0081 -1.0081 -0.2376 -0.2376 0.7129 0.7129 3.9904 3.9904 4.7055 4.7055 4.9415 4.9415 5.6588 5.6588 6.2663 6.2663 6.3641 6.3641 6.8214 6.8214 7.0102 7.0102 7.1573 7.1573 7.4730 7.4730 7.8116 7.8116 7.8708 7.8708 7.9641 7.9641 8.2854 8.2854 8.2907 8.2907 9.2621 9.2621 9.6085 9.6085 9.6496 9.6496 9.7829 9.7829 9.9764 9.9764 10.3205 10.3205 11.9364 11.9364 12.5339 12.5339 12.8847 12.8847 13.3703 13.3703 13.5221 13.5221 k = 0.0000 0.3444-0.0000 ( 4855 PWs) bands (ev): -0.9532 -0.9532 -0.2205 -0.2205 0.7849 0.7849 3.8461 3.8461 4.6638 4.6638 4.9075 4.9075 5.6994 5.6994 6.2762 6.2762 6.3746 6.3746 6.8447 6.8447 6.9846 6.9846 7.1576 7.1576 7.4594 7.4594 7.7835 7.7835 7.8528 7.8528 7.9419 7.9419 8.2851 8.2851 8.3221 8.3221 9.2496 9.2496 9.5661 9.5661 9.7089 9.7089 9.7322 9.7322 9.9657 9.9657 10.3148 10.3148 11.8911 11.8911 12.4995 12.4995 12.9539 12.9539 13.3891 13.3891 13.5797 13.5797 k = 0.0000 0.3556-0.0000 ( 4847 PWs) bands (ev): -0.8984 -0.8984 -0.2056 -0.2056 0.8595 0.8595 3.7037 3.7037 4.6236 4.6236 4.8693 4.8693 5.7445 5.7445 6.2868 6.2868 6.3863 6.3863 6.8649 6.8649 6.9623 6.9623 7.1588 7.1588 7.4438 7.4438 7.7537 7.7537 7.8368 7.8368 7.9204 7.9204 8.2897 8.2897 8.3550 8.3550 9.2377 9.2377 9.5258 9.5258 9.6618 9.6618 9.7894 9.7894 9.9197 9.9197 10.3425 10.3425 11.8405 11.8405 12.4506 12.4506 13.0309 13.0309 13.4220 13.4220 13.6375 13.6375 k = 0.0000 0.3667-0.0000 ( 4845 PWs) bands (ev): -0.8439 -0.8439 -0.1931 -0.1931 0.9365 0.9365 3.5634 3.5634 4.5853 4.5853 4.8285 4.8285 5.7927 5.7927 6.2976 6.2976 6.3990 6.3990 6.8757 6.8757 6.9500 6.9500 7.1610 7.1610 7.4266 7.4266 7.7227 7.7227 7.8221 7.8221 7.8996 7.8996 8.2994 8.2994 8.3894 8.3894 9.2267 9.2267 9.4876 9.4876 9.6026 9.6026 9.8435 9.8435 9.8677 9.8677 10.3925 10.3925 11.7846 11.7846 12.3899 12.3899 13.1145 13.1145 13.4656 13.4656 13.6827 13.6827 k = 0.0000 0.3778-0.0000 ( 4851 PWs) bands (ev): -0.7898 -0.7898 -0.1833 -0.1833 1.0161 1.0161 3.4251 3.4251 4.5496 4.5496 4.7862 4.7862 5.8426 5.8426 6.3085 6.3085 6.4125 6.4125 6.8683 6.8683 6.9563 6.9563 7.1640 7.1640 7.4084 7.4084 7.6909 7.6909 7.8082 7.8082 7.8793 7.8793 8.3143 8.3143 8.4251 8.4251 9.2166 9.2166 9.4516 9.4516 9.5432 9.5432 9.7672 9.7672 9.9364 9.9364 10.4548 10.4548 11.7236 11.7236 12.3202 12.3202 13.2034 13.2034 13.5159 13.5159 13.7016 13.7016 k = 0.0000 0.3889-0.0000 ( 4847 PWs) bands (ev): -0.7364 -0.7364 -0.1764 -0.1764 1.0982 1.0982 3.2891 3.2891 4.5170 4.5170 4.7435 4.7435 5.8934 5.8934 6.3191 6.3191 6.4266 6.4266 6.8485 6.8485 6.9754 6.9754 7.1679 7.1679 7.3897 7.3897 7.6587 7.6587 7.7950 7.7950 7.8598 7.8598 8.3343 8.3343 8.4620 8.4620 9.2077 9.2077 9.4178 9.4178 9.4842 9.4842 9.6802 9.6802 10.0118 10.0118 10.5241 10.5241 11.6579 11.6579 12.2438 12.2438 13.2961 13.2961 13.5694 13.5694 13.7203 13.7203 k = 0.0000 0.4000-0.0000 ( 4843 PWs) bands (ev): -0.6840 -0.6840 -0.1727 -0.1727 1.1828 1.1828 3.1554 3.1554 4.4878 4.4878 4.7011 4.7011 5.9442 5.9442 6.3289 6.3289 6.4412 6.4412 6.8245 6.8245 6.9990 6.9990 7.1728 7.1728 7.3709 7.3709 7.6262 7.6262 7.7824 7.7824 7.8409 7.8409 8.3594 8.3594 8.5001 8.5001 9.2001 9.2001 9.3861 9.3861 9.4257 9.4257 9.5905 9.5905 10.0893 10.0893 10.5980 10.5980 11.5880 11.5880 12.1625 12.1625 13.3911 13.3911 13.6227 13.6227 13.7430 13.7430 k = 0.0000 0.4111-0.0000 ( 4851 PWs) bands (ev): -0.6329 -0.6329 -0.1722 -0.1722 1.2701 1.2701 3.0240 3.0240 4.4626 4.4626 4.6597 4.6597 5.9942 5.9942 6.3374 6.3374 6.4564 6.4564 6.7992 6.7992 7.0240 7.0240 7.1785 7.1785 7.3527 7.3527 7.5936 7.5936 7.7704 7.7704 7.8230 7.8230 8.3895 8.3895 8.5393 8.5393 9.1937 9.1937 9.3562 9.3562 9.3681 9.3681 9.5007 9.5007 10.1684 10.1684 10.6751 10.6751 11.5142 11.5142 12.0778 12.0778 13.4858 13.4858 13.6732 13.6732 13.7715 13.7715 k = 0.0000 0.4222-0.0000 ( 4872 PWs) bands (ev): -0.5832 -0.5832 -0.1752 -0.1752 1.3599 1.3599 2.8950 2.8950 4.4415 4.4415 4.6200 4.6200 6.0427 6.0427 6.3441 6.3441 6.4721 6.4721 6.7736 6.7736 7.0492 7.0492 7.1850 7.1850 7.3355 7.3355 7.5609 7.5609 7.7594 7.7594 7.8060 7.8060 8.4243 8.4243 8.5793 8.5793 9.1888 9.1888 9.3109 9.3109 9.3280 9.3280 9.4129 9.4129 10.2490 10.2490 10.7546 10.7546 11.4372 11.4372 11.9906 11.9906 13.5760 13.5760 13.7194 13.7194 13.8084 13.8084 k = 0.0000 0.4333-0.0000 ( 4870 PWs) bands (ev): -0.5353 -0.5353 -0.1819 -0.1819 1.4524 1.4524 2.7684 2.7684 4.4249 4.4249 4.5824 4.5824 6.0892 6.0892 6.3483 6.3483 6.4885 6.4885 6.7482 6.7482 7.0738 7.0738 7.1922 7.1922 7.3201 7.3201 7.5286 7.5286 7.7496 7.7496 7.7901 7.7901 8.4636 8.4636 8.6200 8.6200 9.1850 9.1850 9.2552 9.2552 9.2952 9.2952 9.3342 9.3342 10.3311 10.3311 10.8362 10.8362 11.3575 11.3575 11.9017 11.9017 13.6540 13.6540 13.7613 13.7613 13.8581 13.8581 k = 0.0000 0.4444-0.0000 ( 4854 PWs) bands (ev): -0.4894 -0.4894 -0.1922 -0.1922 1.5475 1.5475 2.6444 2.6444 4.4129 4.4129 4.5474 4.5474 6.1330 6.1330 6.3497 6.3497 6.5058 6.5058 6.7230 6.7230 7.0972 7.0972 7.1995 7.1995 7.3078 7.3078 7.4965 7.4965 7.7414 7.7414 7.7757 7.7757 8.5073 8.5073 8.6608 8.6608 9.1801 9.1801 9.2009 9.2009 9.2342 9.2342 9.2919 9.2919 10.4144 10.4144 10.9194 10.9194 11.2757 11.2757 11.8117 11.8117 13.7128 13.7128 13.7977 13.7977 13.9259 13.9259 k = 0.0000 0.4556-0.0000 ( 4850 PWs) bands (ev): -0.4458 -0.4458 -0.2062 -0.2062 1.6452 1.6452 2.5229 2.5229 4.4057 4.4057 4.5154 4.5154 6.1737 6.1737 6.3474 6.3474 6.5239 6.5239 6.6983 6.6983 7.1189 7.1189 7.2052 7.2052 7.3005 7.3005 7.4650 7.4650 7.7349 7.7349 7.7628 7.7628 8.5548 8.5548 8.7008 8.7008 9.1440 9.1440 9.1480 9.1480 9.1939 9.1939 9.2689 9.2689 10.4989 10.4989 11.0033 11.0033 11.1929 11.1929 11.7211 11.7211 13.7542 13.7542 13.8252 13.8252 13.9860 13.9860 k = 0.0000 0.4667-0.0000 ( 4848 PWs) bands (ev): -0.4048 -0.4048 -0.2240 -0.2240 1.7456 1.7456 2.4039 2.4039 4.4033 4.4033 4.4869 4.4869 6.2107 6.2107 6.3413 6.3413 6.5429 6.5429 6.6741 6.6741 7.1384 7.1384 7.2070 7.2070 7.3009 7.3009 7.4342 7.4342 7.7304 7.7304 7.7516 7.7516 8.6056 8.6056 8.7382 8.7382 9.0758 9.0758 9.0975 9.0975 9.1922 9.1922 9.2505 9.2505 10.5842 10.5842 11.0762 11.0762 11.1211 11.1211 11.6302 11.6302 13.7850 13.7850 13.8425 13.8425 14.0015 14.0015 k = 0.0000 0.4778-0.0000 ( 4844 PWs) bands (ev): -0.3665 -0.3665 -0.2455 -0.2455 1.8487 1.8487 2.2876 2.2876 4.4057 4.4057 4.4621 4.4621 6.2437 6.2437 6.3309 6.3309 6.5627 6.5627 6.6505 6.6505 7.1557 7.1557 7.2034 7.2034 7.3104 7.3104 7.4044 7.4044 7.7281 7.7281 7.7424 7.7424 8.6585 8.6585 8.7678 8.7678 9.0161 9.0161 9.0504 9.0504 9.1958 9.1958 9.2348 9.2348 10.6703 10.6703 11.0159 11.0159 11.1827 11.1827 11.5394 11.5394 13.8094 13.8094 13.8504 13.8504 14.0171 14.0171 k = 0.0000 0.4889-0.0000 ( 4842 PWs) bands (ev): -0.3313 -0.3313 -0.2706 -0.2706 1.9544 1.9544 2.1739 2.1739 4.4130 4.4130 4.4414 4.4414 6.2724 6.2724 6.3160 6.3160 6.5835 6.5835 6.6274 6.6274 7.1709 7.1709 7.1952 7.1952 7.3277 7.3277 7.3762 7.3762 7.7282 7.7282 7.7354 7.7354 8.7107 8.7107 8.7775 8.7775 8.9802 8.9802 9.0092 9.0092 9.2021 9.2021 9.2216 9.2216 10.7569 10.7569 10.9304 10.9304 11.2699 11.2699 11.4489 11.4489 13.8286 13.8286 13.8499 13.8499 14.0316 14.0316 k = 0.0000 0.5000-0.0000 ( 4864 PWs) bands (ev): -0.2992 -0.2992 -0.2992 -0.2992 2.0628 2.0628 2.0628 2.0628 4.4249 4.4249 4.4249 4.4249 6.2965 6.2965 6.2965 6.2965 6.6051 6.6051 6.6051 6.6051 7.1841 7.1841 7.1841 7.1841 7.3502 7.3502 7.3502 7.3502 7.7305 7.7305 7.7305 7.7305 8.7553 8.7553 8.7553 8.7553 8.9810 8.9810 8.9810 8.9810 9.2107 9.2107 9.2107 9.2107 10.8438 10.8438 10.8438 10.8438 11.3589 11.3589 11.3589 11.3589 13.8423 13.8423 13.8423 13.8423 14.0439 14.0439 k = 0.0000 0.5000-0.0000 ( 4864 PWs) bands (ev): -0.2992 -0.2992 -0.2992 -0.2992 2.0628 2.0628 2.0628 2.0628 4.4249 4.4249 4.4249 4.4249 6.2965 6.2965 6.2965 6.2965 6.6051 6.6051 6.6051 6.6051 7.1841 7.1841 7.1841 7.1841 7.3502 7.3502 7.3502 7.3502 7.7305 7.7305 7.7305 7.7305 8.7553 8.7553 8.7553 8.7553 8.9810 8.9810 8.9810 8.9810 9.2107 9.2107 9.2107 9.2107 10.8438 10.8438 10.8438 10.8438 11.3589 11.3589 11.3589 11.3589 13.8423 13.8423 13.8423 13.8423 14.0439 14.0439 k = 0.0111 0.5000-0.0000 ( 4848 PWs) bands (ev): -0.2988 -0.2988 -0.2986 -0.2986 2.0639 2.0639 2.0644 2.0644 4.4250 4.4250 4.4259 4.4259 6.2965 6.2965 6.2970 6.2970 6.6039 6.6039 6.6050 6.6050 7.1813 7.1813 7.1857 7.1857 7.3472 7.3472 7.3519 7.3519 7.7303 7.7303 7.7321 7.7321 8.7468 8.7468 8.7583 8.7583 8.9802 8.9802 8.9814 8.9814 9.2067 9.2067 9.2166 9.2166 10.8188 10.8188 10.8300 10.8300 11.3682 11.3682 11.3830 11.3830 13.8398 13.8398 13.8423 13.8423 14.0370 14.0370 k = 0.0222 0.5000-0.0000 ( 4828 PWs) bands (ev): -0.2972 -0.2972 -0.2969 -0.2969 2.0675 2.0675 2.0687 2.0687 4.4261 4.4261 4.4279 4.4279 6.2970 6.2970 6.2981 6.2981 6.6014 6.6014 6.6035 6.6035 7.1774 7.1774 7.1863 7.1863 7.3429 7.3429 7.3522 7.3522 7.7315 7.7315 7.7350 7.7350 8.7331 8.7331 8.7555 8.7555 8.9790 8.9790 8.9817 8.9817 9.2049 9.2049 9.2239 9.2239 10.7631 10.7631 10.7812 10.7812 11.4069 11.4069 11.4324 11.4324 13.8346 13.8346 13.8393 13.8393 14.0219 14.0220 k = 0.0333 0.5000-0.0000 ( 4836 PWs) bands (ev): -0.2945 -0.2945 -0.2940 -0.2940 2.0738 2.0738 2.0755 2.0755 4.4283 4.4283 4.4310 4.4310 6.2980 6.2980 6.2996 6.2996 6.5976 6.5976 6.6008 6.6008 7.1724 7.1724 7.1855 7.1855 7.3374 7.3374 7.3509 7.3509 7.7340 7.7340 7.7390 7.7390 8.7150 8.7150 8.7471 8.7471 8.9774 8.9774 8.9818 8.9818 9.2051 9.2051 9.2315 9.2315 10.6879 10.6879 10.7089 10.7089 11.4640 11.4640 11.4961 11.4961 13.8263 13.8263 13.8322 13.8322 14.0001 14.0001 k = 0.0444 0.5000-0.0000 ( 4840 PWs) bands (ev): -0.2908 -0.2908 -0.2901 -0.2901 2.0827 2.0827 2.0849 2.0849 4.4315 4.4315 4.4351 4.4351 6.2995 6.2995 6.3017 6.3017 6.5926 6.5926 6.5967 6.5967 7.1663 7.1663 7.1835 7.1835 7.3308 7.3308 7.3482 7.3482 7.7377 7.7377 7.7441 7.7441 8.6932 8.6932 8.7336 8.7336 8.9755 8.9755 8.9819 8.9819 9.2067 9.2067 9.2385 9.2385 10.6012 10.6012 10.6223 10.6223 11.5305 11.5305 11.5666 11.5666 13.8142 13.8142 13.8200 13.8200 13.9731 13.9731 k = 0.0556 0.5000-0.0000 ( 4848 PWs) bands (ev): -0.2860 -0.2860 -0.2851 -0.2851 2.0942 2.0942 2.0970 2.0970 4.4356 4.4356 4.4400 4.4400 6.3013 6.3013 6.3041 6.3041 6.5864 6.5864 6.5915 6.5915 7.1592 7.1592 7.1802 7.1802 7.3233 7.3233 7.3440 7.3440 7.7425 7.7425 7.7501 7.7501 8.6687 8.6687 8.7157 8.7157 8.9735 8.9735 8.9821 8.9821 9.2085 9.2085 9.2438 9.2438 10.5079 10.5079 10.5273 10.5273 11.6014 11.6014 11.6400 11.6400 13.7978 13.7978 13.8017 13.8017 13.9420 13.9420 k = 0.0667 0.5000-0.0000 ( 4844 PWs) bands (ev): -0.2801 -0.2801 -0.2790 -0.2790 2.1083 2.1083 2.1117 2.1117 4.4407 4.4407 4.4459 4.4459 6.3036 6.3036 6.3070 6.3070 6.5792 6.5792 6.5852 6.5852 7.1511 7.1511 7.1756 7.1756 7.3150 7.3150 7.3384 7.3384 7.7482 7.7482 7.7568 7.7568 8.6422 8.6422 8.6943 8.6943 8.9715 8.9715 8.9823 8.9823 9.2096 9.2096 9.2462 9.2462 10.4111 10.4111 10.4274 10.4274 11.6737 11.6737 11.7141 11.7141 13.7767 13.7767 13.7771 13.7771 13.9074 13.9075 k = 0.0778 0.5000-0.0000 ( 4832 PWs) bands (ev): -0.2732 -0.2732 -0.2720 -0.2720 2.1250 2.1250 2.1289 2.1289 4.4466 4.4466 4.4525 4.4525 6.3062 6.3062 6.3103 6.3103 6.5711 6.5711 6.5779 6.5779 7.1420 7.1420 7.1697 7.1697 7.3060 7.3060 7.3312 7.3312 7.7548 7.7548 7.7641 7.7641 8.6143 8.6143 8.6702 8.6702 8.9697 8.9697 8.9828 8.9828 9.2083 9.2083 9.2442 9.2442 10.3131 10.3131 10.3253 10.3253 11.7461 11.7461 11.7876 11.7876 13.7472 13.7472 13.7515 13.7515 13.8650 13.8652 k = 0.0889 0.5000-0.0000 ( 4830 PWs) bands (ev): -0.2652 -0.2652 -0.2639 -0.2639 2.1443 2.1443 2.1488 2.1488 4.4533 4.4533 4.4599 4.4599 6.3091 6.3091 6.3138 6.3138 6.5621 6.5621 6.5697 6.5697 7.1321 7.1321 7.1625 7.1625 7.2962 7.2962 7.3223 7.3223 7.7621 7.7621 7.7718 7.7718 8.5857 8.5857 8.6441 8.6441 8.9682 8.9682 8.9834 8.9834 9.2032 9.2032 9.2362 9.2362 10.2163 10.2163 10.2231 10.2231 11.8177 11.8177 11.8599 11.8599 13.7136 13.7136 13.7227 13.7227 13.8188 13.8188 k = 0.1000 0.5000-0.0000 ( 4822 PWs) bands (ev): -0.2563 -0.2563 -0.2548 -0.2548 2.1661 2.1661 2.1712 2.1712 4.4607 4.4607 4.4679 4.4679 6.3122 6.3122 6.3175 6.3175 6.5524 6.5524 6.5608 6.5608 7.1214 7.1214 7.1540 7.1540 7.2858 7.2858 7.3117 7.3117 7.7700 7.7700 7.7797 7.7797 8.5569 8.5569 8.6168 8.6168 8.9669 8.9669 8.9844 8.9844 9.1923 9.1923 9.2205 9.2205 10.1231 10.1231 10.1232 10.1232 11.8877 11.8877 11.9306 11.9306 13.6779 13.6779 13.6913 13.6913 13.7722 13.7722 k = 0.1111 0.5000-0.0000 ( 4828 PWs) bands (ev): -0.2464 -0.2464 -0.2447 -0.2447 2.1906 2.1906 2.1961 2.1961 4.4686 4.4686 4.4763 4.4763 6.3154 6.3154 6.3213 6.3213 6.5420 6.5420 6.5512 6.5512 7.1100 7.1100 7.1443 7.1443 7.2746 7.2746 7.2993 7.2993 7.7783 7.7783 7.7877 7.7877 8.5282 8.5282 8.5887 8.5887 8.9661 8.9661 8.9856 8.9856 9.1737 9.1737 9.1949 9.1949 10.0278 10.0278 10.0359 10.0359 11.9559 11.9559 11.9993 11.9993 13.6415 13.6415 13.6581 13.6581 13.7271 13.7272 k = 0.1222 0.5000-0.0000 ( 4832 PWs) bands (ev): -0.2356 -0.2356 -0.2338 -0.2338 2.2175 2.2175 2.2236 2.2236 4.4770 4.4770 4.4852 4.4852 6.3187 6.3187 6.3252 6.3252 6.5311 6.5311 6.5412 6.5412 7.0982 7.0982 7.1337 7.1337 7.2626 7.2626 7.2851 7.2851 7.7870 7.7870 7.7958 7.7958 8.5001 8.5001 8.5602 8.5602 8.9656 8.9656 8.9872 8.9872 9.1450 9.1450 9.1574 9.1574 9.9399 9.9399 9.9573 9.9573 12.0219 12.0219 12.0657 12.0657 13.6055 13.6055 13.6239 13.6239 13.6852 13.6852 k = 0.1333 0.5000-0.0000 ( 4828 PWs) bands (ev): -0.2239 -0.2239 -0.2219 -0.2219 2.2470 2.2470 2.2536 2.2536 4.4858 4.4858 4.4942 4.4942 6.3219 6.3219 6.3289 6.3289 6.5198 6.5198 6.5309 6.5309 7.0859 7.0859 7.1221 7.1221 7.2498 7.2498 7.2690 7.2690 7.7961 7.7961 7.8039 7.8039 8.4726 8.4726 8.5318 8.5318 8.9649 8.9649 8.9886 8.9886 9.1046 9.1046 9.1068 9.1068 9.8618 9.8618 9.8893 9.8893 12.0854 12.0854 12.1296 12.1296 13.5708 13.5708 13.5899 13.5899 13.6475 13.6481 k = 0.1444 0.5000-0.0000 ( 4826 PWs) bands (ev): -0.2114 -0.2114 -0.2093 -0.2093 2.2790 2.2790 2.2861 2.2861 4.4947 4.4947 4.5034 4.5034 6.3250 6.3250 6.3322 6.3322 6.5082 6.5082 6.5204 6.5204 7.0735 7.0735 7.1096 7.1096 7.2363 7.2363 7.2511 7.2511 7.8054 7.8054 7.8119 7.8119 8.4458 8.4458 8.5034 8.5034 8.9621 8.9621 8.9874 8.9874 9.0454 9.0454 9.0532 9.0532 9.7955 9.7955 9.8327 9.8327 12.1461 12.1461 12.1908 12.1908 13.5381 13.5381 13.5573 13.5573 13.6143 13.6143 k = 0.1556 0.5000-0.0000 ( 4830 PWs) bands (ev): -0.1980 -0.1980 -0.1958 -0.1958 2.3135 2.3135 2.3211 2.3211 4.5038 4.5038 4.5126 4.5126 6.3279 6.3279 6.3352 6.3352 6.4964 6.4964 6.5099 6.5099 7.0609 7.0609 7.0965 7.0965 7.2221 7.2221 7.2315 7.2315 7.8148 7.8148 7.8197 7.8197 8.4197 8.4197 8.4751 8.4751 8.9434 8.9434 8.9502 8.9502 9.0045 9.0045 9.0075 9.0075 9.7413 9.7413 9.7870 9.7870 12.2038 12.2038 12.2490 12.2490 13.5079 13.5079 13.5276 13.5276 13.5857 13.5857 k = 0.1667 0.5000-0.0000 ( 4832 PWs) bands (ev): -0.1839 -0.1839 -0.1816 -0.1816 2.3505 2.3505 2.3585 2.3585 4.5127 4.5127 4.5215 4.5215 6.3303 6.3303 6.3374 6.3374 6.4845 6.4845 6.4996 6.4996 7.0483 7.0483 7.0827 7.0827 7.2074 7.2074 7.2103 7.2103 7.8243 7.8243 7.8274 7.8274 8.3941 8.3941 8.4466 8.4466 8.8654 8.8654 8.8796 8.8796 8.9897 8.9897 9.0072 9.0072 9.6981 9.6981 9.7505 9.7505 12.2583 12.2583 12.3041 12.3041 13.4809 13.4809 13.5021 13.5021 13.5616 13.5616 k = 0.1778 0.5000-0.0000 ( 4820 PWs) bands (ev): -0.1692 -0.1692 -0.1667 -0.1667 2.3899 2.3899 2.3983 2.3983 4.5215 4.5215 4.5302 4.5302 6.3323 6.3323 6.3388 6.3388 6.4725 6.4725 6.4897 6.4897 7.0358 7.0358 7.0683 7.0683 7.1878 7.1878 7.1924 7.1924 7.8338 7.8338 7.8349 7.8349 8.3684 8.3684 8.4172 8.4172 8.7684 8.7684 8.7922 8.7922 8.9904 8.9904 9.0117 9.0117 9.6638 9.6638 9.7210 9.7210 12.3094 12.3094 12.3560 12.3560 13.4573 13.4573 13.4814 13.4814 13.5420 13.5420 k = 0.1889 0.5000-0.0000 ( 4820 PWs) bands (ev): -0.1538 -0.1538 -0.1512 -0.1512 2.4317 2.4317 2.4406 2.4406 4.5299 4.5299 4.5384 4.5384 6.3337 6.3337 6.3391 6.3391 6.4604 6.4604 6.4803 6.4803 7.0235 7.0235 7.0534 7.0534 7.1643 7.1643 7.1774 7.1774 7.8420 7.8420 7.8431 7.8431 8.3418 8.3418 8.3856 8.3856 8.6661 8.6661 8.6970 8.6970 8.9949 8.9949 9.0180 9.0180 9.6360 9.6360 9.6965 9.6965 12.3573 12.3573 12.4048 12.4048 13.4376 13.4376 13.4659 13.4659 13.5271 13.5271 k = 0.2000 0.5000-0.0000 ( 4820 PWs) bands (ev): -0.1378 -0.1378 -0.1352 -0.1352 2.4759 2.4759 2.4851 2.4851 4.5378 4.5378 4.5460 4.5460 6.3343 6.3343 6.3380 6.3380 6.4485 6.4485 6.4714 6.4714 7.0115 7.0115 7.0379 7.0379 7.1402 7.1402 7.1626 7.1626 7.8486 7.8486 7.8519 7.8519 8.3120 8.3120 8.3487 8.3487 8.5633 8.5633 8.6014 8.6014 9.0014 9.0014 9.0254 9.0254 9.6126 9.6126 9.6752 9.6752 12.4022 12.4022 12.4506 12.4506 13.4219 13.4219 13.4554 13.4554 13.5174 13.5174 k = 0.2111 0.5000-0.0000 ( 4832 PWs) bands (ev): -0.1213 -0.1213 -0.1186 -0.1186 2.5224 2.5224 2.5321 2.5321 4.5451 4.5451 4.5528 4.5528 6.3337 6.3337 6.3353 6.3353 6.4367 6.4367 6.4632 6.4632 6.9995 6.9995 7.0218 7.0218 7.1159 7.1159 7.1484 7.1484 7.8545 7.8545 7.8598 7.8598 8.2738 8.2738 8.3007 8.3007 8.4671 8.4671 8.5139 8.5139 9.0094 9.0094 9.0339 9.0339 9.5917 9.5917 9.6556 9.6556 12.4444 12.4444 12.4937 12.4937 13.4102 13.4102 13.4495 13.4495 13.5131 13.5131 k = 0.2222 0.5000-0.0000 ( 4828 PWs) bands (ev): -0.1044 -0.1044 -0.1016 -0.1016 2.5713 2.5713 2.5813 2.5813 4.5516 4.5516 4.5588 4.5588 6.3310 6.3310 6.3318 6.3318 6.4252 6.4252 6.4555 6.4555 6.9877 6.9877 7.0051 7.0051 7.0922 7.0922 7.1353 7.1353 7.8593 7.8593 7.8660 7.8660 8.2177 8.2177 8.2339 8.2339 8.3893 8.3893 8.4443 8.4443 9.0187 9.0187 9.0435 9.0435 9.5724 9.5724 9.6369 9.6369 12.4845 12.4845 12.5347 12.5347 13.4027 13.4027 13.4476 13.4476 13.5147 13.5147 k = 0.2333 0.5000-0.0000 ( 4818 PWs) bands (ev): -0.0871 -0.0871 -0.0843 -0.0843 2.6224 2.6224 2.6327 2.6327 4.5572 4.5572 4.5639 4.5639 6.3248 6.3248 6.3281 6.3281 6.4144 6.4144 6.4482 6.4482 6.9756 6.9756 6.9880 6.9880 7.0698 7.0698 7.1235 7.1235 7.8619 7.8619 7.8686 7.8686 8.1391 8.1391 8.1483 8.1483 8.3373 8.3373 8.3949 8.3949 9.0291 9.0291 9.0539 9.0539 9.5536 9.5536 9.6183 9.6183 12.5231 12.5231 12.5743 12.5743 13.3992 13.3992 13.4489 13.4489 13.5220 13.5220 k = 0.2444 0.5000-0.0000 ( 4826 PWs) bands (ev): -0.0695 -0.0695 -0.0666 -0.0666 2.6757 2.6757 2.6863 2.6863 4.5620 4.5620 4.5679 4.5679 6.3167 6.3167 6.3218 6.3218 6.4044 6.4044 6.4410 6.4410 6.9626 6.9626 6.9704 6.9704 7.0497 7.0497 7.1132 7.1132 7.8593 7.8593 7.8619 7.8619 8.0527 8.0527 8.0545 8.0545 8.3029 8.3029 8.3591 8.3591 9.0406 9.0406 9.0653 9.0653 9.5347 9.5347 9.5994 9.5994 12.5610 12.5610 12.6130 12.6130 13.3997 13.3997 13.4535 13.4535 13.5344 13.5344 k = 0.2556 0.5000-0.0000 ( 4830 PWs) bands (ev): -0.0517 -0.0517 -0.0488 -0.0488 2.7312 2.7312 2.7421 2.7421 4.5656 4.5656 4.5708 4.5708 6.3065 6.3065 6.3123 6.3123 6.3957 6.3957 6.4336 6.4336 6.9483 6.9483 6.9526 6.9526 7.0329 7.0329 7.1046 7.1046 7.8292 7.8292 7.8398 7.8398 7.9715 7.9715 7.9854 7.9854 8.2767 8.2767 8.3307 8.3307 9.0531 9.0531 9.0775 9.0775 9.5156 9.5156 9.5798 9.5798 12.5989 12.5989 12.6518 12.6518 13.4042 13.4042 13.4611 13.4611 13.5510 13.5510 k = 0.2667 0.5000-0.0000 ( 4826 PWs) bands (ev): -0.0338 -0.0338 -0.0309 -0.0309 2.7888 2.7888 2.8000 2.8000 4.5683 4.5683 4.5726 4.5726 6.2938 6.2938 6.2988 6.2988 6.3887 6.3887 6.4258 6.4258 6.9322 6.9322 6.9346 6.9346 7.0203 7.0203 7.0979 7.0979 7.7564 7.7564 7.7783 7.7783 7.9284 7.9284 7.9564 7.9564 8.2544 8.2544 8.3062 8.3062 9.0663 9.0663 9.0904 9.0904 9.4959 9.4959 9.5595 9.5595 12.6375 12.6375 12.6912 12.6912 13.4126 13.4126 13.4721 13.4721 13.5709 13.5709 k = 0.2778 0.5000-0.0000 ( 4828 PWs) bands (ev): -0.0158 -0.0158 -0.0129 -0.0129 2.8484 2.8484 2.8599 2.8599 4.5698 4.5698 4.5732 4.5732 6.2782 6.2782 6.2809 6.2809 6.3831 6.3831 6.4175 6.4175 6.9145 6.9145 6.9167 6.9167 7.0121 7.0121 7.0931 7.0931 7.6624 7.6624 7.6861 7.6861 7.9167 7.9167 7.9493 7.9493 8.2340 8.2340 8.2840 8.2840 9.0803 9.0803 9.1039 9.1039 9.4758 9.4758 9.5384 9.5384 12.6774 12.6774 12.7318 12.7318 13.4249 13.4249 13.4863 13.4864 13.5931 13.5932 k = 0.2889 0.5000-0.0000 ( 4824 PWs) bands (ev): 0.0022 0.0022 0.0050 0.0050 2.9101 2.9101 2.9217 2.9217 4.5702 4.5702 4.5728 4.5728 6.2583 6.2583 6.2589 6.2589 6.3788 6.3788 6.4086 6.4086 6.8961 6.8961 6.8990 6.8990 7.0079 7.0079 7.0902 7.0902 7.5640 7.5640 7.5871 7.5871 7.9139 7.9139 7.9492 7.9492 8.2149 8.2149 8.2633 8.2633 9.0948 9.0948 9.1179 9.1179 9.4551 9.4551 9.5167 9.5167 12.7189 12.7189 12.7741 12.7741 13.4409 13.4409 13.5040 13.5040 13.6169 13.6172 k = 0.3000 0.5000-0.0000 ( 4824 PWs) bands (ev): 0.0200 0.0200 0.0228 0.0228 2.9736 2.9736 2.9853 2.9853 4.5696 4.5696 4.5713 4.5713 6.2308 6.2308 6.2351 6.2351 6.3752 6.3752 6.3993 6.3993 6.8776 6.8776 6.8817 6.8817 7.0073 7.0073 7.0890 7.0890 7.4672 7.4672 7.4896 7.4896 7.9132 7.9132 7.9510 7.9510 8.1965 8.1965 8.2435 8.2435 9.1097 9.1097 9.1322 9.1322 9.4343 9.4343 9.4944 9.4944 12.7625 12.7625 12.8183 12.8183 13.4606 13.4606 13.5249 13.5249 13.6416 13.6418 k = 0.3111 0.5000-0.0000 ( 4816 PWs) bands (ev): 0.0375 0.0375 0.0403 0.0403 3.0389 3.0389 3.0507 3.0507 4.5679 4.5679 4.5688 4.5688 6.1980 6.1980 6.2055 6.2055 6.3723 6.3723 6.3899 6.3899 6.8597 6.8597 6.8648 6.8648 7.0097 7.0097 7.0896 7.0896 7.3749 7.3749 7.3968 7.3968 7.9128 7.9128 7.9530 7.9530 8.1787 8.1787 8.2245 8.2245 9.1249 9.1249 9.1467 9.1467 9.4133 9.4133 9.4717 9.4717 12.8080 12.8080 12.8646 12.8646 13.4839 13.4839 13.5488 13.5488 13.6671 13.6677 k = 0.3222 0.5000-0.0000 ( 4820 PWs) bands (ev): 0.0548 0.0548 0.0575 0.0575 3.1058 3.1058 3.1178 3.1178 4.5654 4.5654 4.5654 4.5654 6.1593 6.1593 6.1693 6.1693 6.3695 6.3695 6.3809 6.3809 6.8428 6.8428 6.8484 6.8484 7.0149 7.0149 7.0912 7.0912 7.2888 7.2888 7.3110 7.3110 7.9119 7.9119 7.9543 7.9543 8.1615 8.1615 8.2062 8.2062 9.1400 9.1400 9.1612 9.1612 9.3927 9.3927 9.4490 9.4490 12.8556 12.8556 12.9127 12.9127 13.5103 13.5103 13.5753 13.5753 13.6915 13.6917 k = 0.3333 0.5000-0.0000 ( 4812 PWs) bands (ev): 0.0716 0.0716 0.0743 0.0743 3.1743 3.1743 3.1863 3.1863 4.5612 4.5612 4.5621 4.5621 6.1145 6.1145 6.1257 6.1257 6.3669 6.3669 6.3724 6.3724 6.8273 6.8273 6.8326 6.8326 7.0225 7.0225 7.0924 7.0924 7.2100 7.2100 7.2350 7.2350 7.9101 7.9101 7.9545 7.9545 8.1450 8.1450 8.1884 8.1884 9.1550 9.1550 9.1755 9.1755 9.3725 9.3725 9.4265 9.4265 12.9048 12.9048 12.9625 12.9625 13.5397 13.5397 13.6037 13.6037 13.7146 13.7147 k = 0.3444 0.5000-0.0000 ( 4808 PWs) bands (ev): 0.0879 0.0879 0.0905 0.0905 3.2442 3.2442 3.2561 3.2561 4.5565 4.5565 4.5581 4.5581 6.0632 6.0632 6.0743 6.0743 6.3642 6.3642 6.3646 6.3646 6.8132 6.8132 6.8173 6.8173 7.0322 7.0322 7.0873 7.0873 7.1396 7.1396 7.1755 7.1755 7.9070 7.9070 7.9532 7.9532 8.1293 8.1293 8.1713 8.1713 9.1695 9.1695 9.1894 9.1894 9.3534 9.3534 9.4045 9.4045 12.9553 12.9553 13.0134 13.0134 13.5712 13.5712 13.6331 13.6331 13.7391 13.7391 k = 0.3556 0.5000-0.0000 ( 4804 PWs) bands (ev): 0.1036 0.1036 0.1061 0.1061 3.3152 3.3152 3.3270 3.3270 4.5513 4.5513 4.5536 4.5536 6.0055 6.0055 6.0154 6.0154 6.3576 6.3576 6.3615 6.3615 6.8004 6.8004 6.8025 6.8025 7.0416 7.0416 7.0609 7.0609 7.0798 7.0798 7.1478 7.1478 7.9026 7.9026 7.9499 7.9499 8.1145 8.1145 8.1549 8.1549 9.1831 9.1831 9.2027 9.2027 9.3356 9.3356 9.3835 9.3835 13.0066 13.0066 13.0648 13.0648 13.6041 13.6041 13.6621 13.6621 13.7660 13.7660 k = 0.3667 0.5000-0.0000 ( 4812 PWs) bands (ev): 0.1187 0.1187 0.1210 0.1210 3.3871 3.3871 3.3987 3.3987 4.5458 4.5458 4.5488 4.5488 5.9417 5.9417 5.9496 5.9496 6.3514 6.3514 6.3585 6.3585 6.7882 6.7882 6.7890 6.7890 7.0168 7.0168 7.0182 7.0182 7.0644 7.0644 7.1469 7.1469 7.8966 7.8966 7.9444 7.9444 8.1011 8.1011 8.1394 8.1394 9.1954 9.1954 9.2148 9.2148 9.3199 9.3199 9.3638 9.3638 13.0578 13.0578 13.1157 13.1157 13.6370 13.6370 13.6898 13.6898 13.7970 13.7970 k = 0.3778 0.5000-0.0000 ( 4816 PWs) bands (ev): 0.1329 0.1329 0.1351 0.1351 3.4595 3.4595 3.4709 3.4709 4.5403 4.5403 4.5440 4.5440 5.8726 5.8726 5.8780 5.8780 6.3460 6.3460 6.3554 6.3554 6.7745 6.7745 6.7789 6.7789 6.9718 6.9718 6.9763 6.9763 7.0787 7.0787 7.1553 7.1553 7.8890 7.8890 7.9365 7.9365 8.0892 8.0892 8.1249 8.1249 9.2055 9.2055 9.2254 9.2254 9.3071 9.3071 9.3462 9.3462 13.1083 13.1083 13.1653 13.1653 13.6691 13.6691 13.7160 13.7160 13.8336 13.8336 k = 0.3889 0.5000-0.0000 ( 4816 PWs) bands (ev): 0.1462 0.1462 0.1483 0.1483 3.5322 3.5322 3.5432 3.5432 4.5350 4.5350 4.5392 4.5392 5.7991 5.7991 5.8021 5.8021 6.3412 6.3412 6.3522 6.3522 6.7616 6.7616 6.7698 6.7698 6.9323 6.9323 6.9398 6.9398 7.0960 7.0960 7.1673 7.1673 7.8797 7.8797 7.9261 7.9261 8.0792 8.0792 8.1116 8.1116 9.2123 9.2123 9.2336 9.2336 9.2982 9.2982 9.3314 9.3314 13.1569 13.1569 13.2122 13.2122 13.6997 13.6997 13.7409 13.7409 13.8768 13.8768 k = 0.4000 0.5000-0.0000 ( 4828 PWs) bands (ev): 0.1586 0.1586 0.1605 0.1605 3.6044 3.6044 3.6150 3.6150 4.5302 4.5302 4.5348 4.5348 5.7226 5.7226 5.7232 5.7232 6.3371 6.3371 6.3489 6.3489 6.7496 6.7496 6.7615 6.7615 6.8990 6.8990 6.9094 6.9094 7.1149 7.1149 7.1810 7.1810 7.8690 7.8690 7.9134 7.9134 8.0708 8.0708 8.0996 8.0996 9.2150 9.2150 9.2383 9.2383 9.2943 9.2943 9.3207 9.3207 13.2027 13.2027 13.2555 13.2555 13.7292 13.7292 13.7655 13.7655 13.9265 13.9265 k = 0.4111 0.5000-0.0000 ( 4824 PWs) bands (ev): 0.1700 0.1700 0.1717 0.1717 3.6757 3.6757 3.6857 3.6857 4.5260 4.5260 4.5311 4.5311 5.6430 5.6430 5.6445 5.6445 6.3336 6.3336 6.3455 6.3455 6.7387 6.7387 6.7538 6.7538 6.8715 6.8715 6.8844 6.8844 7.1347 7.1347 7.1956 7.1956 7.8570 7.8570 7.8988 7.8988 8.0642 8.0642 8.0891 8.0891 9.2136 9.2136 9.2383 9.2383 9.2951 9.2951 9.3151 9.3151 13.2448 13.2448 13.2939 13.2939 13.7585 13.7585 13.7906 13.7906 13.9815 13.9815 k = 0.4222 0.5000-0.0000 ( 4816 PWs) bands (ev): 0.1802 0.1802 0.1817 0.1817 3.7450 3.7450 3.7542 3.7542 4.5227 4.5227 4.5281 4.5281 5.5633 5.5633 5.5665 5.5665 6.3307 6.3307 6.3422 6.3422 6.7292 6.7292 6.7466 6.7466 6.8493 6.8493 6.8640 6.8640 7.1550 7.1550 7.2104 7.2104 7.8443 7.8443 7.8827 7.8827 8.0591 8.0591 8.0800 8.0800 9.2095 9.2095 9.2341 9.2341 9.2993 9.2993 9.3142 9.3142 13.2824 13.2824 13.3267 13.3267 13.7885 13.7885 13.8167 13.8167 14.0402 14.0402 k = 0.4333 0.5000-0.0000 ( 4814 PWs) bands (ev): 0.1892 0.1892 0.1905 0.1905 3.8112 3.8112 3.8195 3.8195 4.5207 4.5207 4.5263 4.5263 5.4858 5.4858 5.4903 5.4903 6.3283 6.3283 6.3390 6.3390 6.7211 6.7211 6.7396 6.7396 6.8319 6.8319 6.8475 6.8475 7.1752 7.1752 7.2248 7.2248 7.8313 7.8313 7.8660 7.8660 8.0552 8.0552 8.0723 8.0723 9.2044 9.2044 9.2271 9.2271 9.3051 9.3051 9.3165 9.3165 13.3149 13.3149 13.3536 13.3536 13.8194 13.8194 13.8438 13.8438 14.1005 14.1005 k = 0.4444 0.5000-0.0000 ( 4828 PWs) bands (ev): 0.1969 0.1969 0.1981 0.1981 3.8728 3.8728 3.8801 3.8801 4.5200 4.5200 4.5258 4.5258 5.4127 5.4127 5.4180 5.4180 6.3265 6.3265 6.3359 6.3359 6.7146 6.7146 6.7327 6.7327 6.8188 6.8188 6.8341 6.8341 7.1949 7.1949 7.2380 7.2380 7.8188 7.8188 7.8491 7.8491 8.0523 8.0523 8.0659 8.0659 9.1995 9.1995 9.2193 9.2193 9.3113 9.3113 9.3200 9.3200 13.3420 13.3420 13.3746 13.3746 13.8508 13.8508 13.8714 13.8714 14.1596 14.1596 k = 0.4556 0.5000-0.0000 ( 4832 PWs) bands (ev): 0.2034 0.2034 0.2043 0.2043 3.9281 3.9281 3.9340 3.9340 4.5210 4.5210 4.5265 4.5265 5.3464 5.3464 5.3519 5.3519 6.3252 6.3252 6.3331 6.3331 6.7099 6.7099 6.7261 6.7261 6.8095 6.8095 6.8233 6.8233 7.2134 7.2134 7.2493 7.2493 7.8077 7.8077 7.8331 7.8331 8.0502 8.0502 8.0607 8.0607 9.1954 9.1954 9.2117 9.2117 9.3170 9.3170 9.3237 9.3237 13.3640 13.3640 13.3901 13.3901 13.8814 13.8814 13.8982 13.8982 14.2145 14.2145 k = 0.4667 0.5000-0.0000 ( 4828 PWs) bands (ev): 0.2085 0.2085 0.2092 0.2092 3.9747 3.9747 3.9792 3.9792 4.5234 4.5234 4.5283 4.5283 5.2898 5.2898 5.2949 5.2949 6.3245 6.3245 6.3305 6.3305 6.7068 6.7068 6.7199 6.7199 6.8035 6.8035 6.8148 6.8148 7.2300 7.2300 7.2580 7.2580 7.7987 7.7987 7.8187 7.8187 8.0490 8.0490 8.0565 8.0565 9.1925 9.1925 9.2049 9.2049 9.3220 9.3220 9.3269 9.3269 13.3811 13.3811 13.4005 13.4005 13.9095 13.9095 13.9224 13.9224 14.2615 14.2615 k = 0.4778 0.5000-0.0000 ( 4828 PWs) bands (ev): 0.2122 0.2122 0.2126 0.2126 4.0104 4.0104 4.0134 4.0134 4.5266 4.5266 4.5304 4.5304 5.2461 5.2461 5.2501 5.2501 6.3243 6.3243 6.3284 6.3284 6.7053 6.7053 6.7146 6.7146 6.8003 6.8003 6.8082 6.8082 7.2440 7.2440 7.2633 7.2633 7.7927 7.7927 7.8065 7.8065 8.0484 8.0484 8.0533 8.0533 9.1909 9.1909 9.1993 9.1993 9.3259 9.3259 9.3291 9.3291 13.3938 13.3938 13.4067 13.4067 13.9327 13.9327 13.9416 13.9416 14.2975 14.2975 k = 0.4889 0.5000-0.0000 ( 4820 PWs) bands (ev): 0.2145 0.2145 0.2147 0.2147 4.0331 4.0331 4.0346 4.0346 4.5298 4.5298 4.5319 4.5319 5.2187 5.2187 5.2209 5.2209 6.3246 6.3246 6.3267 6.3267 6.7055 6.7055 6.7103 6.7103 6.7994 6.7994 6.8034 6.8034 7.2548 7.2548 7.2646 7.2646 7.7904 7.7904 7.7975 7.7975 8.0486 8.0486 8.0510 8.0510 9.1908 9.1908 9.1950 9.1950 9.3286 9.3286 9.3302 9.3302 13.4025 13.4025 13.4089 13.4089 13.9489 13.9489 13.9534 13.9534 14.3205 14.3209 k = 0.5000 0.5000-0.0000 ( 4828 PWs) bands (ev): 0.2153 0.2153 0.2153 0.2153 4.0413 4.0413 4.0413 4.0413 4.5318 4.5318 4.5318 4.5318 5.2100 5.2100 5.2100 5.2100 6.3254 6.3254 6.3254 6.3254 6.7072 6.7072 6.7072 6.7072 6.8004 6.8004 6.8004 6.8004 7.2618 7.2618 7.2618 7.2618 7.7920 7.7920 7.7920 7.7920 8.0494 8.0494 8.0494 8.0494 9.1921 9.1921 9.1921 9.1921 9.3301 9.3301 9.3301 9.3301 13.4074 13.4074 13.4074 13.4074 13.9560 13.9560 13.9560 13.9560 14.3301 14.3301 k = 0.5000 0.5000-0.0000 ( 4828 PWs) bands (ev): 0.2153 0.2153 0.2153 0.2153 4.0413 4.0413 4.0413 4.0413 4.5318 4.5318 4.5318 4.5318 5.2100 5.2100 5.2100 5.2100 6.3254 6.3254 6.3254 6.3254 6.7072 6.7072 6.7072 6.7072 6.8004 6.8004 6.8004 6.8004 7.2618 7.2618 7.2618 7.2618 7.7920 7.7920 7.7920 7.7920 8.0494 8.0494 8.0494 8.0494 9.1921 9.1921 9.1921 9.1921 9.3301 9.3301 9.3301 9.3301 13.4074 13.4074 13.4074 13.4074 13.9560 13.9560 13.9560 13.9560 14.3301 14.3301 k = 0.4921 0.4921-0.0000 ( 4826 PWs) bands (ev): 0.2140 0.2140 0.2151 0.2151 4.0248 4.0248 4.0427 4.0427 4.5286 4.5286 4.5332 4.5332 5.2103 5.2103 5.2295 5.2295 6.3245 6.3245 6.3267 6.3267 6.7055 6.7055 6.7103 6.7103 6.7993 6.7993 6.8035 6.8035 7.2544 7.2544 7.2650 7.2650 7.7899 7.7899 7.7980 7.7980 8.0485 8.0485 8.0511 8.0511 9.1906 9.1906 9.1952 9.1952 9.3281 9.3281 9.3307 9.3307 13.4023 13.4023 13.4090 13.4090 13.9455 13.9455 13.9567 13.9567 14.3196 14.3196 k = 0.4841 0.4841-0.0000 ( 4836 PWs) bands (ev): 0.2101 0.2101 0.2146 0.2146 3.9773 3.9773 4.0468 4.0468 4.5215 4.5215 4.5367 4.5367 5.2113 5.2113 5.2837 5.2837 6.3238 6.3238 6.3289 6.3289 6.7052 6.7052 6.7148 6.7148 6.8000 6.8000 6.8086 6.8086 7.2413 7.2413 7.2657 7.2657 7.7897 7.7897 7.8098 7.8098 8.0479 8.0479 8.0539 8.0539 9.1897 9.1897 9.2006 9.2006 9.3231 9.3231 9.3319 9.3319 13.3924 13.3924 13.4074 13.4074 13.9185 13.9185 13.9575 13.9575 14.2933 14.2933 k = 0.4762 0.4762-0.0000 ( 4840 PWs) bands (ev): 0.2036 0.2036 0.2137 0.2137 3.9045 3.9045 4.0536 4.0536 4.5134 4.5134 4.5424 4.5424 5.2131 5.2131 5.3638 5.3638 6.3231 6.3231 6.3318 6.3318 6.7064 6.7064 6.7206 6.7206 6.8025 6.8025 6.8162 6.8162 7.2226 7.2226 7.2651 7.2651 7.7901 7.7901 7.8275 7.8275 8.0474 8.0474 8.0580 8.0580 9.1889 9.1889 9.2087 9.2087 9.3151 9.3151 9.3338 9.3338 13.3767 13.3767 13.4027 13.4027 13.8816 13.8816 13.9587 13.9587 14.2529 14.2529 k = 0.4683 0.4683-0.0000 ( 4836 PWs) bands (ev): 0.1946 0.1946 0.2124 0.2124 3.8130 3.8130 4.0630 4.0630 4.5064 4.5064 4.5504 4.5504 5.2157 5.2157 5.4604 5.4604 6.3222 6.3222 6.3355 6.3355 6.7091 6.7091 6.7275 6.7275 6.8070 6.8070 6.8271 6.8271 7.1992 7.1992 7.2635 7.2635 7.7910 7.7910 7.8500 7.8500 8.0469 8.0469 8.0637 8.0637 9.1879 9.1879 9.2196 9.2196 9.3046 9.3046 9.3365 9.3365 13.3535 13.3535 13.3943 13.3943 13.8422 13.8422 13.9604 13.9604 14.2010 14.2010 k = 0.4603 0.4603-0.0000 ( 4824 PWs) bands (ev): 0.1829 0.1829 0.2106 0.2106 3.7087 3.7087 4.0752 4.0752 4.5010 4.5010 4.5607 4.5607 5.2193 5.2193 5.5661 5.5661 6.3211 6.3211 6.3397 6.3397 6.7133 6.7133 6.7352 6.7352 6.8134 6.8134 6.8424 6.8424 7.1723 7.1723 7.2610 7.2610 7.7924 7.7924 7.8758 7.8758 8.0463 8.0463 8.0709 8.0709 9.1867 9.1867 9.2331 9.2331 9.2923 9.2923 9.3400 9.3400 13.3219 13.3219 13.3816 13.3816 13.8061 13.8061 13.9625 13.9625 14.1401 14.1401 k = 0.4524 0.4524-0.0000 ( 4820 PWs) bands (ev): 0.1686 0.1686 0.2084 0.2084 3.5961 3.5961 4.0901 4.0901 4.4973 4.4973 4.5733 4.5733 5.2239 5.2239 5.6753 5.6753 6.3198 6.3198 6.3439 6.3439 6.7190 6.7190 6.7436 6.7436 6.8214 6.8214 6.8637 6.8637 7.1435 7.1435 7.2576 7.2576 7.7941 7.7941 7.9036 7.9036 8.0458 8.0458 8.0795 8.0795 9.1850 9.1850 9.2483 9.2483 9.2793 9.2793 9.3444 9.3444 13.2815 13.2815 13.3634 13.3634 13.7768 13.7768 13.9631 13.9631 14.0732 14.0732 k = 0.4444 0.4444-0.0000 ( 4818 PWs) bands (ev): 0.1518 0.1518 0.2058 0.2058 3.4782 3.4782 4.1076 4.1076 4.4951 4.4951 4.5881 4.5881 5.2296 5.2296 5.7832 5.7832 6.3183 6.3183 6.3477 6.3477 6.7263 6.7263 6.7523 6.7523 6.8312 6.8312 6.8927 6.8927 7.1141 7.1141 7.2532 7.2532 7.7961 7.7961 7.9321 7.9321 8.0452 8.0452 8.0896 8.0896 9.1827 9.1827 9.2593 9.2593 9.2724 9.2724 9.3497 9.3497 13.2334 13.2334 13.3387 13.3387 13.7557 13.7557 13.9492 13.9492 14.0154 14.0154 k = 0.4365 0.4365-0.0000 ( 4806 PWs) bands (ev): 0.1323 0.1323 0.2025 0.2025 3.3571 3.3571 4.1279 4.1279 4.4943 4.4943 4.6052 4.6052 5.2367 5.2367 5.8853 5.8853 6.3166 6.3166 6.3505 6.3505 6.7354 6.7354 6.7613 6.7613 6.8424 6.8424 6.9313 6.9313 7.0861 7.0861 7.2478 7.2478 7.7986 7.7986 7.9603 7.9603 8.0449 8.0449 8.1011 8.1011 9.1798 9.1798 9.2504 9.2504 9.2877 9.2877 9.3561 9.3561 13.1796 13.1796 13.3067 13.3067 13.7421 13.7421 13.8912 13.8912 13.9568 13.9568 k = 0.4286 0.4286-0.0000 ( 4786 PWs) bands (ev): 0.1103 0.1103 0.1987 0.1987 3.2344 3.2344 4.1508 4.1508 4.4950 4.4950 4.6245 4.6245 5.2453 5.2453 5.9778 5.9778 6.3147 6.3147 6.3516 6.3516 6.7461 6.7461 6.7704 6.7704 6.8552 6.8552 6.9783 6.9783 7.0643 7.0643 7.2413 7.2413 7.8015 7.8015 7.9867 7.9867 8.0453 8.0453 8.1138 8.1138 9.1759 9.1759 9.2403 9.2403 9.3070 9.3070 9.3638 9.3638 13.1227 13.1227 13.2667 13.2667 13.7339 13.7339 13.8171 13.8171 13.8851 13.8851 k = 0.4206 0.4206-0.0000 ( 4804 PWs) bands (ev): 0.0857 0.0857 0.1943 0.1943 3.1110 3.1110 4.1764 4.1764 4.4973 4.4973 4.6460 4.6460 5.2555 5.2555 6.0573 6.0573 6.3126 6.3126 6.3503 6.3503 6.7586 6.7586 6.7795 6.7795 6.8693 6.8693 7.0081 7.0081 7.0769 7.0769 7.2343 7.2343 7.8049 7.8049 8.0089 8.0089 8.0478 8.0478 8.1275 8.1275 9.1715 9.1715 9.2328 9.2328 9.3264 9.3264 9.3731 9.3731 13.0650 13.0650 13.2186 13.2186 13.7163 13.7163 13.7570 13.7570 13.8131 13.8131 k = 0.4127 0.4127-0.0000 ( 4806 PWs) bands (ev): 0.0586 0.0586 0.1891 0.1891 2.9877 2.9877 4.2046 4.2046 4.5012 4.5012 4.6697 4.6697 5.2675 5.2675 6.1217 6.1217 6.3104 6.3104 6.3458 6.3458 6.7725 6.7725 6.7882 6.7882 6.8849 6.8849 6.9992 6.9992 7.1458 7.1458 7.2293 7.2293 7.8086 7.8086 8.0230 8.0230 8.0559 8.0559 8.1420 8.1420 9.1672 9.1672 9.2287 9.2287 9.3449 9.3449 9.3843 9.3843 13.0084 13.0084 13.1625 13.1625 13.6559 13.6559 13.7351 13.7351 13.7536 13.7536 k = 0.4048 0.4048-0.0000 ( 4810 PWs) bands (ev): 0.0290 0.0290 0.1832 0.1832 2.8650 2.8650 4.2355 4.2355 4.5068 4.5068 4.6956 4.6956 5.2815 5.2815 6.1703 6.1703 6.3080 6.3080 6.3374 6.3374 6.7869 6.7869 6.7967 6.7967 6.9023 6.9023 6.9872 6.9872 7.1978 7.1978 7.2649 7.2649 7.8127 7.8127 8.0280 8.0280 8.0700 8.0700 8.1572 8.1572 9.1640 9.1640 9.2281 9.2281 9.3617 9.3617 9.3974 9.3974 12.9544 12.9544 13.0990 13.0990 13.5895 13.5895 13.6659 13.6659 13.7566 13.7566 k = 0.3968 0.3968-0.0000 ( 4810 PWs) bands (ev): -0.0031 -0.0031 0.1765 0.1765 2.7432 2.7432 4.2690 4.2690 4.5144 4.5144 4.7235 4.7235 5.2976 5.2976 6.2039 6.2039 6.3055 6.3055 6.3247 6.3247 6.7971 6.7971 6.8092 6.8092 6.9214 6.9214 6.9808 6.9808 7.1938 7.1938 7.3714 7.3714 7.8175 7.8175 8.0288 8.0288 8.0847 8.0847 8.1727 8.1727 9.1625 9.1625 9.2315 9.2315 9.3769 9.3769 9.4121 9.4121 12.9036 12.9036 13.0287 13.0287 13.5283 13.5283 13.5939 13.5939 13.7675 13.7675 k = 0.3889 0.3889-0.0000 ( 4818 PWs) bands (ev): -0.0375 -0.0375 0.1689 0.1689 2.6228 2.6228 4.3052 4.3052 4.5240 4.5240 4.7536 4.7536 5.3160 5.3160 6.2243 6.2243 6.3024 6.3024 6.3081 6.3081 6.8016 6.8016 6.8267 6.8267 6.9423 6.9423 6.9813 6.9813 7.1823 7.1823 7.4968 7.4968 7.8227 7.8227 8.0283 8.0283 8.0969 8.0969 8.1884 8.1884 9.1625 9.1625 9.2396 9.2396 9.3912 9.3912 9.4270 9.4270 12.8561 12.8561 12.9532 12.9532 13.4737 13.4737 13.5230 13.5230 13.7820 13.7820 k = 0.3810 0.3810-0.0000 ( 4816 PWs) bands (ev): -0.0743 -0.0743 0.1603 0.1603 2.5039 2.5039 4.3439 4.3439 4.5356 4.5356 4.7858 4.7858 5.3369 5.3369 6.2329 6.2329 6.2858 6.2858 6.3009 6.3009 6.8039 6.8039 6.8462 6.8462 6.9651 6.9651 6.9884 6.9884 7.1691 7.1691 7.6326 7.6326 7.8285 7.8285 8.0271 8.0271 8.1053 8.1053 8.2046 8.2046 9.1635 9.1635 9.2538 9.2538 9.4054 9.4054 9.4414 9.4414 12.8097 12.8097 12.8752 12.8752 13.4230 13.4230 13.4578 13.4578 13.7993 13.7993 k = 0.3730 0.3730-0.0000 ( 4824 PWs) bands (ev): -0.1133 -0.1133 0.1508 0.1508 2.3868 2.3868 4.3853 4.3853 4.5494 4.5494 4.8201 4.8201 5.3604 5.3604 6.2295 6.2295 6.2632 6.2632 6.2980 6.2980 6.8056 6.8056 6.8669 6.8669 6.9886 6.9886 7.0018 7.0018 7.1554 7.1554 7.7752 7.7752 7.8351 7.8351 8.0257 8.0257 8.1096 8.1096 8.2215 8.2215 9.1646 9.1646 9.2749 9.2749 9.4200 9.4200 9.4545 9.4545 12.7541 12.7541 12.8058 12.8058 13.3632 13.3632 13.4128 13.4128 13.8193 13.8193 k = 0.3651 0.3651-0.0000 ( 4828 PWs) bands (ev): -0.1544 -0.1544 0.1403 0.1403 2.2716 2.2716 4.4292 4.4292 4.5653 4.5653 4.8563 4.8563 5.3865 5.3865 6.2107 6.2107 6.2446 6.2446 6.2947 6.2947 6.8074 6.8074 6.8884 6.8884 7.0086 7.0086 7.0234 7.0234 7.1424 7.1424 7.8406 7.8406 7.9237 7.9237 8.0245 8.0245 8.1098 8.1098 8.2391 8.2391 9.1654 9.1654 9.3035 9.3035 9.4355 9.4355 9.4666 9.4666 12.6755 12.6755 12.7587 12.7587 13.2942 13.2942 13.3895 13.3895 13.8417 13.8417 k = 0.3571 0.3571-0.0000 ( 4835 PWs) bands (ev): -0.1976 -0.1976 0.1286 0.1286 2.1584 2.1584 4.4756 4.4756 4.5834 4.5834 4.8946 4.8946 5.4155 5.4155 6.1794 6.1794 6.2294 6.2294 6.2909 6.2909 6.8100 6.8100 6.9104 6.9104 7.0247 7.0247 7.0508 7.0508 7.1325 7.1325 7.8480 7.8480 8.0205 8.0205 8.0733 8.0733 8.1090 8.1090 8.2576 8.2576 9.1656 9.1656 9.3391 9.3391 9.4522 9.4522 9.4780 9.4780 12.5848 12.5848 12.7230 12.7230 13.2228 13.2228 13.3821 13.3821 13.8666 13.8666 k = 0.3492 0.3492-0.0000 ( 4829 PWs) bands (ev): -0.2427 -0.2427 0.1159 0.1159 2.0474 2.0474 4.5246 4.5246 4.6036 4.6036 4.9348 4.9348 5.4473 5.4473 6.1421 6.1421 6.2122 6.2122 6.2867 6.2867 6.8134 6.8134 6.9322 6.9322 7.0367 7.0367 7.0790 7.0790 7.1308 7.1308 7.8557 7.8557 8.0199 8.0199 8.0978 8.0978 8.2271 8.2271 8.2768 8.2768 9.1653 9.1653 9.3811 9.3811 9.4704 9.4704 9.4902 9.4902 12.4896 12.4896 12.6911 12.6911 13.1508 13.1508 13.3895 13.3895 13.8939 13.8939 k = 0.3413 0.3413-0.0000 ( 4827 PWs) bands (ev): -0.2896 -0.2896 0.1020 0.1020 1.9386 1.9386 4.5759 4.5759 4.6259 4.6259 4.9769 4.9769 5.4821 5.4821 6.1016 6.1016 6.1918 6.1918 6.2822 6.2822 6.8175 6.8175 6.9522 6.9522 7.0420 7.0420 7.1045 7.1045 7.1442 7.1442 7.8637 7.8637 8.0183 8.0183 8.0894 8.0894 8.2961 8.2961 8.3750 8.3750 9.1647 9.1647 9.4276 9.4276 9.4920 9.4920 9.5046 9.5046 12.3919 12.3919 12.6613 12.6613 13.0785 13.0785 13.4114 13.4114 13.9239 13.9239 k = 0.3333 0.3333-0.0000 ( 4837 PWs) bands (ev): -0.3381 -0.3381 0.0869 0.0869 1.8322 1.8322 4.6291 4.6291 4.6507 4.6507 5.0209 5.0209 5.5199 5.5199 6.0591 6.0591 6.1682 6.1682 6.2776 6.2776 6.8219 6.8219 6.9666 6.9666 7.0442 7.0442 7.1280 7.1280 7.1717 7.1717 7.8720 7.8720 8.0167 8.0167 8.0794 8.0794 8.3161 8.3161 8.5170 8.5170 9.1638 9.1638 9.4744 9.4744 9.5205 9.5205 9.5241 9.5241 12.2927 12.2927 12.6329 12.6329 13.0059 13.0059 13.4473 13.4473 13.9566 13.9566 k = 0.3254 0.3254-0.0000 ( 4833 PWs) bands (ev): -0.3882 -0.3882 0.0707 0.0707 1.7282 1.7282 4.6728 4.6728 4.6890 4.6890 5.0668 5.0668 5.5606 5.5606 6.0154 6.0154 6.1415 6.1415 6.2728 6.2728 6.8265 6.8265 6.9698 6.9698 7.0528 7.0528 7.1529 7.1529 7.2059 7.2059 7.8805 7.8805 8.0151 8.0151 8.0689 8.0689 8.3364 8.3364 8.6489 8.6489 9.1629 9.1629 9.5169 9.5169 9.5443 9.5443 9.5690 9.5690 12.1929 12.1929 12.6059 12.6059 12.9331 12.9331 13.4958 13.4958 13.9925 13.9925 k = 0.3175 0.3175-0.0000 ( 4825 PWs) bands (ev): -0.4396 -0.4396 0.0532 0.0532 1.6266 1.6266 4.7013 4.7013 4.7466 4.7466 5.1144 5.1144 5.6041 5.6041 5.9711 5.9711 6.1123 6.1123 6.2679 6.2679 6.8309 6.8309 6.9617 6.9617 7.0709 7.0709 7.1797 7.1797 7.2430 7.2430 7.8892 7.8892 8.0134 8.0134 8.0589 8.0589 8.3568 8.3568 8.7649 8.7649 9.1621 9.1621 9.5559 9.5559 9.5777 9.5777 9.6288 9.6288 12.0929 12.0929 12.5805 12.5805 12.8598 12.8598 13.5555 13.5555 14.0319 14.0319 k = 0.3095 0.3095-0.0000 ( 4841 PWs) bands (ev): -0.4923 -0.4923 0.0346 0.0346 1.5275 1.5275 4.7298 4.7298 4.8076 4.8076 5.1638 5.1638 5.6501 5.6501 5.9272 5.9272 6.0807 6.0807 6.2628 6.2628 6.8346 6.8346 6.9474 6.9474 7.0945 7.0945 7.2081 7.2081 7.2815 7.2815 7.8978 7.8978 8.0115 8.0115 8.0504 8.0504 8.3771 8.3771 8.8594 8.8594 9.1615 9.1615 9.5863 9.5863 9.6385 9.6385 9.6963 9.6963 11.9934 11.9934 12.5571 12.5571 12.7862 12.7862 13.6243 13.6243 14.0754 14.0754 k = 0.3016 0.3016-0.0000 ( 4853 PWs) bands (ev): -0.5459 -0.5459 0.0148 0.0148 1.4310 1.4310 4.7591 4.7591 4.8712 4.8712 5.2149 5.2149 5.6973 5.6973 5.8851 5.8851 6.0472 6.0472 6.2576 6.2576 6.8372 6.8372 6.9310 6.9310 7.1208 7.1208 7.2378 7.2378 7.3209 7.3209 7.9062 7.9062 8.0092 8.0092 8.0442 8.0442 8.3975 8.3975 8.9294 8.9294 9.1614 9.1614 9.6151 9.6151 9.7242 9.7242 9.7696 9.7696 11.8948 11.8948 12.5361 12.5361 12.7120 12.7120 13.6996 13.6996 14.1235 14.1235 k = 0.2937 0.2937-0.0000 ( 4853 PWs) bands (ev): -0.6005 -0.6005 -0.0061 -0.0061 1.3370 1.3370 4.7888 4.7888 4.9371 4.9371 5.2677 5.2677 5.7406 5.7406 5.8505 5.8505 6.0123 6.0123 6.2524 6.2524 6.8378 6.8378 6.9149 6.9149 7.1484 7.1484 7.2686 7.2686 7.3606 7.3606 7.9143 7.9143 8.0065 8.0065 8.0411 8.0411 8.4178 8.4178 8.9763 8.9763 9.1619 9.1619 9.6454 9.6454 9.8250 9.8250 9.8536 9.8536 11.7977 11.7977 12.5176 12.5176 12.6374 12.6374 13.7786 13.7786 14.1727 14.1727 k = 0.2857 0.2857-0.0000 ( 4857 PWs) bands (ev): -0.6558 -0.6558 -0.0281 -0.0281 1.2456 1.2456 4.8186 4.8186 5.0054 5.0054 5.3221 5.3221 5.7546 5.7546 5.8488 5.8488 5.9765 5.9765 6.2471 6.2471 6.8349 6.8349 6.9009 6.9009 7.1763 7.1763 7.3003 7.3003 7.4003 7.4003 7.9218 7.9218 8.0039 8.0039 8.0410 8.0410 8.4380 8.4380 9.0057 9.0057 9.1626 9.1626 9.6774 9.6774 9.9132 9.9132 9.9702 9.9702 11.7027 11.7027 12.5009 12.5009 12.5636 12.5636 13.8580 13.8580 14.1803 14.1803 k = 0.2778 0.2778-0.0000 ( 4853 PWs) bands (ev): -0.7117 -0.7117 -0.0511 -0.0511 1.1568 1.1568 4.8480 4.8480 5.0758 5.0758 5.3780 5.3780 5.7274 5.7274 5.8921 5.8921 5.9404 5.9404 6.2418 6.2418 6.8272 6.8272 6.8912 6.8912 7.2042 7.2042 7.3327 7.3327 7.4397 7.4397 7.9284 7.9284 8.0023 8.0023 8.0438 8.0438 8.4579 8.4579 9.0237 9.0237 9.1633 9.1633 9.7114 9.7114 9.9944 9.9944 10.1071 10.1071 11.6104 11.6104 12.4697 12.4697 12.5072 12.5072 13.9342 13.9342 14.1642 14.1642 k = 0.2698 0.2698-0.0000 ( 4855 PWs) bands (ev): -0.7679 -0.7679 -0.0752 -0.0752 1.0707 1.0707 4.8764 4.8764 5.1484 5.1484 5.4355 5.4355 5.6892 5.6892 5.9037 5.9037 5.9510 5.9510 6.2364 6.2364 6.8144 6.8144 6.8860 6.8860 7.2316 7.2316 7.3657 7.3657 7.4784 7.4784 7.9341 7.9341 8.0025 8.0025 8.0490 8.0490 8.4777 8.4777 9.0353 9.0353 9.1641 9.1641 9.7474 9.7474 10.0752 10.0752 10.2521 10.2521 11.5216 11.5216 12.3991 12.3991 12.4935 12.4935 14.0035 14.0035 14.1465 14.1465 k = 0.2619 0.2619-0.0000 ( 4843 PWs) bands (ev): -0.8244 -0.8244 -0.1001 -0.1001 0.9872 0.9872 4.9030 4.9030 5.2230 5.2230 5.4945 5.4945 5.6495 5.6495 5.8688 5.8688 6.0147 6.0147 6.2311 6.2311 6.7981 6.7981 6.8841 6.8841 7.2580 7.2580 7.3992 7.3992 7.5162 7.5162 7.9389 7.9389 8.0048 8.0048 8.0563 8.0563 8.4973 8.4973 9.0442 9.0442 9.1649 9.1649 9.7852 9.7852 10.1556 10.1556 10.4003 10.4003 11.4374 11.4374 12.3204 12.3204 12.4914 12.4914 14.0562 14.0562 14.1376 14.1376 k = 0.2540 0.2540-0.0000 ( 4835 PWs) bands (ev): -0.8810 -0.8810 -0.1259 -0.1259 0.9063 0.9063 4.9272 4.9272 5.2996 5.2996 5.5547 5.5547 5.6103 5.6103 5.8357 5.8357 6.0822 6.0822 6.2258 6.2258 6.7799 6.7799 6.8840 6.8840 7.2832 7.2832 7.4330 7.4330 7.5527 7.5527 7.9429 7.9429 8.0098 8.0098 8.0654 8.0654 8.5165 8.5165 9.0528 9.0528 9.1659 9.1659 9.8249 9.8249 10.2341 10.2341 10.5485 10.5485 11.3594 11.3594 12.2394 12.2394 12.4960 12.4960 14.0663 14.0663 14.1615 14.1616 k = 0.2460 0.2460-0.0000 ( 4835 PWs) bands (ev): -0.9374 -0.9374 -0.1525 -0.1525 0.8280 0.8280 4.9480 4.9480 5.3780 5.3780 5.5711 5.5711 5.6172 5.6172 5.8055 5.8055 6.1524 6.1524 6.2206 6.2206 6.7609 6.7609 6.8849 6.8849 7.3067 7.3067 7.4668 7.4668 7.5878 7.5878 7.9464 7.9464 8.0173 8.0173 8.0760 8.0760 8.5356 8.5356 9.0627 9.0627 9.1677 9.1677 9.8664 9.8664 10.3086 10.3086 10.6943 10.6943 11.2896 11.2896 12.1564 12.1564 12.5071 12.5071 14.0484 14.0484 14.1240 14.1240 k = 0.2381 0.2381-0.0000 ( 4851 PWs) bands (ev): -0.9937 -0.9937 -0.1797 -0.1797 0.7524 0.7524 4.9645 4.9645 5.4577 5.4577 5.5346 5.5346 5.6790 5.6790 5.7800 5.7800 6.2125 6.2125 6.2279 6.2279 6.7415 6.7415 6.8866 6.8866 7.3283 7.3283 7.5005 7.5005 7.6212 7.6212 7.9496 7.9496 8.0275 8.0275 8.0878 8.0878 8.5544 8.5544 9.0744 9.0744 9.1711 9.1711 9.9096 9.9096 10.3758 10.3758 10.8355 10.8355 11.2317 11.2317 12.0716 12.0716 12.5254 12.5254 14.0248 14.0248 14.0739 14.0739 k = 0.2302 0.2302-0.0000 ( 4859 PWs) bands (ev): -1.0495 -1.0495 -0.2076 -0.2076 0.6794 0.6794 4.9758 4.9758 5.4965 5.4965 5.5416 5.5416 5.7321 5.7321 5.7699 5.7699 6.2091 6.2091 6.3006 6.3006 6.7222 6.7222 6.8892 6.8892 7.3476 7.3476 7.5339 7.5339 7.6528 7.6528 7.9529 7.9529 8.0401 8.0401 8.1007 8.1007 8.5731 8.5731 9.0876 9.0876 9.1775 9.1775 9.9542 9.9542 10.4310 10.4310 10.9698 10.9698 11.1907 11.1907 11.9849 11.9849 12.5514 12.5514 13.9997 13.9997 14.0227 14.0227 k = 0.2222 0.2222-0.0000 ( 4855 PWs) bands (ev): -1.1047 -1.1047 -0.2358 -0.2358 0.6090 0.6090 4.9809 4.9809 5.4632 5.4632 5.6234 5.6234 5.7328 5.7328 5.8196 5.8196 6.2040 6.2040 6.3763 6.3763 6.7031 6.7031 6.8932 6.8932 7.3646 7.3646 7.5666 7.5666 7.6824 7.6824 7.9568 7.9568 8.0551 8.0551 8.1144 8.1144 8.5916 8.5916 9.1004 9.1004 9.1895 9.1895 10.0003 10.0003 10.4681 10.4681 11.0937 11.0937 11.1745 11.1745 11.8963 11.8963 12.5858 12.5858 13.9654 13.9654 13.9804 13.9804 k = 0.2143 0.2143-0.0000 ( 4851 PWs) bands (ev): -1.1593 -1.1593 -0.2645 -0.2645 0.5412 0.5412 4.9794 4.9794 5.4307 5.4307 5.7068 5.7068 5.7242 5.7242 5.8867 5.8867 6.1990 6.1990 6.4522 6.4522 6.6843 6.6843 6.8993 6.8993 7.3790 7.3790 7.5982 7.5982 7.7102 7.7102 7.9616 7.9616 8.0720 8.0720 8.1288 8.1288 8.6100 8.6100 9.1105 9.1105 9.2100 9.2100 10.0475 10.0475 10.4824 10.4824 11.1692 11.1692 11.2244 11.2244 11.8059 11.8059 12.6287 12.6287 13.9131 13.9131 13.9571 13.9571 k = 0.2063 0.2063-0.0000 ( 4855 PWs) bands (ev): -1.2130 -1.2130 -0.2933 -0.2933 0.4761 0.4761 4.9711 4.9711 5.3997 5.3997 5.7204 5.7204 5.7910 5.7910 5.9575 5.9575 6.1941 6.1941 6.5268 6.5268 6.6660 6.6660 6.9089 6.9089 7.3909 7.3909 7.6282 7.6282 7.7361 7.7361 7.9679 7.9679 8.0905 8.0905 8.1437 8.1437 8.6283 8.6283 9.1168 9.1168 9.2404 9.2404 10.0957 10.0957 10.4735 10.4735 11.2088 11.2088 11.3273 11.3273 11.7136 11.7136 12.6802 12.6802 13.8586 13.8586 13.9378 13.9378 k = 0.1984 0.1984-0.0000 ( 4853 PWs) bands (ev): -1.2658 -1.2658 -0.3223 -0.3223 0.4135 0.4135 4.9563 4.9563 5.3703 5.3703 5.7226 5.7226 5.8746 5.8746 6.0313 6.0313 6.1896 6.1896 6.5968 6.5968 6.6488 6.6488 6.9241 6.9241 7.4003 7.4003 7.6561 7.6561 7.7602 7.7602 7.9761 7.9761 8.1103 8.1103 8.1589 8.1589 8.6465 8.6465 9.1198 9.1198 9.2801 9.2801 10.1446 10.1446 10.4459 10.4459 11.2672 11.2672 11.4234 11.4234 11.6198 11.6198 12.7396 12.7396 13.8037 13.8037 13.9217 13.9217 k = 0.1905 0.1905-0.0000 ( 4859 PWs) bands (ev): -1.3174 -1.3174 -0.3514 -0.3514 0.3534 0.3534 4.9357 4.9357 5.3426 5.3426 5.7302 5.7302 5.9572 5.9572 6.1076 6.1076 6.1862 6.1862 6.6271 6.6271 6.6642 6.6642 6.9486 6.9486 7.4074 7.4074 7.6813 7.6813 7.7826 7.7826 7.9870 7.9870 8.1309 8.1309 8.1745 8.1745 8.6646 8.6646 9.1207 9.1207 9.3280 9.3280 10.1938 10.1938 10.4056 10.4056 11.3407 11.3407 11.5048 11.5048 11.5298 11.5298 12.8059 12.8059 13.7488 13.7488 13.9093 13.9093 k = 0.1825 0.1825-0.0000 ( 4863 PWs) bands (ev): -1.3679 -1.3679 -0.3803 -0.3803 0.2960 0.2960 4.9102 4.9102 5.3166 5.3166 5.7424 5.7424 6.0378 6.0378 6.1699 6.1699 6.2009 6.2009 6.6114 6.6114 6.7143 6.7143 6.9864 6.9864 7.4123 7.4123 7.7033 7.7033 7.8034 7.8034 8.0011 8.0011 8.1518 8.1518 8.1903 8.1903 8.6828 8.6828 9.1202 9.1202 9.3831 9.3831 10.2427 10.2427 10.3583 10.3583 11.4046 11.4046 11.4470 11.4470 11.5888 11.5888 12.8772 12.8772 13.6945 13.6945 13.9009 13.9009 k = 0.1746 0.1746-0.0000 ( 4863 PWs) bands (ev): -1.4170 -1.4170 -0.4090 -0.4090 0.2410 0.2410 4.8808 4.8808 5.2921 5.2921 5.7585 5.7585 6.1148 6.1148 6.1744 6.1744 6.2792 6.2792 6.5951 6.5951 6.7515 6.7515 7.0392 7.0392 7.4155 7.4155 7.7217 7.7217 7.8228 7.8228 8.0188 8.0188 8.1728 8.1728 8.2065 8.2065 8.7009 8.7009 9.1186 9.1186 9.4448 9.4448 10.2835 10.2835 10.3148 10.3148 11.3208 11.3208 11.5242 11.5242 11.6579 11.6579 12.9518 12.9518 13.6410 13.6410 13.8969 13.8969 k = 0.1667 0.1667-0.0000 ( 4863 PWs) bands (ev): -1.4646 -1.4646 -0.4373 -0.4373 0.1886 0.1886 4.8485 4.8485 5.2693 5.2693 5.7774 5.7774 6.1619 6.1619 6.2003 6.2003 6.3677 6.3677 6.5792 6.5792 6.7767 6.7767 7.1043 7.1043 7.4173 7.4173 7.7364 7.7364 7.8411 7.8411 8.0403 8.0403 8.1935 8.1935 8.2230 8.2230 8.7191 8.7191 9.1163 9.1163 9.5121 9.5121 10.2474 10.2474 10.3460 10.3460 11.2204 11.2204 11.6206 11.6206 11.7211 11.7211 13.0274 13.0274 13.5890 13.5890 13.8976 13.8976 k = 0.1587 0.1587-0.0000 ( 4865 PWs) bands (ev): -1.5107 -1.5107 -0.4652 -0.4652 0.1387 0.1387 4.8142 4.8142 5.2480 5.2480 5.7983 5.7983 6.1617 6.1617 6.2707 6.2707 6.4596 6.4596 6.5647 6.5647 6.7939 6.7939 7.1765 7.1765 7.4185 7.4185 7.7475 7.7475 7.8587 7.8587 8.0656 8.0656 8.2134 8.2134 8.2401 8.2401 8.7373 8.7373 9.1132 9.1132 9.5846 9.5846 10.1937 10.1937 10.3934 10.3934 11.1177 11.1177 11.7191 11.7191 11.7808 11.7808 13.1021 13.1021 13.5389 13.5389 13.9030 13.9030 k = 0.1508 0.1508-0.0000 ( 4867 PWs) bands (ev): -1.5551 -1.5551 -0.4926 -0.4926 0.0914 0.0914 4.7788 4.7788 5.2283 5.2283 5.8205 5.8205 6.1583 6.1583 6.3422 6.3422 6.5367 6.5367 6.5690 6.5690 6.8063 6.8063 7.2500 7.2500 7.4206 7.4206 7.7554 7.7554 7.8767 7.8767 8.0939 8.0939 8.2324 8.2324 8.2580 8.2580 8.7555 8.7555 9.1095 9.1095 9.6614 9.6614 10.1395 10.1395 10.4406 10.4406 11.0135 11.0135 11.8094 11.8094 11.8470 11.8470 13.1741 13.1741 13.4910 13.4910 13.9132 13.9132 k = 0.1429 0.1429-0.0000 ( 4867 PWs) bands (ev): -1.5978 -1.5978 -0.5192 -0.5192 0.0465 0.0465 4.7428 4.7428 5.2100 5.2100 5.8435 5.8435 6.1547 6.1547 6.4117 6.4117 6.5320 6.5320 6.6590 6.6590 6.8163 6.8163 7.3166 7.3166 7.4283 7.4283 7.7606 7.7606 7.8963 7.8963 8.1247 8.1247 8.2503 8.2503 8.2766 8.2766 8.7737 8.7737 9.1050 9.1050 9.7419 9.7419 10.0860 10.0860 10.4865 10.4865 10.9078 10.9078 11.8723 11.8723 11.9388 11.9388 13.2418 13.2418 13.4459 13.4459 13.9278 13.9278 k = 0.1349 0.1349-0.0000 ( 4857 PWs) bands (ev): -1.6387 -1.6387 -0.5451 -0.5451 0.0041 0.0041 4.7068 4.7068 5.1931 5.1931 5.8668 5.8668 6.1512 6.1512 6.4753 6.4753 6.5242 6.5242 6.7590 6.7590 6.8251 6.8251 7.3601 7.3601 7.4548 7.4548 7.7635 7.7635 7.9194 7.9194 8.1572 8.1572 8.2675 8.2675 8.2961 8.2961 8.7919 8.7919 9.0998 9.0998 9.8253 9.8253 10.0335 10.0335 10.5307 10.5307 10.8011 10.8011 11.9241 11.9241 12.0403 12.0403 13.3041 13.3041 13.4040 13.4040 13.9420 13.9425 k = 0.1270 0.1270-0.0000 ( 4849 PWs) bands (ev): -1.6776 -1.6776 -0.5701 -0.5701 -0.0358 -0.0358 4.6713 4.6713 5.1777 5.1777 5.8899 5.8899 6.1477 6.1477 6.4960 6.4960 6.5580 6.5580 6.8321 6.8321 6.8625 6.8625 7.3741 7.3741 7.5030 7.5030 7.7647 7.7647 7.9484 7.9484 8.1906 8.1906 8.2844 8.2844 8.3163 8.3163 8.8100 8.8100 9.0937 9.0937 9.9109 9.9109 9.9821 9.9821 10.5727 10.5727 10.6935 10.6935 11.9739 11.9739 12.1425 12.1425 13.3574 13.3574 13.3683 13.3683 13.8034 13.8034 k = 0.1190 0.1190-0.0000 ( 4859 PWs) bands (ev): -1.7146 -1.7146 -0.5941 -0.5941 -0.0733 -0.0733 4.6366 4.6366 5.1635 5.1635 5.9126 5.9126 6.1445 6.1445 6.4864 6.4864 6.6208 6.6208 6.8406 6.8406 6.9656 6.9656 7.3754 7.3754 7.5530 7.5530 7.7645 7.7645 7.9859 7.9859 8.2238 8.2238 8.3018 8.3018 8.3372 8.3372 8.8280 8.8280 9.0866 9.0866 9.9319 9.9319 9.9977 9.9977 10.5849 10.5849 10.6126 10.6126 12.0235 12.0235 12.2433 12.2433 13.3305 13.3305 13.4096 13.4096 13.6657 13.6657 k = 0.1111 0.1111-0.0000 ( 4855 PWs) bands (ev): -1.7495 -1.7495 -0.6170 -0.6170 -0.1083 -0.1083 4.6031 4.6031 5.1505 5.1505 5.9346 5.9346 6.1416 6.1416 6.4749 6.4749 6.6845 6.6845 6.8488 6.8488 7.0699 7.0699 7.3727 7.3727 7.5936 7.5936 7.7635 7.7635 8.0336 8.0336 8.2550 8.2550 8.3213 8.3213 8.3592 8.3592 8.8458 8.8458 9.0785 9.0785 9.8829 9.8829 10.0851 10.0851 10.4762 10.4762 10.6493 10.6493 12.0741 12.0741 12.3418 12.3418 13.3002 13.3002 13.4508 13.4508 13.5318 13.5318 k = 0.1032 0.1032-0.0000 ( 4859 PWs) bands (ev): -1.7822 -1.7822 -0.6387 -0.6387 -0.1409 -0.1409 4.5711 4.5711 5.1388 5.1388 5.9556 5.9556 6.1390 6.1390 6.4635 6.4635 6.7471 6.7471 6.8572 6.8572 7.1740 7.1740 7.3688 7.3688 7.6223 7.6223 7.7621 7.7621 8.0908 8.0908 8.2820 8.2820 8.3448 8.3448 8.3829 8.3829 8.8633 8.8633 9.0692 9.0692 9.8349 9.8349 10.1720 10.1720 10.3670 10.3670 10.6831 10.6831 12.1263 12.1263 12.4368 12.4368 13.2739 13.2739 13.4022 13.4022 13.4845 13.4845 k = 0.0952 0.0952-0.0000 ( 4867 PWs) bands (ev): -1.8128 -1.8128 -0.6592 -0.6592 -0.1710 -0.1710 4.5407 4.5407 5.1282 5.1282 5.9755 5.9755 6.1368 6.1368 6.4524 6.4524 6.8078 6.8078 6.8659 6.8659 7.2756 7.2756 7.3658 7.3658 7.6400 7.6400 7.7609 7.7609 8.1544 8.1544 8.3034 8.3034 8.3739 8.3739 8.4094 8.4094 8.8805 8.8805 9.0585 9.0585 9.7877 9.7877 10.2573 10.2573 10.2580 10.2580 10.7137 10.7137 12.1808 12.1808 12.5276 12.5276 13.2502 13.2502 13.2804 13.2804 13.5095 13.5095 k = 0.0873 0.0873-0.0000 ( 4865 PWs) bands (ev): -1.8411 -1.8411 -0.6783 -0.6783 -0.1987 -0.1987 4.5122 4.5122 5.1187 5.1187 5.9940 5.9940 6.1349 6.1349 6.4420 6.4420 6.8663 6.8663 6.8750 6.8750 7.3451 7.3451 7.3920 7.3920 7.6492 7.6492 7.7612 7.7612 8.2189 8.2189 8.3201 8.3201 8.4082 8.4082 8.4402 8.4402 8.8970 8.8970 9.0463 9.0463 9.7412 9.7412 10.1488 10.1488 10.3407 10.3407 10.7410 10.7410 12.2380 12.2380 12.6132 12.6132 13.1588 13.1588 13.2368 13.2368 13.5261 13.5261 k = 0.0794 0.0794-0.0000 ( 4871 PWs) bands (ev): -1.8671 -1.8671 -0.6961 -0.6961 -0.2240 -0.2240 4.4857 4.4857 5.1102 5.1102 6.0110 6.0110 6.1336 6.1336 6.4322 6.4322 6.8840 6.8840 6.9227 6.9227 7.3468 7.3468 7.4798 7.4798 7.6527 7.6527 7.7662 7.7662 8.2776 8.2776 8.3339 8.3339 8.4479 8.4479 8.4772 8.4772 8.9129 8.9129 9.0324 9.0324 9.6950 9.6950 10.0403 10.0403 10.4206 10.4206 10.7649 10.7649 12.2983 12.2983 12.6927 12.6927 13.0487 13.0487 13.2233 13.2233 13.5343 13.5343 k = 0.0714 0.0714-0.0000 ( 4863 PWs) bands (ev): -1.8908 -1.8908 -0.7123 -0.7123 -0.2468 -0.2468 4.4614 4.4614 5.1027 5.1027 6.0263 6.0263 6.1328 6.1328 6.4232 6.4232 6.8934 6.8934 6.9762 6.9762 7.3421 7.3421 7.5587 7.5587 7.6533 7.6533 7.7840 7.7840 8.3232 8.3232 8.3472 8.3472 8.4908 8.4908 8.5250 8.5250 8.9280 8.9280 9.0167 9.0167 9.6489 9.6489 9.9330 9.9330 10.4962 10.4962 10.7855 10.7855 12.3620 12.3620 12.7646 12.7646 12.9466 12.9466 13.2141 13.2141 13.5342 13.5342 k = 0.0635 0.0635-0.0000 ( 4855 PWs) bands (ev): -1.9121 -1.9121 -0.7270 -0.7270 -0.2673 -0.2673 4.4393 4.4393 5.0961 5.0961 6.0398 6.0398 6.1327 6.1327 6.4148 6.4148 6.9028 6.9028 7.0267 7.0267 7.3369 7.3369 7.6068 7.6068 7.6544 7.6544 7.8284 7.8284 8.3482 8.3482 8.3668 8.3668 8.5320 8.5320 8.5869 8.5869 8.9420 8.9420 8.9990 8.9990 9.6026 9.6026 9.8272 9.8272 10.5666 10.5666 10.8029 10.8029 12.4292 12.4292 12.8185 12.8185 12.8636 12.8636 13.2085 13.2085 13.5258 13.5258 k = 0.0556 0.0556-0.0000 ( 4849 PWs) bands (ev): -1.9310 -1.9310 -0.7401 -0.7401 -0.2853 -0.2853 4.4196 4.4196 5.0904 5.0904 6.0512 6.0512 6.1333 6.1333 6.4073 6.4073 6.9120 6.9120 7.0738 7.0738 7.3317 7.3317 7.6203 7.6203 7.6573 7.6573 7.9024 7.9024 8.3592 8.3592 8.3896 8.3896 8.5708 8.5708 8.6584 8.6584 8.9545 8.9545 8.9796 8.9796 9.5557 9.5557 9.7238 9.7238 10.6309 10.6309 10.8173 10.8173 12.4999 12.4999 12.7601 12.7601 12.8937 12.8937 13.2058 13.2058 13.5089 13.5093 k = 0.0476 0.0476-0.0000 ( 4853 PWs) bands (ev): -1.9474 -1.9474 -0.7515 -0.7515 -0.3009 -0.3009 4.4024 4.4024 5.0856 5.0856 6.0605 6.0605 6.1345 6.1345 6.4006 6.4006 6.9207 6.9207 7.1170 7.1170 7.3268 7.3268 7.6185 7.6185 7.6567 7.6567 7.9922 7.9922 8.3670 8.3670 8.4081 8.4081 8.6074 8.6074 8.7338 8.7338 8.9553 8.9553 8.9688 8.9688 9.5077 9.5077 9.6239 9.6239 10.6883 10.6883 10.8290 10.8290 12.5735 12.5735 12.6862 12.6862 12.9406 12.9406 13.2054 13.2054 13.4355 13.4355 k = 0.0397 0.0397-0.0000 ( 4861 PWs) bands (ev): -1.9613 -1.9613 -0.7613 -0.7613 -0.3141 -0.3141 4.3878 4.3878 5.0815 5.0815 6.0678 6.0678 6.1364 6.1364 6.3948 6.3948 6.9287 6.9287 7.1559 7.1559 7.3221 7.3221 7.6127 7.6127 7.6522 7.6522 8.0872 8.0872 8.3734 8.3734 8.4226 8.4226 8.6406 8.6406 8.8097 8.8097 8.9337 8.9337 8.9777 8.9777 9.4580 9.4580 9.5294 9.5294 10.7379 10.7379 10.8383 10.8383 12.6170 12.6170 12.6546 12.6546 12.9791 12.9791 13.2064 13.2064 13.3822 13.3822 k = 0.0317 0.0317-0.0000 ( 4861 PWs) bands (ev): -1.9728 -1.9728 -0.7693 -0.7693 -0.3249 -0.3249 4.3757 4.3757 5.0783 5.0783 6.0731 6.0731 6.1387 6.1387 6.3899 6.3899 6.9359 6.9359 7.1899 7.1899 7.3178 7.3178 7.6060 7.6060 7.6459 7.6459 8.1816 8.1816 8.3787 8.3787 8.4340 8.4340 8.6671 8.6671 8.8832 8.8832 8.9128 8.9128 8.9861 8.9861 9.4047 9.4047 9.4442 9.4442 10.7791 10.7791 10.8456 10.8456 12.5650 12.5650 12.7309 12.7309 13.0077 13.0077 13.2078 13.2078 13.3399 13.3399 k = 0.0238 0.0238-0.0000 ( 4859 PWs) bands (ev): -1.9817 -1.9817 -0.7756 -0.7756 -0.3333 -0.3333 4.3662 4.3662 5.0758 5.0758 6.0768 6.0768 6.1410 6.1410 6.3860 6.3860 6.9417 6.9417 7.2183 7.2183 7.3138 7.3138 7.5995 7.5995 7.6396 7.6396 8.2712 8.2712 8.3836 8.3836 8.4428 8.4428 8.6817 8.6817 8.8939 8.8939 8.9566 8.9566 8.9928 8.9928 9.3444 9.3444 9.3749 9.3749 10.8112 10.8112 10.8515 10.8515 12.5224 12.5224 12.8096 12.8096 13.0265 13.0265 13.2079 13.2079 13.3092 13.3092 k = 0.0159 0.0159-0.0000 ( 4865 PWs) bands (ev): -1.9881 -1.9881 -0.7801 -0.7801 -0.3393 -0.3393 4.3595 4.3595 5.0740 5.0740 6.0792 6.0792 6.1430 6.1430 6.3832 6.3832 6.9461 6.9461 7.2401 7.2401 7.3103 7.3103 7.5942 7.5942 7.6342 7.6342 8.3475 8.3475 8.3913 8.3913 8.4493 8.4493 8.6787 8.6787 8.8867 8.8867 8.9977 8.9977 9.0229 9.0229 9.2841 9.2841 9.3199 9.3199 10.8333 10.8333 10.8566 10.8566 12.4914 12.4914 12.8852 12.8852 13.0368 13.0368 13.2034 13.2034 13.2897 13.2897 k = 0.0079 0.0079-0.0000 ( 4865 PWs) bands (ev): -1.9919 -1.9919 -0.7828 -0.7828 -0.3429 -0.3429 4.3554 4.3554 5.0729 5.0729 6.0806 6.0806 6.1443 6.1443 6.3815 6.3815 6.9488 6.9488 7.2544 7.2544 7.3076 7.3076 7.5907 7.5907 7.6306 7.6306 8.3782 8.3782 8.4238 8.4238 8.4554 8.4554 8.6614 8.6614 8.8879 8.8879 9.0007 9.0007 9.0797 9.0797 9.2373 9.2373 9.2760 9.2760 10.8445 10.8445 10.8616 10.8616 12.4727 12.4727 12.9492 12.9492 13.0408 13.0408 13.1886 13.1886 13.2726 13.2726 k = 0.0000 0.0000 0.0000 ( 4873 PWs) bands (ev): -1.9932 -1.9932 -0.7838 -0.7838 -0.3441 -0.3441 4.3540 4.3540 5.0725 5.0725 6.0809 6.0809 6.1447 6.1447 6.3809 6.3809 6.9497 6.9497 7.2594 7.2594 7.3064 7.3064 7.5895 7.5895 7.6294 7.6294 8.3813 8.3813 8.4418 8.4418 8.4631 8.4631 8.6497 8.6497 8.8898 8.8898 9.0016 9.0016 9.1077 9.1077 9.2157 9.2157 9.2572 9.2572 10.8475 10.8475 10.8641 10.8641 12.4665 12.4665 12.9783 12.9783 13.0412 13.0412 13.1753 13.1753 13.2615 13.2615 k = 0.0000 0.0000 0.0000 ( 4873 PWs) bands (ev): -1.9932 -1.9932 -0.7838 -0.7838 -0.3441 -0.3441 4.3540 4.3540 5.0725 5.0725 6.0809 6.0809 6.1447 6.1447 6.3809 6.3809 6.9497 6.9497 7.2594 7.2594 7.3064 7.3064 7.5895 7.5895 7.6294 7.6294 8.3813 8.3813 8.4418 8.4418 8.4631 8.4631 8.6497 8.6497 8.8898 8.8898 9.0016 9.0016 9.1077 9.1077 9.2157 9.2157 9.2572 9.2572 10.8475 10.8475 10.8641 10.8641 12.4665 12.4665 12.9783 12.9783 13.0412 13.0412 13.1753 13.1753 13.2615 13.2615 k = 0.0000 0.0000 0.0111 ( 4865 PWs) bands (ev): -1.9923 -1.9923 -0.7903 -0.7903 -0.3377 -0.3377 4.3478 4.3478 5.0785 5.0785 6.0809 6.0809 6.1447 6.1447 6.3809 6.3809 6.9487 6.9487 7.2600 7.2600 7.3098 7.3098 7.5897 7.5897 7.6294 7.6294 8.3814 8.3814 8.4430 8.4430 8.4641 8.4641 8.6421 8.6421 8.8898 8.8898 9.0096 9.0096 9.1040 9.1040 9.2134 9.2134 9.2548 9.2548 10.8490 10.8490 10.8658 10.8658 12.4650 12.4650 12.9779 12.9779 13.0416 13.0416 13.1749 13.1749 13.2613 13.2613 k = 0.0000 0.0000 0.0222 ( 4865 PWs) bands (ev): -1.9896 -1.9896 -0.8089 -0.8089 -0.3196 -0.3196 4.3297 4.3297 5.0955 5.0955 6.0808 6.0808 6.1446 6.1446 6.3809 6.3809 6.9456 6.9456 7.2618 7.2618 7.3200 7.3200 7.5906 7.5906 7.6296 7.6296 8.3820 8.3820 8.4468 8.4468 8.4670 8.4670 8.6214 8.6214 8.8898 8.8898 9.0316 9.0316 9.0927 9.0927 9.2065 9.2065 9.2475 9.2475 10.8536 10.8536 10.8709 10.8709 12.4607 12.4607 12.9768 12.9768 13.0427 13.0427 13.1720 13.1720 13.2058 13.2058 k = 0.0000 0.0000 0.0333 ( 4865 PWs) bands (ev): -1.9853 -1.9853 -0.8367 -0.8367 -0.2926 -0.2926 4.3019 4.3019 5.1215 5.1215 6.0805 6.0805 6.1445 6.1445 6.3809 6.3809 6.9408 6.9408 7.2648 7.2648 7.3365 7.3365 7.5922 7.5922 7.6298 7.6298 8.3827 8.3827 8.4530 8.4530 8.4718 8.4718 8.5918 8.5918 8.8898 8.8898 9.0634 9.0634 9.0742 9.0742 9.1952 9.1952 9.2357 9.2357 10.8610 10.8610 10.8790 10.8790 12.4538 12.4538 12.9751 12.9751 13.0444 13.0444 13.1290 13.1290 13.1782 13.1783 k = 0.0000 0.0000 0.0444 ( 4844 PWs) bands (ev): -1.9793 -1.9793 -0.8708 -0.8708 -0.2598 -0.2598 4.2667 4.2667 5.1542 5.1542 6.0803 6.0803 6.1443 6.1443 6.3809 6.3809 6.9348 6.9348 7.2689 7.2689 7.3585 7.3585 7.5947 7.5947 7.6302 7.6302 8.3833 8.3833 8.4616 8.4616 8.4785 8.4785 8.5574 8.5574 8.8897 8.8897 9.0486 9.0486 9.1012 9.1012 9.1797 9.1797 9.2196 9.2196 10.8710 10.8710 10.8899 10.8899 12.4443 12.4443 12.9729 12.9729 13.0465 13.0465 13.0537 13.0537 13.1759 13.1759 k = 0.0000 0.0000 0.0555 ( 4860 PWs) bands (ev): -1.9717 -1.9717 -0.9087 -0.9087 -0.2235 -0.2235 4.2268 4.2268 5.1910 5.1910 6.0799 6.0799 6.1440 6.1440 6.3809 6.3809 6.9280 6.9280 7.2740 7.2740 7.3851 7.3851 7.5984 7.5984 7.6305 7.6305 8.3835 8.3835 8.4727 8.4727 8.4859 8.4859 8.5224 8.5224 8.8897 8.8897 9.0164 9.0164 9.1420 9.1420 9.1605 9.1605 9.1995 9.1995 10.8830 10.8830 10.9032 10.9032 12.4326 12.4326 12.9704 12.9704 12.9761 12.9761 13.0490 13.0490 13.1747 13.1747 k = 0.0000 0.0000 0.0666 ( 4860 PWs) bands (ev): -1.9626 -1.9626 -0.9487 -0.9487 -0.1858 -0.1858 4.1842 4.1842 5.2299 5.2299 6.0795 6.0795 6.1438 6.1438 6.3809 6.3809 6.9208 6.9208 7.2800 7.2800 7.4152 7.4152 7.6041 7.6041 7.6309 7.6309 8.3826 8.3826 8.4767 8.4767 8.4861 8.4861 8.5065 8.5065 8.8895 8.8895 8.9781 8.9781 9.1378 9.1378 9.1746 9.1746 9.1855 9.1855 10.8968 10.8968 10.9182 10.9182 12.4190 12.4190 12.9001 12.9001 12.9677 12.9677 13.0516 13.0516 13.1735 13.1735 k = 0.0000 0.0000 0.0777 ( 4852 PWs) bands (ev): -1.9523 -1.9523 -0.9893 -0.9893 -0.1479 -0.1479 4.1407 4.1407 5.2692 5.2692 6.0790 6.0790 6.1434 6.1434 6.3809 6.3809 6.9135 6.9135 7.2869 7.2869 7.4468 7.4468 7.6132 7.6132 7.6314 7.6314 8.3788 8.3788 8.4461 8.4461 8.5018 8.5018 8.5176 8.5176 8.8889 8.8889 8.9345 8.9345 9.1121 9.1121 9.1490 9.1490 9.2265 9.2265 10.9117 10.9117 10.9345 10.9345 12.4040 12.4040 12.8277 12.8277 12.9649 12.9649 13.0543 13.0543 13.1722 13.1722 k = 0.0000 0.0000 0.0889 ( 4852 PWs) bands (ev): -1.9409 -1.9409 -1.0296 -1.0296 -0.1110 -0.1110 4.0978 4.0978 5.3076 5.3076 6.0785 6.0785 6.1431 6.1431 6.3809 6.3809 6.9063 6.9063 7.2942 7.2942 7.4773 7.4773 7.6277 7.6277 7.6320 7.6320 8.3678 8.3678 8.4213 8.4213 8.5196 8.5196 8.5335 8.5335 8.8795 8.8795 8.8948 8.8948 9.0840 9.0840 9.1200 9.1200 9.2673 9.2673 10.9271 10.9271 10.9514 10.9514 12.3881 12.3881 12.7601 12.7601 12.9621 12.9621 13.0570 13.0570 13.1709 13.1709 k = 0.0000 0.0000 0.1000 ( 4844 PWs) bands (ev): -1.9287 -1.9287 -1.0687 -1.0687 -0.0759 -0.0759 4.0566 4.0566 5.3439 5.3439 6.0779 6.0779 6.1427 6.1427 6.3810 6.3810 6.8996 6.8996 7.3020 7.3020 7.5033 7.5033 7.6325 7.6325 7.6505 7.6505 8.3459 8.3459 8.4089 8.4089 8.5396 8.5396 8.5519 8.5519 8.8301 8.8301 8.8908 8.8908 9.0538 9.0538 9.0891 9.0891 9.3060 9.3060 10.9427 10.9427 10.9685 10.9685 12.3717 12.3717 12.6982 12.6982 12.9595 12.9595 13.0595 13.0595 13.1695 13.1695 k = 0.0000 0.0000 0.1111 ( 4828 PWs) bands (ev): -1.9160 -1.9160 -1.1057 -1.1057 -0.0433 -0.0433 4.0180 4.0180 5.3775 5.3775 6.0774 6.0774 6.1424 6.1424 6.3810 6.3810 6.8934 6.8934 7.3098 7.3098 7.5225 7.5225 7.6331 7.6331 7.6831 7.6831 8.3184 8.3184 8.4043 8.4043 8.5615 8.5615 8.5725 8.5725 8.7741 8.7741 8.8904 8.8904 9.0221 9.0221 9.0567 9.0567 9.3421 9.3421 10.9578 10.9578 10.9850 10.9850 12.3555 12.3555 12.6424 12.6424 12.9570 12.9570 13.0619 13.0619 13.1682 13.1682 k = 0.0000 0.0000 0.1222 ( 4828 PWs) bands (ev): -1.9033 -1.9033 -1.1401 -1.1401 -0.0138 -0.0138 3.9830 3.9830 5.4077 5.4077 6.0769 6.0769 6.1421 6.1421 6.3810 6.3810 6.8878 6.8878 7.3175 7.3175 7.5352 7.5352 7.6335 7.6335 7.7244 7.7244 8.2911 8.2911 8.4025 8.4025 8.5851 8.5851 8.5949 8.5949 8.7157 8.7157 8.8902 8.8902 8.9894 8.9894 9.0235 9.0235 9.3748 9.3748 10.9720 10.9720 11.0005 11.0005 12.3399 12.3399 12.5933 12.5933 12.9548 12.9548 13.0640 13.0640 13.1669 13.1669 k = 0.0000 0.0000 0.1333 ( 4848 PWs) bands (ev): -1.8909 -1.8909 -1.1711 -1.1711 0.0121 0.0121 3.9522 3.9522 5.4338 5.4338 6.0764 6.0764 6.1418 6.1418 6.3810 6.3810 6.8829 6.8829 7.3247 7.3247 7.5432 7.5432 7.6339 7.6339 7.7711 7.7711 8.2661 8.2661 8.4017 8.4017 8.6099 8.6099 8.6187 8.6187 8.6570 8.6570 8.8899 8.8899 8.9561 8.9561 8.9901 8.9901 9.4035 9.4035 10.9848 10.9848 11.0145 11.0145 12.3256 12.3256 12.5512 12.5512 12.9528 12.9528 13.0658 13.0658 13.1657 13.1657 k = 0.0000 0.0000 0.1444 ( 4840 PWs) bands (ev): -1.8795 -1.8795 -1.1980 -1.1980 0.0339 0.0339 3.9261 3.9261 5.4558 5.4558 6.0761 6.0761 6.1416 6.1416 6.3810 6.3810 6.8788 6.8788 7.3312 7.3312 7.5483 7.5483 7.6343 7.6343 7.8199 7.8199 8.2446 8.2446 8.4013 8.4013 8.5978 8.5978 8.6378 8.6378 8.6434 8.6434 8.8892 8.8892 8.9233 8.9233 8.9573 8.9573 9.4278 9.4278 10.9959 10.9959 11.0266 11.0266 12.3131 12.3131 12.5165 12.5165 12.9511 12.9511 13.0674 13.0674 13.1647 13.1647 k = 0.0000 0.0000 0.1555 ( 4836 PWs) bands (ev): -1.8697 -1.8697 -1.2199 -1.2199 0.0513 0.0513 3.9054 3.9054 5.4731 5.4731 6.0758 6.0758 6.1414 6.1414 6.3811 6.3811 6.8756 6.8756 7.3366 7.3366 7.5516 7.5516 7.6346 7.6346 7.8670 7.8670 8.2273 8.2273 8.4012 8.4012 8.5447 8.5447 8.6643 8.6643 8.6679 8.6679 8.8831 8.8831 8.8967 8.8967 8.9262 8.9262 9.4472 9.4472 11.0048 11.0048 11.0363 11.0363 12.3028 12.3028 12.4892 12.4892 12.9498 12.9498 13.0686 13.0686 13.1638 13.1638 k = 0.0000 0.0000 0.1666 ( 4836 PWs) bands (ev): -1.8622 -1.8622 -1.2362 -1.2362 0.0639 0.0639 3.8903 3.8903 5.4856 5.4856 6.0756 6.0756 6.1413 6.1413 6.3811 6.3811 6.8733 6.8733 7.3407 7.3407 7.5536 7.5536 7.6348 7.6348 7.9078 7.9078 8.2145 8.2145 8.4011 8.4011 8.4996 8.4996 8.6906 8.6906 8.6906 8.6906 8.8573 8.8573 8.8920 8.8920 8.8988 8.8988 9.4614 9.4614 11.0114 11.0114 11.0435 11.0435 12.2951 12.2951 12.4696 12.4696 12.9489 12.9489 13.0695 13.0695 13.1632 13.1632 k = 0.0000 0.0000 0.1777 ( 4832 PWs) bands (ev): -1.8573 -1.8573 -1.2463 -1.2463 0.0716 0.0716 3.8811 3.8811 5.4932 5.4932 6.0754 6.0754 6.1412 6.1412 6.3811 6.3811 6.8719 6.8719 7.3433 7.3433 7.5547 7.5547 7.6349 7.6349 7.9364 7.9364 8.2068 8.2068 8.4010 8.4010 8.4684 8.4684 8.7080 8.7080 8.7130 8.7130 8.8329 8.8329 8.8785 8.8785 8.8914 8.8914 9.4700 9.4700 11.0155 11.0155 11.0479 11.0479 12.2904 12.2904 12.4578 12.4578 12.9483 12.9483 13.0700 13.0700 13.1628 13.1628 k = 0.0000 0.0000 0.1888 ( 4832 PWs) bands (ev): -1.8557 -1.8557 -1.2497 -1.2497 0.0742 0.0742 3.8781 3.8781 5.4957 5.4957 6.0754 6.0754 6.1412 6.1412 6.3811 6.3811 6.8714 6.8714 7.3442 7.3442 7.5550 7.5550 7.6350 7.6350 7.9469 7.9469 8.2042 8.2042 8.4010 8.4010 8.4570 8.4570 8.7149 8.7149 8.7230 8.7230 8.8221 8.8221 8.8706 8.8706 8.8913 8.8913 9.4728 9.4728 11.0168 11.0168 11.0494 11.0494 12.2888 12.2888 12.4539 12.4539 12.9481 12.9481 13.0702 13.0702 13.1626 13.1626 k = 0.0000 0.0000 0.1888 ( 4832 PWs) bands (ev): -1.8557 -1.8557 -1.2497 -1.2497 0.0742 0.0742 3.8781 3.8781 5.4957 5.4957 6.0754 6.0754 6.1412 6.1412 6.3811 6.3811 6.8714 6.8714 7.3442 7.3442 7.5550 7.5550 7.6350 7.6350 7.9469 7.9469 8.2042 8.2042 8.4010 8.4010 8.4570 8.4570 8.7149 8.7149 8.7230 8.7230 8.8221 8.8221 8.8706 8.8706 8.8913 8.8913 9.4728 9.4728 11.0168 11.0168 11.0494 11.0494 12.2888 12.2888 12.4539 12.4539 12.9481 12.9481 13.0702 13.0702 13.1626 13.1626 k = 0.0000 0.0111 0.1888 ( 4832 PWs) bands (ev): -1.8545 -1.8545 -1.2485 -1.2485 0.0749 0.0749 3.8796 3.8796 5.4962 5.4962 6.0747 6.0747 6.1405 6.1405 6.3816 6.3816 6.8718 6.8718 7.3389 7.3389 7.5551 7.5551 7.6341 7.6341 7.9509 7.9509 8.1867 8.1867 8.3998 8.3998 8.4560 8.4560 8.7185 8.7185 8.7307 8.7307 8.8125 8.8125 8.8538 8.8538 8.9137 8.9137 9.4753 9.4753 11.0136 11.0136 11.0461 11.0461 12.2977 12.2977 12.4585 12.4585 12.9297 12.9297 13.0739 13.0739 13.1672 13.1672 k = 0.0000 0.0222 0.1888 ( 4828 PWs) bands (ev): -1.8511 -1.8511 -1.2446 -1.2446 0.0773 0.0773 3.8841 3.8841 5.4977 5.4977 6.0727 6.0727 6.1386 6.1386 6.3833 6.3833 6.8730 6.8730 7.3237 7.3237 7.5552 7.5552 7.6316 7.6316 7.9625 7.9625 8.1368 8.1368 8.3968 8.3968 8.4548 8.4548 8.7225 8.7225 8.7548 8.7548 8.7884 8.7884 8.8347 8.8347 8.9457 8.9457 9.4824 9.4824 11.0041 11.0041 11.0364 11.0364 12.3224 12.3224 12.4737 12.4737 12.8851 12.8851 13.0834 13.0834 13.1624 13.1624 k = 0.0000 0.0333 0.1888 ( 4832 PWs) bands (ev): -1.8454 -1.8454 -1.2382 -1.2382 0.0811 0.0811 3.8915 3.8915 5.5002 5.5002 6.0687 6.0687 6.1358 6.1358 6.3860 6.3860 6.8750 6.8750 7.2998 7.2998 7.5546 7.5546 7.6275 7.6275 7.9809 7.9809 8.0611 8.0611 8.3928 8.3928 8.4555 8.4555 8.7273 8.7273 8.7532 8.7532 8.7913 8.7913 8.8139 8.8139 8.9786 8.9786 9.4935 9.4935 10.9887 10.9887 11.0216 11.0216 12.3562 12.3562 12.5045 12.5045 12.8284 12.8284 13.0945 13.0945 13.1404 13.1404 k = 0.0000 0.0444 0.1888 ( 4844 PWs) bands (ev): -1.8373 -1.8373 -1.2293 -1.2293 0.0865 0.0865 3.9020 3.9020 5.5036 5.5036 6.0624 6.0624 6.1329 6.1329 6.3898 6.3898 6.8775 6.8775 7.2686 7.2686 7.5527 7.5527 7.6219 7.6219 7.9665 7.9665 8.0049 8.0049 8.3880 8.3880 8.4584 8.4584 8.7174 8.7174 8.7370 8.7370 8.7889 8.7889 8.8235 8.8235 9.0114 9.0114 9.5081 9.5081 10.9672 10.9672 11.0041 11.0041 12.3900 12.3900 12.5573 12.5573 12.7665 12.7665 13.0800 13.0800 13.1353 13.1353 k = 0.0000 0.0556 0.1888 ( 4860 PWs) bands (ev): -1.8271 -1.8271 -1.2179 -1.2179 0.0934 0.0934 3.9153 3.9153 5.5078 5.5078 6.0530 6.0530 6.1305 6.1305 6.3946 6.3946 6.8805 6.8805 7.2315 7.2315 7.5492 7.5492 7.6150 7.6150 7.8583 7.8583 8.0331 8.0331 8.3826 8.3826 8.4630 8.4630 8.6835 8.6835 8.7453 8.7453 8.7605 8.7605 8.8527 8.8527 9.0435 9.0435 9.5251 9.5251 10.9392 10.9392 10.9864 10.9864 12.4188 12.4188 12.6317 12.6317 12.7054 12.7054 13.0333 13.0333 13.1582 13.1582 k = 0.0000 0.0667 0.1888 ( 4862 PWs) bands (ev): -1.8145 -1.8145 -1.2039 -1.2039 0.1019 0.1019 3.9317 3.9317 5.5128 5.5128 6.0401 6.0401 6.1291 6.1291 6.4005 6.4005 6.8835 6.8835 7.1896 7.1896 7.5439 7.5439 7.6069 7.6069 7.7403 7.7403 8.0644 8.0644 8.3763 8.3763 8.4689 8.4689 8.6486 8.6486 8.7292 8.7292 8.7565 8.7565 8.8766 8.8766 9.0748 9.0748 9.5439 9.5439 10.9050 10.9050 10.9708 10.9708 12.4442 12.4442 12.6308 12.6308 12.7393 12.7393 12.9765 12.9765 13.1893 13.1893 k = 0.0000 0.0778 0.1888 ( 4862 PWs) bands (ev): -1.7997 -1.7997 -1.1875 -1.1875 0.1118 0.1118 3.9509 3.9509 5.5185 5.5185 6.0236 6.0236 6.1289 6.1289 6.4076 6.4076 6.8861 6.8861 7.1436 7.1436 7.5366 7.5366 7.5976 7.5976 7.6154 7.6154 8.0975 8.0975 8.3690 8.3690 8.4752 8.4752 8.6139 8.6139 8.6969 8.6969 8.7697 8.7697 8.8945 8.8945 9.1049 9.1049 9.5638 9.5638 10.8653 10.8653 10.9585 10.9585 12.4682 12.4682 12.5682 12.5682 12.8507 12.8507 12.9149 12.9149 13.2252 13.2252 k = 0.0000 0.0889 0.1888 ( 4862 PWs) bands (ev): -1.7827 -1.7827 -1.1686 -1.1686 0.1233 0.1233 3.9730 3.9730 5.5248 5.5248 6.0037 6.0037 6.1298 6.1298 6.4156 6.4156 6.8871 6.8871 7.0942 7.0942 7.4843 7.4843 7.5291 7.5291 7.5875 7.5875 8.1311 8.1311 8.3605 8.3605 8.4809 8.4809 8.5803 8.5803 8.6649 8.6649 8.7850 8.7850 8.9064 8.9064 9.1338 9.1338 9.5842 9.5842 10.8212 10.8212 10.9502 10.9502 12.4875 12.4875 12.5099 12.5099 12.8495 12.8495 12.9761 12.9761 13.2648 13.2648 k = 0.0000 0.1000 0.1888 ( 4866 PWs) bands (ev): -1.7636 -1.7636 -1.1474 -1.1474 0.1363 0.1363 3.9979 3.9979 5.5314 5.5314 5.9806 5.9806 6.1317 6.1317 6.4247 6.4247 6.8846 6.8846 7.0417 7.0417 7.3541 7.3541 7.5180 7.5180 7.5761 7.5761 8.1636 8.1636 8.3507 8.3507 8.4837 8.4837 8.5497 8.5497 8.6351 8.6351 8.8022 8.8022 8.9131 8.9131 9.1613 9.1613 9.6046 9.6046 10.7736 10.7736 10.9464 10.9464 12.4394 12.4394 12.5211 12.5211 12.7832 12.7832 13.1095 13.1095 13.3074 13.3074 k = 0.0000 0.1111 0.1888 ( 4862 PWs) bands (ev): -1.7422 -1.7422 -1.1238 -1.1238 0.1507 0.1507 4.0255 4.0255 5.5382 5.5382 5.9545 5.9545 6.1345 6.1345 6.4347 6.4347 6.8735 6.8735 6.9865 6.9865 7.2285 7.2285 7.5058 7.5058 7.5639 7.5639 8.1933 8.1933 8.3395 8.3395 8.4773 8.4773 8.5278 8.5278 8.6098 8.6098 8.8213 8.8213 8.9156 8.9156 9.1871 9.1871 9.6246 9.6246 10.7233 10.7233 10.9476 10.9476 12.3796 12.3796 12.5466 12.5466 12.7170 12.7170 13.2485 13.2485 13.3526 13.3526 k = 0.0000 0.1222 0.1888 ( 4854 PWs) bands (ev): -1.7188 -1.7188 -1.0979 -1.0979 0.1666 0.1666 4.0559 4.0559 5.5450 5.5450 5.9254 5.9254 6.1380 6.1380 6.4458 6.4458 6.8420 6.8420 6.9278 6.9278 7.1219 7.1219 7.4921 7.4921 7.5508 7.5508 8.2176 8.2176 8.3267 8.3267 8.4560 8.4560 8.5196 8.5196 8.5916 8.5916 8.8422 8.8422 8.9152 8.9152 9.2112 9.2112 9.6438 9.6438 10.6708 10.6708 10.9539 10.9539 12.3219 12.3219 12.5703 12.5703 12.6545 12.6545 13.3833 13.3834 13.4072 13.4072 k = 0.0000 0.1333 0.1888 ( 4856 PWs) bands (ev): -1.6932 -1.6932 -1.0698 -1.0698 0.1839 0.1839 4.0889 4.0889 5.5515 5.5515 5.8936 5.8936 6.1420 6.1420 6.4576 6.4576 6.7705 6.7705 6.8656 6.8656 7.0551 7.0551 7.4769 7.4769 7.5371 7.5371 8.2338 8.2338 8.3123 8.3123 8.4272 8.4272 8.5168 8.5168 8.5833 8.5833 8.8649 8.8649 8.9137 8.9137 9.2333 9.2333 9.6619 9.6619 10.6170 10.6170 10.9654 10.9654 12.2670 12.2670 12.5621 12.5621 12.6258 12.6258 13.4434 13.4434 13.5380 13.5380 k = 0.0000 0.1444 0.1888 ( 4848 PWs) bands (ev): -1.6657 -1.6657 -1.0396 -1.0396 0.2028 0.2028 4.1244 4.1244 5.5572 5.5572 5.8592 5.8592 6.1467 6.1467 6.4703 6.4703 6.6574 6.6574 6.8039 6.8039 7.0272 7.0272 7.4603 7.4603 7.5227 7.5227 8.2392 8.2392 8.2968 8.2968 8.3967 8.3967 8.5125 8.5125 8.5869 8.5869 8.8887 8.8887 8.9133 8.9133 9.2533 9.2533 9.6784 9.6784 10.5622 10.5622 10.9822 10.9822 12.2153 12.2153 12.5052 12.5052 12.6482 12.6482 13.4916 13.4916 13.6272 13.6272 k = 0.0000 0.1556 0.1888 ( 4840 PWs) bands (ev): -1.6361 -1.6361 -1.0073 -1.0073 0.2230 0.2230 4.1624 4.1624 5.5617 5.5617 5.8219 5.8219 6.1518 6.1518 6.4836 6.4836 6.5228 6.5228 6.7429 6.7429 7.0195 7.0195 7.4424 7.4424 7.5081 7.5081 8.2328 8.2328 8.2810 8.2810 8.3668 8.3668 8.5041 8.5041 8.6023 8.6023 8.9082 8.9082 8.9212 8.9212 9.2711 9.2711 9.6932 9.6932 10.5071 10.5071 11.0040 11.0040 12.1673 12.1673 12.4415 12.4415 12.6794 12.6794 13.5203 13.5203 13.5528 13.5528 k = 0.0000 0.1667 0.1888 ( 4848 PWs) bands (ev): -1.6046 -1.6046 -0.9731 -0.9731 0.2447 0.2447 4.2025 4.2025 5.5643 5.5643 5.7817 5.7817 6.1574 6.1574 6.3793 6.3793 6.4975 6.4975 6.6828 6.6828 7.0204 7.0204 7.4232 7.4232 7.4932 7.4932 8.2164 8.2164 8.2643 8.2643 8.3383 8.3383 8.4903 8.4903 8.6273 8.6273 8.9159 8.9159 8.9461 8.9461 9.2866 9.2866 9.7060 9.7060 10.4521 10.4521 11.0307 11.0307 12.1230 12.1230 12.3771 12.3771 12.7131 12.7131 13.4314 13.4314 13.5923 13.5923 k = 0.0000 0.1778 0.1888 ( 4848 PWs) bands (ev): -1.5712 -1.5712 -0.9370 -0.9370 0.2678 0.2678 4.2447 4.2447 5.5645 5.5645 5.7383 5.7383 6.1629 6.1629 6.2338 6.2338 6.5102 6.5102 6.6257 6.6257 7.0255 7.0255 7.4028 7.4028 7.4783 7.4783 8.1937 8.1937 8.2454 8.2454 8.3120 8.3120 8.4708 8.4708 8.6591 8.6591 8.9252 8.9252 8.9750 8.9750 9.2996 9.2996 9.7166 9.7166 10.3977 10.3977 11.0619 11.0619 12.0827 12.0827 12.3124 12.3124 12.7485 12.7485 13.3369 13.3369 13.6399 13.6399 k = 0.0000 0.1889 0.1888 ( 4842 PWs) bands (ev): -1.5360 -1.5360 -0.8992 -0.8992 0.2924 0.2924 4.2887 4.2887 5.5612 5.5612 5.6909 5.6909 6.0874 6.0874 6.1705 6.1705 6.5153 6.5153 6.5791 6.5791 7.0329 7.0329 7.3815 7.3815 7.4636 7.4636 8.1673 8.1673 8.2237 8.2237 8.2878 8.2878 8.4460 8.4460 8.6950 8.6950 8.9388 8.9388 9.0056 9.0056 9.3102 9.3102 9.7249 9.7249 10.3444 10.3444 11.0975 11.0975 12.0466 12.0466 12.2469 12.2469 12.7851 12.7851 13.2479 13.2479 13.6872 13.6872 k = 0.0000 0.2000 0.1888 ( 4842 PWs) bands (ev): -1.4990 -1.4990 -0.8598 -0.8598 0.3185 0.3185 4.3341 4.3341 5.5531 5.5531 5.6378 5.6378 5.9470 5.9470 6.1767 6.1767 6.4906 6.4906 6.5667 6.5667 7.0415 7.0415 7.3592 7.3592 7.4492 7.4492 8.1390 8.1390 8.1993 8.1993 8.2655 8.2655 8.4165 8.4165 8.7329 8.7329 8.9565 8.9565 9.0374 9.0374 9.3184 9.3184 9.7311 9.7311 10.2925 10.2925 11.1369 11.1369 12.0145 12.0145 12.1798 12.1798 12.8228 12.8228 13.1675 13.1675 13.7332 13.7333 k = 0.0000 0.2111 0.1888 ( 4834 PWs) bands (ev): -1.4604 -1.4604 -0.8190 -0.8190 0.3461 0.3461 4.3802 4.3802 5.5364 5.5364 5.5775 5.5775 5.8166 5.8166 6.1833 6.1833 6.4478 6.4478 6.5783 6.5783 7.0508 7.0508 7.3363 7.3363 7.4355 7.4355 8.1095 8.1095 8.1732 8.1732 8.2442 8.2442 8.3834 8.3834 8.7710 8.7710 8.9779 8.9779 9.0701 9.0701 9.3240 9.3240 9.7354 9.7354 10.2428 10.2428 11.1799 11.1799 11.9863 11.9863 12.1102 12.1102 12.8613 12.8613 13.0981 13.0981 13.7223 13.7223 k = 0.0000 0.2222 0.1888 ( 4836 PWs) bands (ev): -1.4202 -1.4202 -0.7771 -0.7771 0.3752 0.3752 4.4260 4.4260 5.4819 5.4819 5.5312 5.5312 5.7050 5.7050 6.1898 6.1898 6.4066 6.4066 6.5953 6.5953 7.0603 7.0603 7.3129 7.3129 7.4224 7.4224 8.0792 8.0792 8.1462 8.1462 8.2233 8.2233 8.3477 8.3477 8.8077 8.8077 9.0026 9.0026 9.1033 9.1033 9.3271 9.3271 9.7383 9.7383 10.1955 10.1955 11.2258 11.2258 11.9612 11.9612 12.0382 12.0382 12.9003 12.9003 13.0421 13.0421 13.7026 13.7026 k = 0.0000 0.2333 0.1888 ( 4836 PWs) bands (ev): -1.3784 -1.3784 -0.7342 -0.7342 0.4060 0.4060 4.4699 4.4699 5.3828 5.3828 5.5021 5.5021 5.6173 5.6173 6.1961 6.1961 6.3718 6.3718 6.6143 6.6143 7.0696 7.0696 7.2894 7.2894 7.4101 7.4101 8.0484 8.0484 8.1188 8.1188 8.2022 8.2022 8.3103 8.3103 8.8415 8.8415 9.0298 9.0298 9.1367 9.1367 9.3279 9.3279 9.7408 9.7408 10.1515 10.1515 11.2744 11.2744 11.9327 11.9327 11.9694 11.9694 12.9388 12.9388 13.0016 13.0016 13.6768 13.6768 k = 0.0000 0.2444 0.1888 ( 4844 PWs) bands (ev): -1.3352 -1.3352 -0.6905 -0.6905 0.4385 0.4385 4.5086 4.5086 5.2700 5.2700 5.4684 5.4684 5.5475 5.5475 6.2018 6.2018 6.3451 6.3451 6.6345 6.6345 7.0781 7.0781 7.2664 7.2664 7.3988 7.3988 8.0170 8.0170 8.0913 8.0913 8.1804 8.1804 8.2724 8.2724 8.8708 8.8708 9.0592 9.0592 9.1696 9.1696 9.3265 9.3265 9.7439 9.7439 10.1113 10.1113 11.3250 11.3250 11.8694 11.8694 11.9351 11.9351 12.9617 12.9617 12.9923 12.9923 13.6451 13.6451 k = 0.0000 0.2556 0.1888 ( 4846 PWs) bands (ev): -1.2907 -1.2907 -0.6465 -0.6465 0.4728 0.4728 4.5357 4.5357 5.1608 5.1608 5.4285 5.4285 5.4869 5.4869 6.2070 6.2070 6.3269 6.3269 6.6556 6.6556 7.0849 7.0849 7.2448 7.2448 7.3886 7.3886 7.9854 7.9854 8.0639 8.0639 8.1578 8.1578 8.2347 8.2347 8.8938 8.8938 9.0904 9.0904 9.2014 9.2014 9.3229 9.3229 9.7491 9.7491 10.0758 10.0758 11.3771 11.3771 11.7871 11.7871 11.9196 11.9196 12.9553 12.9553 13.0276 13.0276 13.6082 13.6082 k = 0.0000 0.2667 0.1888 ( 4842 PWs) bands (ev): -1.2450 -1.2450 -0.6023 -0.6023 0.5091 0.5091 4.5395 4.5395 5.0725 5.0725 5.3831 5.3831 5.4300 5.4300 6.2117 6.2117 6.3168 6.3168 6.6776 6.6776 7.0887 7.0887 7.2260 7.2260 7.3797 7.3797 7.9534 7.9534 8.0366 8.0366 8.1338 8.1338 8.1981 8.1981 8.9090 8.9090 9.1229 9.1229 9.2313 9.2313 9.3175 9.3175 9.7579 9.7579 10.0460 10.0460 11.4299 11.4299 11.7006 11.7006 11.9086 11.9086 12.9576 12.9576 13.0688 13.0688 13.5668 13.5668 k = 0.0000 0.2778 0.1888 ( 4852 PWs) bands (ev): -1.1982 -1.1982 -0.5584 -0.5584 0.5474 0.5474 4.5051 4.5051 5.0227 5.0227 5.3332 5.3332 5.3744 5.3744 6.2164 6.2164 6.3137 6.3137 6.7003 6.7003 7.0874 7.0874 7.2119 7.2119 7.3721 7.3721 7.9211 7.9211 8.0092 8.0092 8.1081 8.1081 8.1636 8.1636 8.9147 8.9147 9.1567 9.1567 9.2581 9.2581 9.3105 9.3105 9.7716 9.7716 10.0230 10.0230 11.4826 11.4826 11.6125 11.6125 11.9002 11.9002 12.9722 12.9722 13.1112 13.1112 13.5219 13.5219 k = 0.0000 0.2889 0.1888 ( 4860 PWs) bands (ev): -1.1503 -1.1503 -0.5151 -0.5151 0.5881 0.5881 4.4283 4.4283 5.0168 5.0168 5.2802 5.2802 5.3192 5.3192 6.2219 6.2219 6.3158 6.3158 6.7236 6.7236 7.0794 7.0794 7.2042 7.2042 7.3660 7.3660 7.8886 7.8886 7.9817 7.9817 8.0806 8.0806 8.1318 8.1318 8.9101 8.9101 9.1913 9.1913 9.2805 9.2805 9.3023 9.3023 9.7915 9.7915 10.0079 10.0079 11.5204 11.5204 11.5383 11.5383 11.8931 11.8931 12.9984 12.9984 13.1543 13.1543 13.4746 13.4746 k = 0.0000 0.3000 0.1888 ( 4858 PWs) bands (ev): -1.1017 -1.1017 -0.4729 -0.4729 0.6312 0.6312 4.3213 4.3213 5.0430 5.0430 5.2248 5.2248 5.2646 5.2646 6.2287 6.2287 6.3218 6.3218 6.7475 6.7475 7.0647 7.0647 7.2030 7.2030 7.3617 7.3617 7.8562 7.8562 7.9539 7.9539 8.0515 8.0515 8.1027 8.1027 8.8947 8.8947 9.2265 9.2265 9.2907 9.2907 9.3005 9.3005 9.8177 9.8177 10.0018 10.0018 11.4358 11.4358 11.5855 11.5855 11.8865 11.8865 13.0348 13.0348 13.1981 13.1981 13.4263 13.4263 k = 0.0000 0.3111 0.1888 ( 4858 PWs) bands (ev): -1.0523 -1.0523 -0.4322 -0.4322 0.6771 0.6771 4.1977 4.1977 5.0874 5.0874 5.1682 5.1682 5.2109 5.2109 6.2368 6.2368 6.3304 6.3304 6.7718 6.7718 7.0451 7.0451 7.2065 7.2065 7.3591 7.3591 7.8238 7.8238 7.9256 7.9256 8.0220 8.0220 8.0758 8.0758 8.8688 8.8688 9.2600 9.2600 9.2839 9.2839 9.3113 9.3113 9.8502 9.8502 10.0056 10.0056 11.3506 11.3506 11.6326 11.6326 11.8793 11.8793 13.0802 13.0802 13.2425 13.2425 13.3785 13.3785 k = 0.0000 0.3222 0.1888 ( 4852 PWs) bands (ev): -1.0024 -1.0024 -0.3935 -0.3935 0.7260 0.7260 4.0660 4.0660 5.1069 5.1069 5.1432 5.1432 5.1616 5.1616 6.2462 6.2462 6.3407 6.3407 6.7963 6.7963 7.0227 7.0227 7.2127 7.2127 7.3585 7.3585 7.7917 7.7917 7.8967 7.8967 7.9929 7.9929 8.0504 8.0504 8.8333 8.8333 9.2657 9.2657 9.3038 9.3038 9.3171 9.3171 9.8881 9.8881 10.0195 10.0195 11.2685 11.2685 11.6756 11.6756 11.8703 11.8703 13.1331 13.1331 13.2865 13.2865 13.3344 13.3344 k = 0.0000 0.3333 0.1888 ( 4850 PWs) bands (ev): -0.9521 -0.9521 -0.3572 -0.3572 0.7781 0.7781 3.9304 3.9304 5.0510 5.0510 5.1053 5.1053 5.2083 5.2083 6.2566 6.2566 6.3523 6.3523 6.8207 6.8207 6.9991 6.9991 7.2201 7.2201 7.3599 7.3599 7.7601 7.7601 7.8673 7.8673 7.9649 7.9649 8.0259 8.0259 8.7892 8.7892 9.2551 9.2551 9.3171 9.3171 9.3401 9.3401 9.9300 9.9300 10.0433 10.0433 11.1906 11.1906 11.7131 11.7131 11.8584 11.8584 13.1917 13.1917 13.2867 13.2867 13.3398 13.3398 k = 0.0000 0.3444 0.1888 ( 4850 PWs) bands (ev): -0.9015 -0.9015 -0.3237 -0.3237 0.8337 0.8337 3.7932 3.7932 4.9947 4.9947 5.0552 5.0552 5.2740 5.2740 6.2675 6.2675 6.3648 6.3648 6.8440 6.8440 6.9760 6.9760 7.2279 7.2279 7.3634 7.3634 7.7292 7.7292 7.8374 7.8374 7.9385 7.9385 8.0021 8.0021 8.7380 8.7380 9.2432 9.2432 9.3122 9.3122 9.3779 9.3779 9.9745 9.9745 10.0763 10.0763 11.1180 11.1180 11.7435 11.7435 11.8425 11.8425 13.2393 13.2393 13.2675 13.2675 13.3877 13.3877 k = 0.0000 0.3556 0.1888 ( 4850 PWs) bands (ev): -0.8509 -0.8509 -0.2936 -0.2936 0.8929 0.8929 3.6557 3.6557 4.9403 4.9403 5.0064 5.0064 5.3427 5.3427 6.2785 6.2785 6.3779 6.3779 6.8638 6.8638 6.9562 6.9562 7.2357 7.2357 7.3688 7.3688 7.6993 7.6993 7.8075 7.8075 7.9136 7.9136 7.9790 7.9790 8.6809 8.6809 9.2312 9.2312 9.3033 9.3033 9.4164 9.4164 10.0198 10.0198 10.1173 10.1173 11.0520 11.0520 11.7650 11.7650 11.8220 11.8220 13.2159 13.2159 13.3280 13.3280 13.4396 13.4396 k = 0.0000 0.3667 0.1888 ( 4854 PWs) bands (ev): -0.8005 -0.8005 -0.2672 -0.2672 0.9559 0.9559 3.5187 3.5187 4.8885 4.8885 4.9590 4.9590 5.4133 5.4133 6.2892 6.2892 6.3915 6.3915 6.8728 6.8728 6.9474 6.9474 7.2432 7.2432 7.3759 7.3759 7.6704 7.6704 7.7777 7.7777 7.8903 7.8903 7.9565 7.9565 8.6193 8.6193 9.2194 9.2194 9.2916 9.2916 9.4553 9.4553 10.0635 10.0635 10.1652 10.1652 10.9943 10.9943 11.7723 11.7723 11.8003 11.8003 13.1931 13.1931 13.3977 13.3977 13.4948 13.4948 k = 0.0000 0.3778 0.1888 ( 4854 PWs) bands (ev): -0.7505 -0.7505 -0.2448 -0.2448 1.0229 1.0229 3.3827 3.3827 4.8400 4.8400 4.9134 4.9134 5.4848 5.4848 6.2990 6.2990 6.4053 6.4053 6.8638 6.8638 6.9571 6.9571 7.2504 7.2504 7.3843 7.3843 7.6431 7.6431 7.7485 7.7485 7.8685 7.8685 7.9348 7.9348 8.5543 8.5543 9.2080 9.2080 9.2780 9.2780 9.4946 9.4946 10.1034 10.1034 10.2190 10.2190 10.9467 10.9467 11.7501 11.7501 11.7910 11.7910 13.1782 13.1782 13.4687 13.4687 13.5538 13.5538 k = 0.0000 0.3889 0.1888 ( 4848 PWs) bands (ev): -0.7010 -0.7010 -0.2267 -0.2267 1.0940 1.0940 3.2480 3.2480 4.7951 4.7951 4.8699 4.8699 5.5568 5.5568 6.3073 6.3073 6.4196 6.4196 6.8438 6.8438 6.9781 6.9781 7.2573 7.2573 7.3931 7.3931 7.6175 7.6175 7.7207 7.7207 7.8482 7.8482 7.9142 7.9142 8.4871 8.4871 9.1973 9.1973 9.2634 9.2634 9.5343 9.5343 10.1363 10.1363 10.2778 10.2778 10.9118 10.9118 11.7100 11.7100 11.7820 11.7820 13.1722 13.1722 13.5395 13.5395 13.6166 13.6166 k = 0.0000 0.4000 0.1888 ( 4850 PWs) bands (ev): -0.6524 -0.6524 -0.2131 -0.2131 1.1691 1.1691 3.1149 3.1149 4.7544 4.7544 4.8287 4.8287 5.6285 5.6285 6.3135 6.3135 6.4342 6.4342 6.8200 6.8200 7.0032 7.0032 7.2639 7.2639 7.4014 7.4014 7.5938 7.5938 7.6952 7.6952 7.8292 7.8292 7.8949 7.8949 8.4187 8.4187 9.1875 9.1875 9.2484 9.2484 9.5743 9.5743 10.1595 10.1595 10.3408 10.3408 10.8920 10.8920 11.6613 11.6613 11.7642 11.7642 13.1750 13.1750 13.6089 13.6089 13.6824 13.6824 k = 0.0000 0.4111 0.1888 ( 4850 PWs) bands (ev): -0.6048 -0.6048 -0.2041 -0.2041 1.2483 1.2483 2.9837 2.9837 4.7180 4.7180 4.7900 4.7900 5.6996 5.6996 6.3168 6.3168 6.4494 6.4494 6.7950 6.7950 7.0300 7.0300 7.2703 7.2703 7.4078 7.4078 7.5722 7.5722 7.6733 7.6733 7.8117 7.8117 7.8774 7.8774 8.3501 8.3501 9.1786 9.1786 9.2337 9.2337 9.6146 9.6146 10.1704 10.1704 10.4073 10.4073 10.8891 10.8891 11.6056 11.6056 11.7368 11.7368 13.1864 13.1864 13.6754 13.6754 13.7473 13.7473 k = 0.0000 0.4222 0.1888 ( 4852 PWs) bands (ev): -0.5586 -0.5586 -0.1998 -0.1998 1.3316 1.3316 2.8546 2.8546 4.6864 4.6864 4.7542 4.7542 5.7693 5.7693 6.3165 6.3165 6.4652 6.4652 6.7697 6.7697 7.0577 7.0577 7.2763 7.2763 7.4112 7.4112 7.5520 7.5520 7.6571 7.6571 7.7954 7.7954 7.8621 7.8621 8.2822 8.2822 9.1709 9.1709 9.2196 9.2196 9.6552 9.6552 10.1684 10.1684 10.4769 10.4769 10.9033 10.9033 11.5439 11.5439 11.7004 11.7004 13.2056 13.2056 13.7367 13.7367 13.7845 13.7846 k = 0.0000 0.4333 0.1888 ( 4856 PWs) bands (ev): -0.5139 -0.5139 -0.2002 -0.2002 1.4188 1.4188 2.7275 2.7275 4.6597 4.6597 4.7215 4.7215 5.8372 5.8372 6.3120 6.3120 6.4819 6.4819 6.7443 6.7443 7.0856 7.0856 7.2815 7.2815 7.4110 7.4110 7.5323 7.5323 7.6485 7.6485 7.7804 7.7804 7.8498 7.8498 8.2160 8.2160 9.1644 9.1644 9.2064 9.2064 9.6961 9.6961 10.1545 10.1545 10.5492 10.5492 10.9331 10.9331 11.4771 11.4771 11.6560 11.6560 13.2318 13.2318 13.7858 13.7858 13.7981 13.7981 k = 0.0000 0.4444 0.1888 ( 4854 PWs) bands (ev): -0.4711 -0.4711 -0.2052 -0.2052 1.5098 1.5098 2.6028 2.6028 4.6380 4.6380 4.6923 4.6923 5.9025 5.9025 6.3026 6.3026 6.4994 6.4994 6.7192 6.7192 7.1135 7.1135 7.2852 7.2852 7.4078 7.4078 7.5123 7.5123 7.6483 7.6483 7.7665 7.7665 7.8414 7.8414 8.1523 8.1523 9.1593 9.1593 9.1944 9.1944 9.7374 9.7374 10.1311 10.1311 10.6237 10.6237 10.9757 10.9757 11.4061 11.4061 11.6046 11.6046 13.2642 13.2642 13.7504 13.7504 13.8206 13.8206 k = 0.0000 0.4556 0.1888 ( 4850 PWs) bands (ev): -0.4304 -0.4304 -0.2147 -0.2147 1.6046 1.6046 2.4805 2.4805 4.6214 4.6214 4.6667 4.6667 5.9648 5.9648 6.2879 6.2879 6.5179 6.5179 6.6944 6.6944 7.1411 7.1411 7.2861 7.2861 7.4037 7.4037 7.4918 7.4918 7.6553 7.6553 7.7535 7.7535 7.8382 7.8382 8.0919 8.0919 9.1556 9.1556 9.1838 9.1838 9.7789 9.7789 10.1007 10.1007 10.7000 10.7000 11.0280 11.0280 11.3318 11.3318 11.5475 11.5475 13.3019 13.3019 13.6998 13.6998 13.8416 13.8416 k = 0.0000 0.4667 0.1888 ( 4846 PWs) bands (ev): -0.3921 -0.3921 -0.2286 -0.2286 1.7029 1.7029 2.3608 2.3608 4.6100 4.6100 4.6450 4.6450 6.0233 6.0233 6.2675 6.2675 6.5372 6.5372 6.6700 6.6700 7.1681 7.1681 7.2827 7.2827 7.4015 7.4015 7.4716 7.4716 7.6669 7.6669 7.7413 7.7413 7.8415 7.8415 8.0357 8.0357 9.1535 9.1535 9.1746 9.1746 9.8206 9.8206 10.0656 10.0656 10.7779 10.7779 11.0872 11.0872 11.2551 11.2551 11.4860 11.4860 13.3441 13.3441 13.6474 13.6474 13.8621 13.8621 k = 0.0000 0.4778 0.1888 ( 4852 PWs) bands (ev): -0.3565 -0.3565 -0.2467 -0.2467 1.8047 1.8047 2.2437 2.2437 4.6036 4.6036 4.6275 4.6275 6.0775 6.0775 6.2412 6.2412 6.5574 6.5574 6.6462 6.6462 7.1940 7.1940 7.2737 7.2737 7.4034 7.4034 7.4525 7.4525 7.6804 7.6804 7.7297 7.7297 7.8527 7.8527 7.9847 7.9847 9.1529 9.1529 9.1670 9.1670 9.8625 9.8625 10.0273 10.0273 10.8569 10.8569 11.1508 11.1508 11.1768 11.1768 11.4210 11.4210 13.3898 13.3898 13.5943 13.5943 13.8812 13.8812 k = 0.0000 0.4889 0.1888 ( 4860 PWs) bands (ev): -0.3239 -0.3239 -0.2687 -0.2687 1.9098 1.9098 2.1294 2.1294 4.6023 4.6023 4.6145 4.6145 6.1268 6.1268 6.2090 6.2090 6.5785 6.5785 6.6229 6.6229 7.2184 7.2184 7.2593 7.2593 7.4100 7.4100 7.4354 7.4354 7.6939 7.6939 7.7182 7.7182 7.8729 7.8729 7.9398 7.9398 9.1539 9.1539 9.1610 9.1610 9.9044 9.9044 9.9873 9.9873 10.9367 10.9367 11.0970 11.0970 11.2178 11.2178 11.3540 11.3540 13.4384 13.4384 13.5413 13.5413 13.8973 13.8975 k = 0.0000 0.5000 0.1888 ( 4856 PWs) bands (ev): -0.2946 -0.2946 -0.2946 -0.2946 2.0181 2.0181 2.0181 2.0181 4.6060 4.6060 4.6060 4.6060 6.1707 6.1707 6.1707 6.1707 6.6003 6.6003 6.6003 6.6003 7.2405 7.2405 7.2405 7.2405 7.4209 7.4209 7.4209 7.4209 7.7065 7.7065 7.7065 7.7065 7.9022 7.9022 7.9022 7.9022 9.1566 9.1566 9.1566 9.1566 9.9461 9.9461 9.9461 9.9461 11.0169 11.0169 11.0169 11.0169 11.2858 11.2858 11.2858 11.2858 13.4891 13.4891 13.4891 13.4891 13.9087 13.9087 k = 0.0000 0.5000 0.1888 ( 4856 PWs) bands (ev): -0.2946 -0.2946 -0.2946 -0.2946 2.0181 2.0181 2.0181 2.0181 4.6060 4.6060 4.6060 4.6060 6.1707 6.1707 6.1707 6.1707 6.6003 6.6003 6.6003 6.6003 7.2405 7.2405 7.2405 7.2405 7.4209 7.4209 7.4209 7.4209 7.7065 7.7065 7.7065 7.7065 7.9022 7.9022 7.9022 7.9022 9.1566 9.1566 9.1566 9.1566 9.9461 9.9461 9.9461 9.9461 11.0169 11.0169 11.0169 11.0169 11.2858 11.2858 11.2858 11.2858 13.4891 13.4891 13.4891 13.4891 13.9087 13.9087 k = 0.0111 0.5000 0.1888 ( 4860 PWs) bands (ev): -0.2941 -0.2941 -0.2939 -0.2939 2.0191 2.0191 2.0197 2.0197 4.6060 4.6060 4.6070 4.6070 6.1703 6.1703 6.1714 6.1714 6.5967 6.5967 6.6025 6.6025 7.2315 7.2315 7.2470 7.2470 7.4128 7.4128 7.4278 7.4278 7.7044 7.7044 7.7096 7.7096 7.9020 7.9020 7.9039 7.9039 9.1545 9.1545 9.1570 9.1570 9.9441 9.9441 9.9452 9.9452 10.9885 10.9885 10.9919 10.9919 11.3051 11.3051 11.3100 11.3100 13.4777 13.4777 13.4804 13.4804 13.9176 13.9179 k = 0.0222 0.5000 0.1888 ( 4852 PWs) bands (ev): -0.2926 -0.2926 -0.2922 -0.2922 2.0228 2.0228 2.0239 2.0239 4.6070 4.6070 4.6090 4.6090 6.1703 6.1703 6.1724 6.1724 6.5916 6.5916 6.6033 6.6033 7.2204 7.2204 7.2509 7.2509 7.4040 7.4040 7.4330 7.4330 7.7037 7.7037 7.7137 7.7137 7.9034 7.9034 7.9072 7.9072 9.1508 9.1508 9.1556 9.1556 9.9390 9.9390 9.9413 9.9413 10.9245 10.9245 10.9289 10.9289 11.3527 11.3527 11.3599 11.3599 13.4503 13.4503 13.4555 13.4555 13.9408 13.9408 k = 0.0333 0.5000 0.1888 ( 4844 PWs) bands (ev): -0.2899 -0.2899 -0.2894 -0.2894 2.0291 2.0291 2.0308 2.0308 4.6091 4.6091 4.6121 4.6121 6.1705 6.1705 6.1737 6.1737 6.5852 6.5852 6.6026 6.6026 7.2077 7.2077 7.2518 7.2518 7.3948 7.3948 7.4358 7.4358 7.7044 7.7044 7.7186 7.7186 7.9065 7.9065 7.9120 7.9120 9.1453 9.1453 9.1524 9.1524 9.9305 9.9305 9.9339 9.9339 10.8445 10.8445 10.8484 10.8484 11.4080 11.4080 11.4163 11.4163 13.4151 13.4151 13.4226 13.4226 13.9702 13.9730 k = 0.0444 0.5000 0.1888 ( 4840 PWs) bands (ev): -0.2862 -0.2862 -0.2855 -0.2855 2.0381 2.0381 2.0403 2.0403 4.6121 4.6121 4.6160 4.6160 6.1709 6.1709 6.1753 6.1753 6.5775 6.5775 6.6005 6.6005 7.1935 7.1935 7.2495 7.2495 7.3855 7.3855 7.4359 7.4359 7.7070 7.7070 7.7244 7.7244 7.9112 7.9112 7.9183 7.9183 9.1382 9.1382 9.1475 9.1475 9.9177 9.9177 9.9224 9.9224 10.7575 10.7575 10.7603 10.7603 11.4619 11.4619 11.4705 11.4705 13.3797 13.3797 13.3894 13.3894 13.9986 13.9986 k = 0.0556 0.5000 0.1888 ( 4832 PWs) bands (ev): -0.2814 -0.2814 -0.2805 -0.2805 2.0497 2.0497 2.0524 2.0524 4.6159 4.6159 4.6208 4.6208 6.1715 6.1715 6.1770 6.1770 6.5687 6.5687 6.5972 6.5972 7.1782 7.1782 7.2443 7.2443 7.3759 7.3759 7.4328 7.4328 7.7115 7.7115 7.7310 7.7310 7.9174 7.9174 7.9260 7.9260 9.1294 9.1294 9.1407 9.1407 9.8997 9.8997 9.9056 9.9056 10.6680 10.6680 10.6691 10.6691 11.5104 11.5104 11.5190 11.5190 13.3495 13.3495 13.3615 13.3615 14.0220 14.0220 k = 0.0667 0.5000 0.1888 ( 4836 PWs) bands (ev): -0.2756 -0.2756 -0.2745 -0.2745 2.0639 2.0639 2.0672 2.0672 4.6206 4.6206 4.6263 4.6263 6.1722 6.1722 6.1789 6.1789 6.5590 6.5590 6.5927 6.5927 7.1619 7.1619 7.2364 7.2364 7.3659 7.3659 7.4265 7.4265 7.7180 7.7180 7.7385 7.7385 7.9252 7.9252 7.9350 7.9350 9.1190 9.1190 9.1319 9.1319 9.8749 9.8749 9.8819 9.8819 10.5783 10.5783 10.5791 10.5791 11.5517 11.5517 11.5603 11.5603 13.3283 13.3283 13.3424 13.3424 14.0387 14.0387 k = 0.0778 0.5000 0.1888 ( 4836 PWs) bands (ev): -0.2687 -0.2687 -0.2675 -0.2675 2.0807 2.0807 2.0845 2.0845 4.6260 4.6260 4.6325 4.6325 6.1730 6.1730 6.1809 6.1809 6.5485 6.5485 6.5873 6.5873 7.1451 7.1451 7.2262 7.2262 7.3552 7.3552 7.4170 7.4170 7.7264 7.7264 7.7468 7.7468 7.9343 7.9343 7.9452 7.9452 9.1069 9.1069 9.1211 9.1211 9.8413 9.8413 9.8494 9.8494 10.4907 10.4907 10.4937 10.4937 11.5852 11.5852 11.5935 11.5935 13.3182 13.3182 13.3345 13.3345 14.0487 14.0487 k = 0.0889 0.5000 0.1888 ( 4848 PWs) bands (ev): -0.2608 -0.2608 -0.2595 -0.2595 2.1001 2.1001 2.1045 2.1045 4.6320 4.6320 4.6392 4.6392 6.1738 6.1738 6.1828 6.1828 6.5374 6.5374 6.5810 6.5810 7.1278 7.1278 7.2143 7.2143 7.3435 7.3435 7.4043 7.4043 7.7365 7.7365 7.7560 7.7560 7.9447 7.9447 7.9565 7.9565 9.0930 9.0930 9.1081 9.1081 9.7972 9.7972 9.8059 9.8059 10.4094 10.4094 10.4145 10.4145 11.6107 11.6107 11.6189 11.6189 13.3206 13.3206 13.3389 13.3389 14.0529 14.0529 k = 0.1000 0.5000 0.1888 ( 4852 PWs) bands (ev): -0.2520 -0.2520 -0.2504 -0.2504 2.1221 2.1221 2.1271 2.1271 4.6385 4.6385 4.6463 4.6463 6.1744 6.1744 6.1846 6.1846 6.5261 6.5261 6.5741 6.5741 7.1102 7.1102 7.2010 7.2010 7.3306 7.3306 7.3890 7.3890 7.7483 7.7483 7.7660 7.7660 7.9560 7.9560 7.9687 7.9687 9.0771 9.0771 9.0925 9.0925 9.7410 9.7410 9.7496 9.7496 10.3368 10.3368 10.3439 10.3439 11.6291 11.6291 11.6371 11.6371 13.3356 13.3356 13.3558 13.3558 14.0523 14.0523 k = 0.1111 0.5000 0.1888 ( 4844 PWs) bands (ev): -0.2422 -0.2422 -0.2405 -0.2405 2.1467 2.1467 2.1522 2.1522 4.6453 4.6453 4.6536 4.6536 6.1748 6.1748 6.1862 6.1862 6.5146 6.5146 6.5668 6.5668 7.0926 7.0926 7.1869 7.1869 7.3164 7.3164 7.3713 7.3713 7.7613 7.7613 7.7769 7.7769 7.9682 7.9682 7.9816 7.9816 9.0589 9.0589 9.0739 9.0739 9.6727 9.6727 9.6801 9.6801 10.2740 10.2740 10.2827 10.2827 11.6415 11.6415 11.6495 11.6495 13.3628 13.3628 13.3847 13.3847 14.0483 14.0484 k = 0.1222 0.5000 0.1888 ( 4844 PWs) bands (ev): -0.2315 -0.2315 -0.2296 -0.2296 2.1739 2.1739 2.1799 2.1799 4.6523 4.6523 4.6610 4.6610 6.1750 6.1750 6.1874 6.1874 6.5033 6.5033 6.5592 6.5592 7.0752 7.0752 7.1723 7.1723 7.3008 7.3008 7.3516 7.3516 7.7754 7.7754 7.7885 7.7885 7.9809 7.9809 7.9949 7.9949 9.0376 9.0376 9.0512 9.0512 9.5943 9.5943 9.5991 9.5991 10.2204 10.2204 10.2305 10.2305 11.6495 11.6495 11.6575 11.6575 13.4012 13.4012 13.4245 13.4245 14.0420 14.0420 k = 0.1333 0.5000 0.1888 ( 4844 PWs) bands (ev): -0.2199 -0.2199 -0.2179 -0.2179 2.2037 2.2037 2.2102 2.2102 4.6592 4.6592 4.6682 4.6682 6.1748 6.1748 6.1882 6.1882 6.4924 6.4924 6.5516 6.5516 7.0580 7.0580 7.1573 7.1573 7.2841 7.2841 7.3303 7.3303 7.7902 7.7902 7.8007 7.8007 7.9939 7.9939 8.0085 8.0085 9.0123 9.0123 9.0228 9.0228 9.5096 9.5096 9.5101 9.5101 10.1742 10.1742 10.1854 10.1854 11.6547 11.6547 11.6629 11.6629 13.4496 13.4496 13.4740 13.4740 14.0342 14.0342 k = 0.1444 0.5000 0.1888 ( 4828 PWs) bands (ev): -0.2074 -0.2074 -0.2053 -0.2053 2.2360 2.2360 2.2430 2.2430 4.6659 4.6659 4.6751 4.6751 6.1742 6.1742 6.1884 6.1884 6.4821 6.4821 6.5441 6.5441 7.0413 7.0413 7.1422 7.1422 7.2665 7.2665 7.3078 7.3078 7.8057 7.8057 7.8134 7.8134 8.0069 8.0069 8.0221 8.0221 8.9806 8.9806 8.9863 8.9863 9.4179 9.4179 9.4238 9.4238 10.1331 10.1331 10.1453 10.1453 11.6588 11.6588 11.6672 11.6672 13.5065 13.5065 13.5317 13.5317 14.0257 14.0257 k = 0.1556 0.5000 0.1888 ( 4836 PWs) bands (ev): -0.1942 -0.1942 -0.1919 -0.1919 2.2709 2.2709 2.2783 2.2783 4.6722 4.6722 4.6815 4.6815 6.1732 6.1732 6.1881 6.1881 6.4725 6.4725 6.5366 6.5366 7.0252 7.0252 7.1271 7.1271 7.2481 7.2481 7.2844 7.2844 7.8214 7.8214 7.8265 7.8265 8.0196 8.0196 8.0351 8.0351 8.9380 8.9380 8.9394 8.9394 9.3289 9.3289 9.3432 9.3432 10.0949 10.0949 10.1081 10.1081 11.6634 11.6634 11.6720 11.6720 13.5704 13.5704 13.5962 13.5962 14.0170 14.0171 k = 0.1667 0.5000 0.1888 ( 4828 PWs) bands (ev): -0.1802 -0.1802 -0.1779 -0.1779 2.3082 2.3082 2.3161 2.3161 4.6779 4.6779 4.6871 4.6871 6.1718 6.1718 6.1872 6.1872 6.4637 6.4637 6.5294 6.5294 7.0098 7.0098 7.1121 7.1121 7.2293 7.2293 7.2604 7.2604 7.8373 7.8373 7.8397 7.8397 8.0314 8.0314 8.0474 8.0474 8.8745 8.8745 8.8842 8.8842 9.2499 9.2499 9.2736 9.2736 10.0579 10.0579 10.0723 10.0723 11.6697 11.6697 11.6785 11.6785 13.6399 13.6399 13.6660 13.6660 14.0089 14.0089 k = 0.1778 0.5000 0.1888 ( 4828 PWs) bands (ev): -0.1656 -0.1656 -0.1631 -0.1631 2.3481 2.3481 2.3564 2.3564 4.6827 4.6827 4.6918 4.6918 6.1701 6.1701 6.1857 6.1857 6.4557 6.4557 6.5223 6.5223 6.9954 6.9954 7.0973 7.0973 7.2104 7.2104 7.2360 7.2360 7.8529 7.8529 7.8531 7.8531 8.0418 8.0418 8.0581 8.0581 8.7949 8.7949 8.8119 8.8119 9.1863 9.1863 9.2184 9.2184 10.0210 10.0210 10.0368 10.0368 11.6786 11.6786 11.6876 11.6876 13.7134 13.7134 13.7397 13.7397 14.0019 14.0019 k = 0.1889 0.5000 0.1888 ( 4828 PWs) bands (ev): -0.1503 -0.1503 -0.1477 -0.1477 2.3904 2.3904 2.3992 2.3992 4.6866 4.6866 4.6953 4.6953 6.1682 6.1682 6.1837 6.1837 6.4486 6.4486 6.5154 6.5154 6.9820 6.9820 7.0825 7.0825 7.1918 7.1918 7.2116 7.2116 7.8659 7.8659 7.8686 7.8686 8.0500 8.0500 8.0665 8.0665 8.7020 8.7020 8.7240 8.7240 9.1388 9.1388 9.1767 9.1767 9.9834 9.9834 10.0006 10.0006 11.6909 11.6909 11.7000 11.7000 13.7892 13.7892 13.8153 13.8153 13.9971 13.9971 k = 0.2000 0.5000 0.1888 ( 4812 PWs) bands (ev): -0.1344 -0.1344 -0.1318 -0.1318 2.4352 2.4352 2.4444 2.4444 4.6893 4.6893 4.6976 4.6976 6.1662 6.1662 6.1814 6.1814 6.4421 6.4421 6.5083 6.5083 6.9697 6.9697 7.0677 7.0677 7.1739 7.1739 7.1872 7.1872 7.8785 7.8785 7.8836 7.8836 8.0545 8.0545 8.0711 8.0711 8.6015 8.6015 8.6261 8.6261 9.1046 9.1046 9.1456 9.1456 9.9447 9.9447 9.9636 9.9636 11.7069 11.7069 11.7162 11.7162 13.8634 13.8634 13.8892 13.8892 13.9975 13.9975 k = 0.2111 0.5000 0.1888 ( 4832 PWs) bands (ev): -0.1181 -0.1181 -0.1153 -0.1153 2.4824 2.4824 2.4920 2.4920 4.6906 4.6906 4.6983 4.6983 6.1642 6.1642 6.1789 6.1789 6.4361 6.4361 6.5010 6.5010 6.9586 6.9586 7.0526 7.0526 7.1569 7.1569 7.1630 7.1630 7.8903 7.8903 7.8978 7.8978 8.0529 8.0529 8.0694 8.0694 8.4998 8.4998 8.5258 8.5258 9.0796 9.0796 9.1223 9.1223 9.9048 9.9048 9.9253 9.9253 11.7269 11.7269 11.7362 11.7362 13.9227 13.9227 13.9485 13.9485 14.0155 14.0155 k = 0.2222 0.5000 0.1888 ( 4828 PWs) bands (ev): -0.1013 -0.1013 -0.0985 -0.0985 2.5320 2.5320 2.5420 2.5420 4.6905 4.6905 4.6976 4.6976 6.1625 6.1625 6.1763 6.1763 6.4303 6.4303 6.4931 6.4931 6.9488 6.9488 7.0372 7.0372 7.1391 7.1391 7.1412 7.1412 7.9011 7.9011 7.9106 7.9106 8.0408 8.0408 8.0571 8.0571 8.4047 8.4047 8.4313 8.4313 9.0614 9.0614 9.1047 9.1047 9.8636 9.8636 9.8859 9.8859 11.7508 11.7508 11.7601 11.7601 13.9467 13.9467 13.9717 13.9717 14.0708 14.0708 k = 0.2333 0.5000 0.1888 ( 4824 PWs) bands (ev): -0.0841 -0.0841 -0.0813 -0.0813 2.5840 2.5840 2.5943 2.5943 4.6888 4.6888 4.6951 4.6951 6.1611 6.1611 6.1739 6.1739 6.4243 6.4243 6.4843 6.4843 6.9401 6.9401 7.0212 7.0212 7.1156 7.1156 7.1269 7.1269 7.9095 7.9095 7.9200 7.9200 8.0125 8.0125 8.0276 8.0276 8.3262 8.3262 8.3529 8.3529 9.0483 9.0483 9.0917 9.0917 9.8214 9.8214 9.8454 9.8454 11.7784 11.7784 11.7877 11.7877 13.9512 13.9512 13.9743 13.9743 14.1464 14.1464 k = 0.2444 0.5000 0.1888 ( 4816 PWs) bands (ev): -0.0667 -0.0667 -0.0638 -0.0638 2.6383 2.6383 2.6489 2.6489 4.6854 4.6854 4.6910 4.6910 6.1601 6.1601 6.1718 6.1718 6.4180 6.4180 6.4745 6.4745 6.9324 6.9324 7.0045 7.0045 7.0923 7.0923 7.1139 7.1139 7.9089 7.9089 7.9130 7.9130 7.9743 7.9743 7.9812 7.9812 8.2727 8.2727 8.2988 8.2988 9.0394 9.0394 9.0826 9.0826 9.7783 9.7783 9.8040 9.8040 11.8093 11.8093 11.8186 11.8186 13.9513 13.9513 13.9718 13.9718 14.2262 14.2262 k = 0.2556 0.5000 0.1888 ( 4824 PWs) bands (ev): -0.0490 -0.0490 -0.0461 -0.0461 2.6949 2.6949 2.7058 2.7058 4.6804 4.6804 4.6852 4.6852 6.1597 6.1597 6.1699 6.1699 6.4108 6.4108 6.4631 6.4631 6.9254 6.9254 6.9869 6.9869 7.0688 7.0688 7.1017 7.1017 7.8545 7.8545 7.8665 7.8665 7.9539 7.9539 7.9649 7.9649 8.2422 8.2422 8.2675 8.2675 9.0343 9.0343 9.0770 9.0770 9.7348 9.7348 9.7619 9.7619 11.8431 11.8431 11.8524 11.8524 13.9504 13.9504 13.9680 13.9680 14.3050 14.3056 k = 0.2667 0.5000 0.1888 ( 4832 PWs) bands (ev): -0.0312 -0.0312 -0.0283 -0.0283 2.7537 2.7537 2.7649 2.7649 4.6738 4.6738 4.6777 4.6777 6.1598 6.1598 6.1683 6.1683 6.4026 6.4026 6.4501 6.4501 6.9188 6.9188 6.9684 6.9684 7.0445 7.0445 7.0894 7.0894 7.7683 7.7683 7.7842 7.7842 7.9543 7.9543 7.9710 7.9710 8.2259 8.2259 8.2505 8.2505 9.0325 9.0325 9.0746 9.0746 9.6910 9.6910 9.7196 9.7196 11.8791 11.8791 11.8885 11.8885 13.9495 13.9495 13.9639 13.9639 14.3787 14.3802 k = 0.2778 0.5000 0.1888 ( 4832 PWs) bands (ev): -0.0134 -0.0134 -0.0104 -0.0104 2.8147 2.8147 2.8262 2.8262 4.6655 4.6655 4.6686 4.6686 6.1602 6.1602 6.1667 6.1667 6.3928 6.3928 6.4348 6.4348 6.9124 6.9124 6.9489 6.9489 7.0184 7.0184 7.0757 7.0757 7.6778 7.6778 7.6947 7.6947 7.9596 7.9596 7.9791 7.9791 8.2164 8.2164 8.2404 8.2404 9.0341 9.0341 9.0754 9.0754 9.6474 9.6474 9.6772 9.6772 11.9167 11.9167 11.9262 11.9262 13.9490 13.9490 13.9599 13.9599 14.4427 14.4440 k = 0.2889 0.5000 0.1888 ( 4828 PWs) bands (ev): 0.0044 0.0044 0.0073 0.0073 2.8778 2.8778 2.8896 2.8896 4.6558 4.6558 4.6581 4.6581 6.1608 6.1608 6.1648 6.1648 6.3814 6.3814 6.4172 6.4172 6.9057 6.9057 6.9278 6.9278 6.9888 6.9888 7.0588 7.0588 7.5922 7.5922 7.6097 7.6097 7.9652 7.9652 7.9869 7.9869 8.2095 8.2095 8.2331 8.2331 9.0387 9.0387 9.0791 9.0791 9.6044 9.6044 9.6351 9.6351 11.9551 11.9551 11.9646 11.9646 13.9492 13.9492 13.9563 13.9563 14.4772 14.4778 k = 0.3000 0.5000 0.1888 ( 4828 PWs) bands (ev): 0.0221 0.0221 0.0250 0.0250 2.9429 2.9429 2.9550 2.9550 4.6448 4.6448 4.6463 4.6463 6.1609 6.1609 6.1619 6.1619 6.3679 6.3679 6.3968 6.3968 6.8984 6.8984 6.9044 6.9044 6.9538 6.9538 7.0369 7.0369 7.5172 7.5172 7.5360 7.5360 7.9702 7.9702 7.9940 7.9940 8.2031 8.2031 8.2264 8.2264 9.0464 9.0464 9.0857 9.0857 9.5622 9.5622 9.5936 9.5936 11.9932 11.9932 12.0029 12.0029 13.9502 13.9502 13.9534 13.9534 14.4916 14.4919 k = 0.3111 0.5000 0.1888 ( 4844 PWs) bands (ev): 0.0395 0.0395 0.0424 0.0424 3.0101 3.0101 3.0223 3.0223 4.6326 4.6326 4.6334 4.6334 6.1569 6.1569 6.1596 6.1596 6.3525 6.3525 6.3737 6.3737 6.8770 6.8770 6.8902 6.8902 6.9123 6.9123 7.0095 7.0095 7.4572 7.4572 7.4783 7.4783 7.9742 7.9742 7.9999 7.9999 8.1962 8.1962 8.2191 8.2191 9.0568 9.0568 9.0949 9.0949 9.5213 9.5213 9.5531 9.5531 12.0304 12.0304 12.0402 12.0402 13.9519 13.9519 13.9526 13.9526 14.4963 14.4964 k = 0.3222 0.5000 0.1888 ( 4840 PWs) bands (ev): 0.0566 0.0566 0.0594 0.0594 3.0790 3.0790 3.0914 3.0914 4.6195 4.6195 4.6197 4.6197 6.1479 6.1479 6.1549 6.1549 6.3357 6.3357 6.3483 6.3483 6.8435 6.8435 6.8619 6.8619 6.8834 6.8834 6.9790 6.9790 7.4140 7.4140 7.4388 7.4388 7.9772 7.9772 8.0048 8.0048 8.1881 8.1881 8.2106 8.2106 9.0698 9.0698 9.1065 9.1065 9.4819 9.4819 9.5138 9.5138 12.0654 12.0654 12.0754 12.0754 13.9523 13.9523 13.9570 13.9570 14.4978 14.4982 k = 0.3333 0.5000 0.1888 ( 4836 PWs) bands (ev): 0.0733 0.0733 0.0761 0.0761 3.1498 3.1498 3.1623 3.1623 4.6053 4.6053 4.6057 4.6057 6.1319 6.1319 6.1433 6.1433 6.3190 6.3190 6.3228 6.3228 6.8028 6.8028 6.8092 6.8092 6.8741 6.8741 6.9497 6.9497 7.3873 7.3873 7.4162 7.4162 7.9791 7.9791 8.0086 8.0086 8.1785 8.1785 8.2006 8.2006 9.0850 9.0850 9.1203 9.1203 9.4443 9.4443 9.4760 9.4760 12.0975 12.0975 12.1074 12.1074 13.9559 13.9559 13.9642 13.9642 14.4991 14.4992 k = 0.3444 0.5000 0.1888 ( 4844 PWs) bands (ev): 0.0896 0.0896 0.0922 0.0922 3.2221 3.2221 3.2347 3.2347 4.5905 4.5905 4.5914 4.5914 6.1052 6.1052 6.1196 6.1196 6.3011 6.3011 6.3046 6.3046 6.7553 6.7553 6.7568 6.7568 6.8650 6.8650 6.9245 6.9245 7.3745 7.3745 7.4075 7.4075 7.9797 7.9797 8.0111 8.0111 8.1673 8.1673 8.1890 8.1890 9.1022 9.1022 9.1360 9.1360 9.4089 9.4089 9.4399 9.4399 12.1256 12.1256 12.1355 12.1355 13.9635 13.9635 13.9750 13.9750 14.5020 14.5021 k = 0.3556 0.5000 0.1888 ( 4848 PWs) bands (ev): 0.1052 0.1052 0.1077 0.1077 3.2958 3.2958 3.3084 3.3084 4.5756 4.5756 4.5769 4.5769 6.0650 6.0650 6.0791 6.0791 6.2871 6.2871 6.2945 6.2945 6.7043 6.7043 6.7098 6.7098 6.8561 6.8561 6.9037 6.9037 7.3729 7.3729 7.4093 7.4093 7.9789 7.9789 8.0124 8.0124 8.1545 8.1545 8.1758 8.1758 9.1210 9.1210 9.1532 9.1532 9.3758 9.3758 9.4059 9.4059 12.1490 12.1490 12.1588 12.1588 13.9763 13.9763 13.9903 13.9903 14.5074 14.5075 k = 0.3667 0.5000 0.1888 ( 4848 PWs) bands (ev): 0.1201 0.1201 0.1225 0.1225 3.3707 3.3707 3.3833 3.3833 4.5608 4.5608 4.5624 4.5624 6.0107 6.0107 6.0217 6.0217 6.2812 6.2812 6.2892 6.2892 6.6585 6.6585 6.6658 6.6658 6.8474 6.8474 6.8864 6.8864 7.3797 7.3797 7.4188 7.4188 7.9766 7.9766 8.0122 8.0122 8.1403 8.1403 8.1614 8.1614 9.1410 9.1410 9.1716 9.1716 9.3453 9.3453 9.3740 9.3740 12.1673 12.1673 12.1767 12.1767 13.9952 13.9952 14.0111 14.0111 14.5155 14.5155 k = 0.3778 0.5000 0.1888 ( 4840 PWs) bands (ev): 0.1342 0.1342 0.1365 0.1365 3.4465 3.4465 3.4591 3.4591 4.5465 4.5465 4.5483 4.5483 5.9440 5.9440 5.9510 5.9510 6.2812 6.2812 6.2880 6.2880 6.6189 6.6189 6.6268 6.6268 6.8391 6.8391 6.8716 6.8716 7.3932 7.3932 7.4342 7.4342 7.9726 7.9726 8.0103 8.0103 8.1251 8.1251 8.1460 8.1460 9.1617 9.1617 9.1905 9.1905 9.3175 9.3175 9.3446 9.3446 12.1802 12.1802 12.1891 12.1891 14.0208 14.0208 14.0375 14.0375 14.5266 14.5266 k = 0.3889 0.5000 0.1888 ( 4844 PWs) bands (ev): 0.1475 0.1475 0.1496 0.1496 3.5228 3.5228 3.5352 3.5352 4.5327 4.5327 4.5347 4.5347 5.8679 5.8679 5.8710 5.8710 6.2848 6.2848 6.2897 6.2897 6.5850 6.5850 6.5933 6.5933 6.8313 6.8313 6.8588 6.8588 7.4115 7.4115 7.4538 7.4538 7.9663 7.9663 8.0062 8.0062 8.1095 8.1095 8.1302 8.1302 9.1825 9.1825 9.2097 9.2097 9.2927 9.2927 9.3176 9.3176 12.1878 12.1878 12.1960 12.1960 14.0531 14.0531 14.0697 14.0697 14.5409 14.5409 k = 0.4000 0.5000 0.1888 ( 4836 PWs) bands (ev): 0.1598 0.1598 0.1618 0.1618 3.5992 3.5992 3.6114 3.6114 4.5198 4.5198 4.5220 4.5220 5.7853 5.7853 5.7855 5.7855 6.2906 6.2906 6.2934 6.2934 6.5562 6.5562 6.5649 6.5649 6.8242 6.8242 6.8476 6.8476 7.4338 7.4338 7.4767 7.4767 7.9574 7.9574 7.9990 7.9990 8.0945 8.0945 8.1148 8.1148 9.2026 9.2026 9.2284 9.2284 9.2713 9.2713 9.2935 9.2935 12.1906 12.1906 12.1980 12.1980 14.0915 14.0915 14.1071 14.1071 14.5585 14.5585 k = 0.4111 0.5000 0.1888 ( 4828 PWs) bands (ev): 0.1711 0.1711 0.1729 0.1729 3.6750 3.6750 3.6868 3.6868 4.5082 4.5082 4.5104 4.5104 5.6971 5.6971 5.6997 5.6997 6.2978 6.2978 6.2984 6.2984 6.5316 6.5316 6.5406 6.5406 6.8179 6.8179 6.8378 6.8378 7.4590 7.4590 7.5023 7.5023 7.9454 7.9454 7.9880 7.9880 8.0813 8.0813 8.1003 8.1003 9.2193 9.2193 9.2449 9.2449 9.2557 9.2557 9.2735 9.2735 12.1893 12.1893 12.1958 12.1958 14.1350 14.1350 14.1485 14.1485 14.5798 14.5798 k = 0.4222 0.5000 0.1888 ( 4832 PWs) bands (ev): 0.1813 0.1813 0.1828 0.1828 3.7493 3.7493 3.7606 3.7606 4.4979 4.4979 4.5001 4.5001 5.6088 5.6088 5.6132 5.6132 6.3045 6.3045 6.3056 6.3056 6.5103 6.5103 6.5197 6.5197 6.8123 6.8123 6.8291 6.8291 7.4866 7.4866 7.5297 7.5297 7.9299 7.9299 7.9723 7.9723 8.0707 8.0707 8.0875 8.0875 9.2220 9.2220 9.2457 9.2457 9.2558 9.2558 9.2707 9.2707 12.1848 12.1848 12.1904 12.1904 14.1816 14.1816 14.1922 14.1922 14.6053 14.6053 k = 0.4333 0.5000 0.1888 ( 4836 PWs) bands (ev): 0.1902 0.1902 0.1916 0.1916 3.8210 3.8210 3.8316 3.8316 4.4892 4.4892 4.4915 4.4915 5.5227 5.5227 5.5283 5.5283 6.3111 6.3111 6.3138 6.3138 6.4919 6.4919 6.5015 6.5015 6.8075 6.8075 6.8216 6.8216 7.5159 7.5159 7.5586 7.5586 7.9109 7.9109 7.9523 7.9523 8.0630 8.0630 8.0769 8.0769 9.2122 9.2122 9.2312 9.2312 9.2697 9.2697 9.2843 9.2843 12.1781 12.1781 12.1828 12.1828 14.2288 14.2288 14.2358 14.2358 14.6360 14.6360 k = 0.4444 0.5000 0.1888 ( 4832 PWs) bands (ev): 0.1980 0.1980 0.1991 0.1991 3.8886 3.8886 3.8982 3.8982 4.4825 4.4825 4.4847 4.4847 5.4415 5.4415 5.4475 5.4475 6.3180 6.3180 6.3219 6.3219 6.4761 6.4761 6.4856 6.4856 6.8036 6.8036 6.8152 6.8152 7.5465 7.5465 7.5883 7.5883 7.8889 7.8889 7.9287 7.9287 8.0576 8.0576 8.0684 8.0684 9.2017 9.2017 9.2173 9.2173 9.2851 9.2851 9.2979 9.2979 12.1704 12.1704 12.1742 12.1742 14.2736 14.2736 14.2769 14.2769 14.6729 14.6729 k = 0.4556 0.5000 0.1888 ( 4836 PWs) bands (ev): 0.2044 0.2044 0.2053 0.2053 3.9499 3.9499 3.9582 3.9582 4.4778 4.4778 4.4799 4.4799 5.3676 5.3676 5.3736 5.3736 6.3250 6.3250 6.3296 6.3296 6.4627 6.4627 6.4718 6.4718 6.8006 6.8006 6.8098 6.8098 7.5778 7.5778 7.6181 7.6181 7.8647 7.8647 7.9027 7.9027 8.0540 8.0540 8.0619 8.0619 9.1930 9.1930 9.2054 9.2054 9.2991 9.2991 9.3097 9.3097 12.1625 12.1625 12.1655 12.1655 14.3129 14.3129 14.3133 14.3133 14.7168 14.7168 k = 0.4667 0.5000 0.1888 ( 4836 PWs) bands (ev): 0.2094 0.2094 0.2102 0.2102 4.0025 4.0025 4.0092 4.0092 4.4752 4.4752 4.4770 4.4770 5.3044 5.3044 5.3097 5.3097 6.3317 6.3317 6.3364 6.3364 6.4519 6.4519 6.4599 6.4599 6.7985 6.7985 6.8053 6.8053 7.6090 7.6090 7.6468 7.6468 7.8398 7.8398 7.8754 7.8754 8.0517 8.0517 8.0572 8.0572 9.1865 9.1865 9.1958 9.1958 9.3109 9.3109 9.3190 9.3190 12.1555 12.1555 12.1576 12.1576 14.3429 14.3429 14.3443 14.3443 14.7667 14.7667 k = 0.4778 0.5000 0.1888 ( 4844 PWs) bands (ev): 0.2131 0.2131 0.2136 0.2136 4.0435 4.0435 4.0482 4.0482 4.4744 4.4744 4.4758 4.4758 5.2554 5.2554 5.2595 5.2595 6.3376 6.3376 6.3416 6.3416 6.4441 6.4441 6.4503 6.4503 6.7973 6.7973 6.8018 6.8018 7.6392 7.6392 7.6718 7.6718 7.8170 7.8170 7.8480 7.8480 8.0503 8.0503 8.0538 8.0538 9.1823 9.1823 9.1885 9.1885 9.3200 9.3200 9.3254 9.3254 12.1500 12.1500 12.1514 12.1514 14.3648 14.3648 14.3666 14.3666 14.8190 14.8190 k = 0.4889 0.5000 0.1888 ( 4852 PWs) bands (ev): 0.2154 0.2154 0.2156 0.2156 4.0700 4.0700 4.0725 4.0725 4.4747 4.4747 4.4755 4.4755 5.2245 5.2245 5.2267 5.2267 6.3422 6.3422 6.3445 6.3445 6.4399 6.4399 6.4433 6.4433 6.7970 6.7970 6.7993 6.7993 7.6662 7.6662 7.6874 7.6874 7.8025 7.8025 7.8228 7.8228 8.0498 8.0498 8.0515 8.0515 9.1804 9.1804 9.1835 9.1835 9.3261 9.3261 9.3288 9.3288 12.1466 12.1466 12.1473 12.1473 14.3783 14.3783 14.3796 14.3796 14.8655 14.8655 k = 0.5000 0.5000 0.1888 ( 4856 PWs) bands (ev): 0.2162 0.2162 0.2162 0.2162 4.0799 4.0799 4.0799 4.0799 4.4753 4.4753 4.4753 4.4753 5.2146 5.2146 5.2146 5.2146 6.3447 6.3447 6.3447 6.3447 6.4397 6.4397 6.4397 6.4397 6.7977 6.7977 6.7977 6.7977 7.6851 7.6851 7.6851 7.6851 7.8048 7.8048 7.8048 7.8048 8.0502 8.0502 8.0502 8.0502 9.1808 9.1808 9.1808 9.1808 9.3291 9.3291 9.3291 9.3291 12.1456 12.1456 12.1456 12.1456 14.3834 14.3834 14.3834 14.3834 14.8929 14.8929 k = 0.5000 0.5000 0.1888 ( 4856 PWs) bands (ev): 0.2162 0.2162 0.2162 0.2162 4.0799 4.0799 4.0799 4.0799 4.4753 4.4753 4.4753 4.4753 5.2146 5.2146 5.2146 5.2146 6.3447 6.3447 6.3447 6.3447 6.4397 6.4397 6.4397 6.4397 6.7977 6.7977 6.7977 6.7977 7.6851 7.6851 7.6851 7.6851 7.8048 7.8048 7.8048 7.8048 8.0502 8.0502 8.0502 8.0502 9.1808 9.1808 9.1808 9.1808 9.3291 9.3291 9.3291 9.3291 12.1456 12.1456 12.1456 12.1456 14.3834 14.3834 14.3834 14.3834 14.8929 14.8929 k = 0.4921 0.4921 0.1888 ( 4856 PWs) bands (ev): 0.2150 0.2150 0.2160 0.2160 4.0610 4.0610 4.0813 4.0813 4.4736 4.4736 4.4765 4.4765 5.2176 5.2176 5.2340 5.2340 6.3417 6.3417 6.3450 6.3450 6.4390 6.4390 6.4443 6.4443 6.7970 6.7970 6.7993 6.7993 7.6642 7.6642 7.6899 7.6899 7.7992 7.7992 7.8255 7.8255 8.0497 8.0497 8.0516 8.0516 9.1801 9.1801 9.1839 9.1839 9.3251 9.3251 9.3298 9.3298 12.1464 12.1464 12.1475 12.1475 14.3777 14.3777 14.3802 14.3802 14.8584 14.8584 k = 0.4841 0.4841 0.1888 ( 4840 PWs) bands (ev): 0.2113 0.2113 0.2153 0.2153 4.0079 4.0079 4.0852 4.0852 4.4691 4.4691 4.4802 4.4802 5.2266 5.2266 5.2883 5.2883 6.3351 6.3351 6.3446 6.3446 6.4387 6.4387 6.4553 6.4553 6.7972 6.7972 6.8021 6.8021 7.6308 7.6308 7.6856 7.6856 7.7991 7.7991 7.8607 7.8607 8.0497 8.0497 8.0545 8.0545 9.1801 9.1801 9.1907 9.1907 9.3145 9.3145 9.3306 9.3306 12.1487 12.1487 12.1528 12.1528 14.3618 14.3618 14.3710 14.3710 14.7976 14.7976 k = 0.4762 0.4762 0.1888 ( 4832 PWs) bands (ev): 0.2051 0.2051 0.2141 0.2141 3.9287 3.9287 4.0917 4.0917 4.4620 4.4620 4.4863 4.4863 5.2410 5.2410 5.3692 5.3692 6.3265 6.3265 6.3438 6.3438 6.4384 6.4384 6.4714 6.4714 6.7981 6.7981 6.8060 6.8060 7.5924 7.5924 7.6763 7.6763 7.8004 7.8004 7.9023 7.9023 8.0499 8.0499 8.0593 8.0593 9.1804 9.1804 9.2017 9.2017 9.2974 9.2974 9.3320 9.3320 12.1523 12.1523 12.1614 12.1614 14.3377 14.3377 14.3579 14.3579 14.7285 14.7285 k = 0.4683 0.4683 0.1888 ( 4824 PWs) bands (ev): 0.1965 0.1965 0.2124 0.2124 3.8315 3.8315 4.1009 4.1009 4.4529 4.4529 4.4949 4.4949 5.2605 5.2605 5.4678 5.4678 6.3172 6.3172 6.3426 6.3426 6.4378 6.4378 6.4917 6.4917 6.7998 6.7998 6.8112 6.8112 7.5529 7.5529 7.6633 7.6633 7.8022 7.8022 7.9457 7.9457 8.0506 8.0506 8.0664 8.0664 9.1807 9.1807 9.2166 9.2166 9.2742 9.2742 9.3339 9.3339 12.1564 12.1564 12.1730 12.1730 14.3073 14.3073 14.3438 14.3438 14.6554 14.6554 k = 0.4603 0.4603 0.1888 ( 4828 PWs) bands (ev): 0.1853 0.1853 0.2102 0.2102 3.7228 3.7228 4.1126 4.1126 4.4425 4.4425 4.5059 4.5059 5.2841 5.2841 5.5771 5.5771 6.3083 6.3083 6.3411 6.3411 6.4369 6.4369 6.5158 6.5158 6.8024 6.8024 6.8178 6.8178 7.5139 7.5139 7.6471 7.6471 7.8042 7.8042 7.9871 7.9871 8.0530 8.0530 8.0771 8.0771 9.1803 9.1803 9.2323 9.2323 9.2486 9.2486 9.3365 9.3365 12.1603 12.1603 12.1870 12.1870 14.2728 14.2728 14.3315 14.3315 14.5790 14.5790 k = 0.4524 0.4524 0.1888 ( 4828 PWs) bands (ev): 0.1717 0.1717 0.2074 0.2074 3.6069 3.6069 4.1269 4.1269 4.4314 4.4314 4.5193 4.5193 5.3113 5.3113 5.6912 5.6912 6.3002 6.3002 6.3393 6.3393 6.4355 6.4355 6.5439 6.5439 6.8059 6.8059 6.8257 6.8257 7.4766 7.4766 7.6283 7.6283 7.8062 7.8062 8.0182 8.0182 8.0604 8.0604 8.0959 8.0959 9.1771 9.1771 9.2122 9.2122 9.2598 9.2598 9.3398 9.3398 12.1633 12.1633 12.2028 12.2028 14.2357 14.2357 14.3241 14.3241 14.5002 14.5002 k = 0.4444 0.4444 0.1888 ( 4836 PWs) bands (ev): 0.1556 0.1556 0.2040 0.2040 3.4865 3.4865 4.1438 4.1438 4.4204 4.4204 4.5352 4.5352 5.3412 5.3412 5.8055 5.8055 6.2934 6.2934 6.3372 6.3372 6.4335 6.4335 6.5768 6.5768 6.8106 6.8106 6.8350 6.8350 7.4422 7.4422 7.6070 7.6070 7.8084 7.8084 8.0311 8.0311 8.0738 8.0738 8.1289 8.1289 9.1573 9.1573 9.1933 9.1933 9.2846 9.2846 9.3439 9.3439 12.1648 12.1648 12.2196 12.2196 14.1970 14.1970 14.3236 14.3236 14.4212 14.4212 k = 0.4365 0.4365 0.1888 ( 4840 PWs) bands (ev): 0.1370 0.1370 0.1999 0.1999 3.3637 3.3637 4.1633 4.1633 4.4101 4.4101 4.5535 4.5535 5.3731 5.3731 5.9157 5.9157 6.2880 6.2880 6.3348 6.3348 6.4308 6.4308 6.6153 6.6153 6.8167 6.8167 6.8458 6.8458 7.4119 7.4119 7.5836 7.5836 7.8107 7.8107 8.0343 8.0343 8.0876 8.0876 8.1733 8.1733 9.1176 9.1176 9.1897 9.1897 9.3123 9.3123 9.3489 9.3489 12.1642 12.1642 12.2366 12.2366 14.1576 14.1576 14.3281 14.3281 14.3488 14.3488 k = 0.4286 0.4286 0.1888 ( 4848 PWs) bands (ev): 0.1159 0.1159 0.1951 0.1951 3.2397 3.2397 4.1853 4.1853 4.4011 4.4011 4.5741 4.5741 5.4064 5.4064 6.0172 6.0172 6.2844 6.2844 6.3322 6.3322 6.4271 6.4271 6.6600 6.6600 6.8246 6.8246 6.8583 6.8583 7.3879 7.3879 7.5583 7.5583 7.8132 7.8132 8.0347 8.0347 8.1011 8.1011 8.2226 8.2226 9.0712 9.0712 9.1891 9.1891 9.3419 9.3419 9.3550 9.3550 12.1615 12.1615 12.2525 12.2525 14.1180 14.1180 14.2705 14.2705 14.3202 14.3202 k = 0.4206 0.4206 0.1888 ( 4842 PWs) bands (ev): 0.0923 0.0923 0.1895 0.1895 3.1155 3.1155 4.2099 4.2099 4.3938 4.3938 4.5971 4.5971 5.4405 5.4405 6.1064 6.1064 6.2828 6.2828 6.3293 6.3293 6.4224 6.4224 6.7096 6.7096 6.8350 6.8350 6.8729 6.8729 7.3733 7.3733 7.5314 7.5314 7.8160 7.8160 8.0340 8.0340 8.1150 8.1150 8.2741 8.2741 9.0214 9.0214 9.1890 9.1890 9.3611 9.3611 9.3740 9.3740 12.1567 12.1567 12.2664 12.2664 14.0787 14.0787 14.2049 14.2049 14.2506 14.2506 k = 0.4127 0.4127 0.1888 ( 4842 PWs) bands (ev): 0.0663 0.0663 0.1830 0.1830 2.9916 2.9916 4.2371 4.2371 4.3886 4.3886 4.6225 4.6225 5.4748 5.4748 6.1799 6.1799 6.2841 6.2841 6.3261 6.3261 6.4166 6.4166 6.7589 6.7589 6.8488 6.8488 6.8908 6.8908 7.3728 7.3728 7.5033 7.5033 7.8192 7.8192 8.0328 8.0328 8.1296 8.1296 8.3268 8.3268 8.9693 8.9693 9.1889 9.1889 9.3692 9.3692 9.4061 9.4061 12.1504 12.1504 12.2771 12.2771 14.0399 14.0399 14.1437 14.1437 14.1851 14.1851 k = 0.4048 0.4048 0.1888 ( 4844 PWs) bands (ev): 0.0380 0.0380 0.1756 0.1756 2.8686 2.8686 4.2669 4.2669 4.3859 4.3859 4.6501 4.6501 5.5089 5.5089 6.2348 6.2348 6.2909 6.2909 6.3228 6.3228 6.4097 6.4097 6.7988 6.7988 6.8662 6.8662 6.9142 6.9142 7.3924 7.3924 7.4751 7.4751 7.8228 7.8228 8.0314 8.0314 8.1449 8.1449 8.3803 8.3803 8.9158 8.9158 9.1885 9.1885 9.3782 9.3782 9.4388 9.4388 12.1433 12.1433 12.2834 12.2834 14.0019 14.0019 14.0821 14.0821 14.1303 14.1303 k = 0.3968 0.3968 0.1888 ( 4842 PWs) bands (ev): 0.0072 0.0072 0.1672 0.1672 2.7468 2.7468 4.2991 4.2991 4.3859 4.3859 4.6801 4.6801 5.5421 5.5421 6.2649 6.2649 6.3101 6.3101 6.3198 6.3198 6.4018 6.4018 6.8248 6.8248 6.8845 6.8845 6.9419 6.9419 7.4251 7.4251 7.4606 7.4606 7.8270 7.8270 8.0297 8.0297 8.1610 8.1610 8.4341 8.4341 8.8615 8.8615 9.1880 9.1880 9.3882 9.3882 9.4713 9.4713 12.1363 12.1363 12.2845 12.2845 13.9648 13.9648 14.0166 14.0166 14.0904 14.0904 k = 0.3889 0.3889 0.1888 ( 4838 PWs) bands (ev): -0.0259 -0.0259 0.1578 0.1578 2.6266 2.6266 4.3338 4.3338 4.3888 4.3888 4.7122 4.7122 5.5739 5.5739 6.2767 6.2767 6.3150 6.3150 6.3394 6.3394 6.3934 6.3934 6.8410 6.8410 6.9012 6.9012 6.9680 6.9680 7.4064 7.4064 7.5267 7.5267 7.8316 7.8316 8.0280 8.0280 8.1779 8.1779 8.4878 8.4878 8.8074 8.8074 9.1871 9.1871 9.3992 9.3992 9.5030 9.5030 12.1306 12.1306 12.2799 12.2799 13.9283 13.9283 13.9491 13.9491 14.0636 14.0636 k = 0.3810 0.3810 0.1888 ( 4842 PWs) bands (ev): -0.0611 -0.0611 0.1471 0.1471 2.5082 2.5082 4.3707 4.3707 4.3951 4.3951 4.7466 4.7466 5.6038 5.6038 6.2838 6.2838 6.3113 6.3113 6.3620 6.3620 6.3870 6.3870 6.8509 6.8509 6.9168 6.9168 6.9900 6.9900 7.3759 7.3759 7.6297 7.6297 7.8369 7.8369 8.0262 8.0262 8.1955 8.1955 8.5408 8.5408 8.7544 8.7544 9.1859 9.1859 9.4113 9.4113 9.5334 9.5334 12.1272 12.1272 12.2694 12.2694 13.8782 13.8782 13.8955 13.8955 14.0471 14.0471 k = 0.3730 0.3730 0.1888 ( 4834 PWs) bands (ev): -0.0985 -0.0985 0.1352 0.1352 2.3918 2.3918 4.4008 4.4008 4.4137 4.4137 4.7831 4.7831 5.6312 5.6312 6.2893 6.2893 6.3075 6.3075 6.3657 6.3657 6.3949 6.3949 6.8558 6.8558 6.9331 6.9331 7.0098 7.0098 7.3444 7.3444 7.7520 7.7520 7.8434 7.8434 8.0244 8.0244 8.2138 8.2138 8.5912 8.5912 8.7049 8.7049 9.1846 9.1846 9.4245 9.4245 9.5620 9.5620 12.1273 12.1273 12.2534 12.2534 13.8102 13.8102 13.8609 13.8609 14.0383 14.0383 k = 0.3651 0.3651 0.1888 ( 4828 PWs) bands (ev): -0.1380 -0.1380 0.1220 0.1220 2.2776 2.2776 4.4143 4.4143 4.4545 4.4545 4.8218 4.8218 5.6554 5.6554 6.2930 6.2930 6.3040 6.3040 6.3576 6.3576 6.4117 6.4117 6.8567 6.8567 6.9509 6.9509 7.0298 7.0298 7.3130 7.3130 7.8453 7.8453 7.8923 7.8923 8.0227 8.0227 8.2329 8.2329 8.6208 8.6208 8.6773 8.6773 9.1829 9.1829 9.4386 9.4386 9.5883 9.5883 12.1316 12.1316 12.2326 12.2326 13.7418 13.7418 13.8281 13.8281 14.0337 14.0337 k = 0.3571 0.3571 0.1888 ( 4826 PWs) bands (ev): -0.1794 -0.1794 0.1073 0.1073 2.1658 2.1658 4.4295 4.4295 4.4992 4.4992 4.8625 4.8625 5.6757 5.6757 6.2934 6.2934 6.3012 6.3012 6.3484 6.3484 6.4289 6.4289 6.8554 6.8554 6.9702 6.9702 7.0510 7.0510 7.2825 7.2825 7.8542 7.8542 8.0183 8.0183 8.0372 8.0372 8.2526 8.2526 8.5899 8.5899 8.7117 8.7117 9.1810 9.1810 9.4536 9.4536 9.6119 9.6119 12.1411 12.1411 12.2080 12.2080 13.6736 13.6736 13.7966 13.7966 14.0293 14.0293 k = 0.3492 0.3492 0.1888 ( 4824 PWs) bands (ev): -0.2225 -0.2225 0.0911 0.0911 2.0565 2.0565 4.4476 4.4476 4.5465 4.5465 4.9053 4.9053 5.6913 5.6913 6.2907 6.2907 6.2977 6.2977 6.3403 6.3403 6.4473 6.4473 6.8538 6.8538 6.9900 6.9900 7.0737 7.0737 7.2536 7.2536 7.8617 7.8617 8.0188 8.0188 8.1835 8.1835 8.2738 8.2738 8.5467 8.5467 8.7603 8.7603 9.1790 9.1790 9.4694 9.4694 9.6327 9.6327 12.1564 12.1564 12.1809 12.1809 13.6056 13.6056 13.7661 13.7661 14.0209 14.0209 k = 0.3413 0.3413 0.1888 ( 4832 PWs) bands (ev): -0.2674 -0.2674 0.0733 0.0733 1.9499 1.9499 4.4683 4.4683 4.5963 4.5963 4.9500 4.9500 5.7014 5.7014 6.2865 6.2865 6.2907 6.2907 6.3343 6.3343 6.4680 6.4680 6.8530 6.8530 7.0091 7.0091 7.0975 7.0975 7.2279 7.2279 7.8695 7.8695 8.0175 8.0175 8.2872 8.2872 8.3423 8.3423 8.5060 8.5060 8.8096 8.8096 9.1768 9.1768 9.4861 9.4861 9.6504 9.6504 12.1522 12.1522 12.1782 12.1782 13.5377 13.5377 13.7368 13.7368 14.0055 14.0055 k = 0.3333 0.3333 0.1888 ( 4832 PWs) bands (ev): -0.3138 -0.3138 0.0539 0.0539 1.8461 1.8461 4.4917 4.4917 4.6485 4.6485 4.9966 4.9966 5.7054 5.7054 6.2794 6.2794 6.2818 6.2818 6.3314 6.3314 6.4920 6.4920 6.8539 6.8539 7.0252 7.0252 7.1223 7.1223 7.2078 7.2078 7.8776 7.8776 8.0165 8.0165 8.3098 8.3098 8.4565 8.4565 8.5055 8.5055 8.8586 8.8586 9.1746 9.1746 9.5035 9.5035 9.6650 9.6650 12.1237 12.1237 12.2063 12.2063 13.4700 13.4700 13.7084 13.7084 13.9818 13.9818 k = 0.3254 0.3254 0.1888 ( 4832 PWs) bands (ev): -0.3615 -0.3615 0.0327 0.0327 1.7453 1.7453 4.5175 4.5175 4.7032 4.7032 5.0451 5.0451 5.7028 5.7028 6.2636 6.2636 6.2766 6.2766 6.3323 6.3323 6.5194 6.5194 6.8567 6.8567 7.0347 7.0347 7.1474 7.1474 7.1970 7.1970 7.8859 7.8859 8.0159 8.0159 8.3281 8.3281 8.4320 8.4320 8.6507 8.6507 8.9080 8.9080 9.1725 9.1725 9.5215 9.5215 9.6766 9.6766 12.0962 12.0962 12.2410 12.2410 13.4023 13.4023 13.6811 13.6811 13.9511 13.9511 k = 0.3175 0.3175 0.1888 ( 4830 PWs) bands (ev): -0.4105 -0.4105 0.0097 0.0097 1.6475 1.6475 4.5452 4.5452 4.7603 4.7603 5.0954 5.0954 5.6934 5.6934 6.2440 6.2440 6.2713 6.2713 6.3374 6.3374 6.5503 6.5503 6.8611 6.8611 7.0347 7.0347 7.1716 7.1716 7.1998 7.1998 7.8943 7.8943 8.0158 8.0158 8.3399 8.3399 8.4120 8.4120 8.7943 8.7943 8.9633 8.9633 9.1705 9.1705 9.5401 9.5401 9.6854 9.6854 12.0708 12.0708 12.2823 12.2823 13.3344 13.3344 13.6546 13.6546 13.9162 13.9162 k = 0.3095 0.3095 0.1888 ( 4834 PWs) bands (ev): -0.4605 -0.4605 -0.0152 -0.0152 1.5530 1.5530 4.5747 4.5747 4.8197 4.8197 5.1474 5.1474 5.6776 5.6776 6.2212 6.2212 6.2658 6.2658 6.3469 6.3469 6.5844 6.5844 6.8666 6.8666 7.0261 7.0261 7.1938 7.1938 7.2164 7.2164 7.9026 7.9026 8.0165 8.0165 8.3373 8.3373 8.4110 8.4110 8.9071 8.9071 9.0456 9.0456 9.1691 9.1691 9.5592 9.5592 9.6916 9.6916 12.0484 12.0484 12.3299 12.3299 13.2663 13.2663 13.6289 13.6289 13.8803 13.8803 k = 0.3016 0.3016 0.1888 ( 4830 PWs) bands (ev): -0.5115 -0.5115 -0.0420 -0.0420 1.4617 1.4617 4.6053 4.6053 4.8816 4.8816 5.2011 5.2011 5.6560 5.6560 6.1959 6.1959 6.2602 6.2602 6.3607 6.3607 6.6212 6.6212 6.8723 6.8723 7.0132 7.0132 7.2161 7.2161 7.2411 7.2411 7.9105 7.9105 8.0182 8.0182 8.3244 8.3244 8.4258 8.4258 8.9704 8.9704 9.1559 9.1559 9.1848 9.1848 9.5786 9.5786 9.6956 9.6956 12.0294 12.0294 12.3835 12.3835 13.1978 13.1978 13.6039 13.6039 13.8462 13.8462 k = 0.2937 0.2937 0.1888 ( 4822 PWs) bands (ev): -0.5632 -0.5632 -0.0708 -0.0708 1.3739 1.3739 4.6365 4.6365 4.9457 4.9457 5.2563 5.2563 5.6296 5.6296 6.1688 6.1688 6.2546 6.2546 6.3785 6.3785 6.6601 6.6601 6.8764 6.8764 7.0012 7.0012 7.2396 7.2396 7.2690 7.2690 7.9179 7.9179 8.0211 8.0211 8.3111 8.3111 8.4468 8.4468 9.0085 9.0085 9.1631 9.1631 9.3229 9.3229 9.5983 9.5983 9.6980 9.6980 12.0142 12.0142 12.4427 12.4427 13.1287 13.1287 13.5795 13.5795 13.8166 13.8166 k = 0.2857 0.2857 0.1888 ( 4822 PWs) bands (ev): -0.6155 -0.6155 -0.1015 -0.1015 1.2895 1.2895 4.6676 4.6676 5.0122 5.0122 5.3130 5.3130 5.5999 5.5999 6.1402 6.1402 6.2489 6.2489 6.3997 6.3997 6.7003 6.7003 6.8767 6.8767 6.9950 6.9950 7.2635 7.2635 7.2982 7.2982 7.9243 7.9243 8.0255 8.0255 8.3015 8.3015 8.4705 8.4705 9.0356 9.0356 9.1625 9.1625 9.4733 9.4733 9.6184 9.6184 9.6991 9.6991 12.0029 12.0029 12.5068 12.5068 13.0590 13.0590 13.5557 13.5557 13.7937 13.7937 k = 0.2778 0.2778 0.1888 ( 4840 PWs) bands (ev): -0.6682 -0.6682 -0.1342 -0.1342 1.2087 1.2087 4.6976 4.6976 5.0809 5.0809 5.3708 5.3708 5.5683 5.5683 6.1108 6.1108 6.2433 6.2433 6.4241 6.4241 6.7402 6.7402 6.8713 6.8713 6.9982 6.9982 7.2867 7.2867 7.3287 7.3287 7.9297 7.9297 8.0314 8.0314 8.2968 8.2968 8.4956 8.4956 9.0552 9.0552 9.1617 9.1617 9.6182 9.6182 9.6443 9.6443 9.6998 9.6998 11.9955 11.9955 12.5754 12.5754 12.9885 12.9885 13.5322 13.5322 13.7791 13.7791 k = 0.2698 0.2698 0.1888 ( 4842 PWs) bands (ev): -0.7212 -0.7212 -0.1688 -0.1688 1.1315 1.1315 4.7254 4.7254 5.1518 5.1518 5.4290 5.4290 5.5373 5.5373 6.0809 6.0809 6.2376 6.2376 6.4509 6.4509 6.7770 6.7770 6.8628 6.8628 7.0122 7.0122 7.3084 7.3084 7.3602 7.3602 7.9339 7.9339 8.0392 8.0392 8.2974 8.2974 8.5217 8.5217 9.0685 9.0685 9.1610 9.1610 9.6548 9.6548 9.7002 9.7002 9.7772 9.7772 11.9916 11.9916 12.6475 12.6475 12.9174 12.9174 13.5090 13.5090 13.7746 13.7746 k = 0.2619 0.2619 0.1888 ( 4858 PWs) bands (ev): -0.7743 -0.7743 -0.2053 -0.2053 1.0579 1.0579 4.7496 4.7496 5.2250 5.2250 5.4788 5.4788 5.5174 5.5174 6.0507 6.0507 6.2320 6.2320 6.4800 6.4800 6.8014 6.8014 6.8607 6.8607 7.0361 7.0361 7.3285 7.3285 7.3924 7.3924 7.9372 7.9372 8.0486 8.0486 8.3032 8.3032 8.5486 8.5486 9.0763 9.0763 9.1598 9.1598 9.6730 9.6730 9.7025 9.7025 9.9248 9.9248 11.9906 11.9906 12.7211 12.7211 12.8472 12.8472 13.4859 13.4859 13.7813 13.7813 k = 0.2540 0.2540 0.1888 ( 4862 PWs) bands (ev): -0.8273 -0.8273 -0.2435 -0.2435 0.9879 0.9879 4.7686 4.7686 5.3003 5.3003 5.4713 5.4713 5.5597 5.5597 6.0206 6.0206 6.2263 6.2263 6.5106 6.5106 6.8009 6.8009 6.8784 6.8784 7.0692 7.0692 7.3468 7.3468 7.4253 7.4253 7.9397 7.9397 8.0594 8.0594 8.3141 8.3141 8.5764 8.5764 9.0793 9.0793 9.1579 9.1579 9.6871 9.6871 9.7089 9.7089 10.0706 10.0706 11.9921 11.9921 12.7551 12.7551 12.8183 12.8183 13.4628 13.4628 13.8001 13.8001 k = 0.2460 0.2460 0.1888 ( 4862 PWs) bands (ev): -0.8802 -0.8802 -0.2833 -0.2833 0.9216 0.9216 4.7805 4.7805 5.3776 5.3776 5.4517 5.4517 5.6210 5.6210 5.9907 5.9907 6.2208 6.2208 6.5423 6.5423 6.7870 6.7870 6.9051 6.9051 7.1108 7.1108 7.3637 7.3637 7.4586 7.4586 7.9418 7.9418 8.0715 8.0715 8.3295 8.3295 8.6048 8.6048 9.0782 9.0782 9.1547 9.1547 9.6956 9.6956 9.7218 9.7218 10.2140 10.2140 11.9954 11.9954 12.6886 12.6886 12.8906 12.8906 13.4396 13.4396 13.8317 13.8317 k = 0.2381 0.2381 0.1888 ( 4858 PWs) bands (ev): -0.9327 -0.9327 -0.3247 -0.3247 0.8587 0.8587 4.7837 4.7837 5.4366 5.4366 5.4587 5.4587 5.6846 5.6846 5.9613 5.9613 6.2153 6.2153 6.5742 6.5742 6.7704 6.7704 6.9317 6.9317 7.1597 7.1597 7.3796 7.3796 7.4919 7.4919 7.9438 7.9438 8.0848 8.0848 8.3486 8.3486 8.6339 8.6339 9.0731 9.0731 9.1505 9.1505 9.7024 9.7024 9.7378 9.7378 10.3549 10.3549 12.0001 12.0001 12.6128 12.6128 12.9726 12.9726 13.4163 13.4163 13.8760 13.8760 k = 0.2302 0.2302 0.1888 ( 4854 PWs) bands (ev): -0.9848 -0.9848 -0.3673 -0.3673 0.7992 0.7992 4.7772 4.7772 5.4325 5.4325 5.5393 5.5393 5.7494 5.7494 5.9324 5.9324 6.2098 6.2098 6.6050 6.6050 6.7545 6.7545 6.9567 6.9567 7.2142 7.2142 7.3954 7.3954 7.5250 7.5250 7.9461 7.9461 8.0987 8.0987 8.3708 8.3708 8.6636 8.6636 9.0640 9.0640 9.1455 9.1455 9.7106 9.7106 9.7541 9.7541 10.4932 10.4932 12.0060 12.0060 12.5346 12.5346 13.0565 13.0565 13.3928 13.3928 13.9326 13.9326 k = 0.2222 0.2222 0.1888 ( 4864 PWs) bands (ev): -1.0362 -1.0362 -0.4110 -0.4110 0.7431 0.7431 4.7608 4.7608 5.4365 5.4365 5.6227 5.6227 5.8146 5.8146 5.9047 5.9047 6.2046 6.2046 6.6317 6.6317 6.7426 6.7426 6.9803 6.9803 7.2726 7.2726 7.4121 7.4121 7.5576 7.5576 7.9489 7.9489 8.1133 8.1133 8.3949 8.3949 8.6939 8.6939 9.0508 9.0508 9.1405 9.1405 9.7216 9.7216 9.7698 9.7698 10.6289 10.6289 12.0129 12.0129 12.4547 12.4547 13.1410 13.1410 13.3692 13.3692 14.0002 14.0002 k = 0.2143 0.2143 0.1888 ( 4872 PWs) bands (ev): -1.0870 -1.0870 -0.4555 -0.4555 0.6902 0.6902 4.7354 4.7354 5.4489 5.4489 5.7080 5.7080 5.8682 5.8682 5.8902 5.8902 6.1995 6.1995 6.6483 6.6483 6.7406 6.7406 7.0029 7.0029 7.3326 7.3326 7.4316 7.4316 7.5891 7.5891 7.9529 7.9529 8.1283 8.1283 8.4203 8.4203 8.7246 8.7246 9.0335 9.0335 9.1357 9.1357 9.7361 9.7361 9.7846 9.7846 10.7619 10.7619 12.0211 12.0211 12.3733 12.3733 13.2249 13.2249 13.3458 13.3458 14.0220 14.0220 k = 0.2063 0.2063 0.1888 ( 4872 PWs) bands (ev): -1.1368 -1.1368 -0.5007 -0.5007 0.6403 0.6403 4.7025 4.7025 5.4683 5.4683 5.7943 5.7943 5.8490 5.8490 5.9506 5.9506 6.1946 6.1946 6.6496 6.6496 6.7533 6.7533 7.0252 7.0252 7.3901 7.3901 7.4579 7.4579 7.6192 7.6192 7.9584 7.9584 8.1437 8.1437 8.4458 8.4458 8.7559 8.7559 9.0122 9.0122 9.1314 9.1314 9.7545 9.7545 9.7982 9.7982 10.8922 10.8922 12.0309 12.0309 12.2906 12.2906 13.3026 13.3026 13.3268 13.3268 13.9641 13.9641 k = 0.1984 0.1984 0.1888 ( 4878 PWs) bands (ev): -1.1858 -1.1858 -0.5462 -0.5462 0.5933 0.5933 4.6638 4.6638 5.4932 5.4932 5.8208 5.8208 5.8861 5.8861 6.0173 6.0173 6.1903 6.1903 6.6400 6.6400 6.7756 6.7756 7.0473 7.0473 7.4367 7.4367 7.4995 7.4995 7.6473 7.6473 7.9662 7.9662 8.1593 8.1593 8.4708 8.4708 8.7874 8.7874 8.9876 8.9876 9.1277 9.1277 9.7768 9.7768 9.8110 9.8110 11.0196 11.0196 12.0430 12.0430 12.2067 12.2067 13.2963 13.2963 13.3881 13.3881 13.9091 13.9091 k = 0.1905 0.1905 0.1888 ( 4878 PWs) bands (ev): -1.2336 -1.2336 -0.5918 -0.5918 0.5490 0.5490 4.6210 4.6210 5.5220 5.5220 5.7968 5.7968 5.9757 5.9757 6.0840 6.0840 6.1873 6.1873 6.6258 6.6258 6.8007 6.8007 7.0694 7.0694 7.4718 7.4718 7.5574 7.5574 7.6728 7.6728 7.9767 7.9767 8.1750 8.1750 8.4945 8.4945 8.8192 8.8192 8.9600 8.9600 9.1244 9.1244 9.8006 9.8006 9.8253 9.8253 11.1438 11.1438 12.0575 12.0575 12.1227 12.1227 13.2736 13.2736 13.4582 13.4582 13.8606 13.8606 k = 0.1825 0.1825 0.1888 ( 4882 PWs) bands (ev): -1.2803 -1.2803 -0.6372 -0.6372 0.5073 0.5073 4.5753 4.5753 5.5533 5.5533 5.7732 5.7732 6.0663 6.0663 6.1462 6.1462 6.1906 6.1906 6.6101 6.6101 6.8250 6.8250 7.0916 7.0916 7.5048 7.5048 7.6216 7.6216 7.6953 7.6953 7.9905 7.9905 8.1907 8.1907 8.5163 8.5163 8.8511 8.8511 8.9303 8.9303 9.1216 9.1216 9.8172 9.8172 9.8499 9.8499 11.2644 11.2644 12.0328 12.0328 12.0814 12.0814 13.2512 13.2512 13.5118 13.5118 13.8264 13.8264 k = 0.1746 0.1746 0.1888 ( 4874 PWs) bands (ev): -1.3256 -1.3256 -0.6823 -0.6823 0.4681 0.4681 4.5281 4.5281 5.5862 5.5862 5.7507 5.7507 6.1440 6.1440 6.1861 6.1861 6.2308 6.2308 6.5940 6.5940 6.8469 6.8469 7.1138 7.1138 7.5408 7.5408 7.6853 7.6853 7.7166 7.7166 8.0081 8.0081 8.2065 8.2065 8.5359 8.5359 8.8820 8.8820 8.8997 8.8997 9.1189 9.1189 9.8249 9.8249 9.8864 9.8864 11.3806 11.3806 11.9482 11.9482 12.1053 12.1053 13.2296 13.2296 13.5337 13.5337 13.8193 13.8193 k = 0.1667 0.1667 0.1888 ( 4866 PWs) bands (ev): -1.3696 -1.3696 -0.7267 -0.7267 0.4313 0.4313 4.4800 4.4800 5.6192 5.6192 5.7299 5.7299 6.1591 6.1591 6.2660 6.2660 6.2953 6.2953 6.5781 6.5781 6.8659 6.8659 7.1361 7.1361 7.5812 7.5812 7.7220 7.7220 7.7609 7.7609 8.0296 8.0296 8.2222 8.2222 8.5529 8.5529 8.8656 8.8656 8.9151 8.9151 9.1166 9.1166 9.8282 9.8282 9.9299 9.9299 11.4914 11.4914 11.8622 11.8622 12.1375 12.1375 13.2091 13.2091 13.5174 13.5174 13.8410 13.8410 k = 0.1587 0.1587 0.1888 ( 4868 PWs) bands (ev): -1.4121 -1.4121 -0.7702 -0.7702 0.3966 0.3966 4.4318 4.4318 5.6496 5.6496 5.7130 5.7130 6.1577 6.1577 6.3603 6.3603 6.3629 6.3629 6.5627 6.5627 6.8815 6.8815 7.1583 7.1583 7.6265 7.6265 7.7345 7.7345 7.8242 7.8242 8.0547 8.0547 8.2377 8.2377 8.5672 8.5672 8.8328 8.8328 8.9458 8.9458 9.1143 9.1143 9.8281 9.8281 9.9789 9.9789 11.5955 11.5955 11.7764 11.7764 12.1788 12.1788 13.1901 13.1901 13.4754 13.4754 13.8653 13.8653 k = 0.1508 0.1508 0.1888 ( 4864 PWs) bands (ev): -1.4531 -1.4531 -0.8127 -0.8127 0.3640 0.3640 4.3841 4.3841 5.6658 5.6658 5.7116 5.7116 6.1545 6.1545 6.4275 6.4275 6.4597 6.4597 6.5488 6.5488 6.8939 6.8939 7.1806 7.1806 7.6765 7.6765 7.7419 7.7419 7.8871 7.8871 8.0829 8.0829 8.2530 8.2530 8.5790 8.5790 8.8002 8.8002 8.9757 8.9757 9.1121 9.1121 9.8249 9.8249 10.0327 10.0327 11.6891 11.6891 11.6939 11.6939 12.2305 12.2305 13.1729 13.1729 13.4207 13.4207 13.8571 13.8571 k = 0.1429 0.1429 0.1888 ( 4864 PWs) bands (ev): -1.4924 -1.4924 -0.8540 -0.8540 0.3334 0.3334 4.3373 4.3373 5.6572 5.6572 5.7354 5.7354 6.1509 6.1509 6.4877 6.4877 6.5400 6.5400 6.5602 6.5602 6.9033 6.9033 7.2029 7.2029 7.7300 7.7300 7.7468 7.7468 7.9469 7.9469 8.1137 8.1137 8.2682 8.2682 8.5883 8.5883 8.7688 8.7688 9.0041 9.0041 9.1100 9.1100 9.8185 9.8185 10.0907 10.0907 11.6080 11.6080 11.7788 11.7788 12.2934 12.2934 13.1578 13.1578 13.3596 13.3596 13.8163 13.8163 k = 0.1349 0.1349 0.1888 ( 4862 PWs) bands (ev): -1.5300 -1.5300 -0.8938 -0.8938 0.3047 0.3047 4.2917 4.2917 5.6419 5.6419 5.7664 5.7664 6.1473 6.1473 6.5073 6.5073 6.5726 6.5726 6.6611 6.6611 6.9099 6.9099 7.2255 7.2255 7.7464 7.7464 7.7897 7.7897 8.0025 8.0025 8.1464 8.1464 8.2833 8.2833 8.5954 8.5954 8.7396 8.7396 9.0307 9.0307 9.1077 9.1077 9.8090 9.8090 10.1524 10.1524 11.5267 11.5267 11.8573 11.8573 12.3673 12.3673 13.1450 13.1450 13.2953 13.2953 13.7623 13.7623 k = 0.1270 0.1270 0.1888 ( 4858 PWs) bands (ev): -1.5659 -1.5659 -0.9321 -0.9321 0.2779 0.2779 4.2477 4.2477 5.6259 5.6259 5.7983 5.7983 6.1438 6.1438 6.4978 6.4978 6.6336 6.6336 6.7634 6.7634 6.9143 6.9143 7.2483 7.2483 7.7457 7.7457 7.8502 7.8502 8.0522 8.0522 8.1803 8.1803 8.2987 8.2987 8.6006 8.6006 8.7139 8.7139 9.0546 9.0546 9.1053 9.1053 9.7964 9.7964 10.2169 10.2169 11.4485 11.4485 11.9287 11.9287 12.4506 12.4506 13.1346 13.1346 13.2291 13.2291 13.7036 13.7036 k = 0.1190 0.1190 0.1888 ( 4854 PWs) bands (ev): -1.5998 -1.5998 -0.9686 -0.9686 0.2529 0.2529 4.2055 4.2055 5.6104 5.6104 5.8297 5.8297 6.1405 6.1405 6.4858 6.4858 6.6965 6.6965 6.8666 6.8666 6.9167 6.9167 7.2715 7.2715 7.7429 7.7429 7.9127 7.9127 8.0943 8.0943 8.2144 8.2144 8.3147 8.3147 8.6042 8.6042 8.6933 8.6933 9.0752 9.0752 9.1027 9.1027 9.7807 9.7807 10.2837 10.2837 11.3741 11.3741 11.9950 11.9950 12.5407 12.5407 13.1261 13.1261 13.1627 13.1627 13.6405 13.6405 k = 0.1111 0.1111 0.1888 ( 4858 PWs) bands (ev): -1.6319 -1.6319 -1.0033 -1.0033 0.2296 0.2296 4.1653 4.1653 5.5957 5.5957 5.8601 5.8601 6.1373 6.1373 6.4738 6.4738 6.7584 6.7584 6.9176 6.9176 6.9709 6.9709 7.2952 7.2952 7.7385 7.7385 7.9763 7.9763 8.1270 8.1270 8.2475 8.2475 8.3327 8.3327 8.6066 8.6066 8.6792 8.6792 9.0914 9.0914 9.0997 9.0997 9.7621 9.7621 10.3521 10.3521 11.3044 11.3044 12.0586 12.0586 12.6347 12.6347 13.0920 13.0920 13.1242 13.1242 13.5363 13.5363 k = 0.1032 0.1032 0.1888 ( 4850 PWs) bands (ev): -1.6620 -1.6620 -1.0360 -1.0360 0.2080 0.2080 4.1273 4.1273 5.5820 5.5820 5.8893 5.8893 6.1344 6.1344 6.4622 6.4622 6.8179 6.8179 6.9184 6.9184 7.0755 7.0755 7.3193 7.3193 7.7328 7.7328 8.0398 8.0398 8.1487 8.1487 8.2776 8.2776 8.3543 8.3543 8.6087 8.6087 8.6727 8.6727 9.0958 9.0958 9.1031 9.1031 9.7408 9.7408 10.4214 10.4214 11.2405 11.2405 12.1212 12.1212 12.7298 12.7298 13.0257 13.0257 13.1208 13.1208 13.4030 13.4030 k = 0.0952 0.0952 0.1888 ( 4846 PWs) bands (ev): -1.6901 -1.6901 -1.0667 -1.0667 0.1881 0.1881 4.0916 4.0916 5.5692 5.5692 5.9171 5.9171 6.1318 6.1318 6.4512 6.4512 6.8707 6.8707 6.9232 6.9232 7.1805 7.1805 7.3439 7.3439 7.7257 7.7257 8.1021 8.1021 8.1587 8.1587 8.3027 8.3027 8.3815 8.3815 8.6109 8.6109 8.6743 8.6743 9.0915 9.0915 9.1084 9.1084 9.7171 9.7171 10.4908 10.4908 11.1833 11.1833 12.1843 12.1843 12.8232 12.8232 12.9596 12.9596 13.1204 13.1204 13.2713 13.2713 k = 0.0873 0.0873 0.1888 ( 4856 PWs) bands (ev): -1.7161 -1.7161 -1.0952 -1.0952 0.1698 0.1698 4.0584 4.0584 5.5574 5.5574 5.9432 5.9432 6.1296 6.1296 6.4408 6.4408 6.8966 6.8966 6.9519 6.9519 7.2857 7.2857 7.3688 7.3688 7.7175 7.7175 8.1535 8.1535 8.1665 8.1665 8.3223 8.3223 8.4142 8.4142 8.6139 8.6139 8.6832 8.6832 9.0861 9.0861 9.1068 9.1068 9.6915 9.6915 10.5596 10.5596 11.1337 11.1337 12.2488 12.2488 12.8895 12.8895 12.9178 12.9178 13.1172 13.1172 13.1486 13.1486 k = 0.0794 0.0794 0.1888 ( 4852 PWs) bands (ev): -1.7400 -1.7400 -1.1215 -1.1215 0.1531 0.1531 4.0278 4.0278 5.5467 5.5467 5.9676 5.9676 6.1279 6.1279 6.4311 6.4311 6.8988 6.8988 7.0016 7.0016 7.3901 7.3901 7.3946 7.3946 7.7082 7.7082 8.1458 8.1458 8.2207 8.2207 8.3378 8.3378 8.4512 8.4512 8.6179 8.6179 8.6983 8.6983 9.0792 9.0792 9.0978 9.0978 9.6644 9.6644 10.6270 10.6270 11.0925 11.0925 12.3151 12.3151 12.8296 12.8296 12.9952 12.9952 13.0193 13.0193 13.1305 13.1305 k = 0.0714 0.0714 0.1888 ( 4858 PWs) bands (ev): -1.7617 -1.7617 -1.1455 -1.1455 0.1381 0.1381 3.9998 3.9998 5.5370 5.5370 5.9899 5.9899 6.1267 6.1267 6.4222 6.4222 6.8964 6.8964 7.0531 7.0531 7.4193 7.4193 7.4951 7.4951 7.6980 7.6980 8.1284 8.1284 8.2730 8.2730 8.3503 8.3503 8.4906 8.4906 8.6235 8.6235 8.7173 8.7173 9.0699 9.0699 9.0814 9.0814 9.6365 9.6365 10.6922 10.6922 11.0602 11.0602 12.3835 12.3835 12.7691 12.7691 12.8981 12.8981 13.0737 13.0737 13.1366 13.1366 k = 0.0635 0.0635 0.1888 ( 4854 PWs) bands (ev): -1.7813 -1.7813 -1.1671 -1.1671 0.1247 0.1247 3.9746 3.9746 5.5284 5.5284 6.0100 6.0100 6.1261 6.1261 6.4140 6.4140 6.8928 6.8928 7.1029 7.1029 7.4446 7.4446 7.5986 7.5986 7.6869 7.6869 8.1060 8.1060 8.3196 8.3196 8.3608 8.3608 8.5315 8.5315 8.6314 8.6314 8.7385 8.7385 9.0508 9.0508 9.0644 9.0644 9.6085 9.6085 10.7543 10.7543 11.0368 11.0368 12.4536 12.4536 12.7119 12.7119 12.7869 12.7869 13.1298 13.1298 13.1520 13.1520 k = 0.0556 0.0556 0.1888 ( 4852 PWs) bands (ev): -1.7986 -1.7986 -1.1863 -1.1863 0.1128 0.1128 3.9522 3.9522 5.5207 5.5207 6.0275 6.0275 6.1264 6.1264 6.4066 6.4066 6.8888 6.8888 7.1500 7.1500 7.4694 7.4694 7.6751 7.6751 7.7006 7.7006 8.0807 8.0807 8.3590 8.3590 8.3698 8.3698 8.5731 8.5731 8.6421 8.6421 8.7600 8.7600 9.0176 9.0176 9.0508 9.0508 9.5811 9.5811 10.8124 10.8124 11.0219 11.0219 12.5242 12.5242 12.6596 12.6596 12.6833 12.6833 13.1443 13.1443 13.1948 13.1948 k = 0.0476 0.0476 0.1888 ( 4848 PWs) bands (ev): -1.8137 -1.8137 -1.2030 -1.2030 0.1026 0.1026 3.9327 3.9327 5.5141 5.5141 6.0423 6.0423 6.1275 6.1275 6.4001 6.4001 6.8848 6.8848 7.1939 7.1939 7.4932 7.4932 7.6633 7.6633 7.8000 7.8000 8.0541 8.0541 8.3769 8.3769 8.3912 8.3912 8.6145 8.6145 8.6562 8.6562 8.7806 8.7806 8.9758 8.9758 9.0355 9.0355 9.5552 9.5552 10.8655 10.8655 11.0149 11.0149 12.5769 12.5769 12.5926 12.5926 12.6268 12.6268 13.1478 13.1478 13.2018 13.2018 k = 0.0397 0.0397 0.1888 ( 4848 PWs) bands (ev): -1.8265 -1.8265 -1.2172 -1.2172 0.0939 0.0939 3.9161 3.9161 5.5085 5.5085 6.0540 6.0540 6.1296 6.1296 6.3944 6.3944 6.8811 6.8811 7.2340 7.2340 7.5150 7.5150 7.6519 7.6519 7.8960 7.8960 8.0276 8.0276 8.3833 8.3833 8.4153 8.4153 8.6526 8.6526 8.6756 8.6756 8.7993 8.7993 8.9275 8.9275 9.0172 9.0172 9.5317 9.5317 10.9124 10.9124 11.0144 11.0144 12.5020 12.5020 12.5592 12.5592 12.6804 12.6804 13.1396 13.1396 13.1862 13.1862 k = 0.0317 0.0317 0.1888 ( 4844 PWs) bands (ev): -1.8370 -1.8370 -1.2289 -1.2289 0.0868 0.0868 3.9024 3.9024 5.5039 5.5039 6.0627 6.0627 6.1324 6.1324 6.3897 6.3897 6.8778 6.8778 7.2697 7.2697 7.5334 7.5334 7.6421 7.6421 7.9867 7.9867 8.0025 8.0025 8.3887 8.3887 8.4326 8.4326 8.6789 8.6789 8.7071 8.7071 8.8155 8.8155 8.8748 8.8748 8.9958 8.9958 9.5114 9.5114 10.9519 10.9519 11.0190 11.0190 12.4291 12.4291 12.5235 12.5235 12.7511 12.7511 13.1201 13.1201 13.1833 13.1833 k = 0.0238 0.0238 0.1888 ( 4830 PWs) bands (ev): -1.8451 -1.8451 -1.2380 -1.2380 0.0813 0.0813 3.8918 3.8918 5.5003 5.5003 6.0688 6.0688 6.1356 6.1356 6.3860 6.3860 6.8751 6.8751 7.2999 7.2999 7.5466 7.5466 7.6356 7.6356 7.9803 7.9803 8.0692 8.0692 8.3933 8.3933 8.4443 8.4443 8.6958 8.6958 8.7452 8.7452 8.8209 8.8209 8.8295 8.8295 8.9709 8.9709 9.4949 9.4949 10.9823 10.9823 11.0273 11.0273 12.3696 12.3696 12.4939 12.4939 12.8199 12.8199 13.1002 13.1002 13.1828 13.1828 k = 0.0159 0.0159 0.1888 ( 4828 PWs) bands (ev): -1.8510 -1.8510 -1.2445 -1.2445 0.0773 0.0773 3.8842 3.8842 5.4978 5.4978 6.0726 6.0726 6.1385 6.1385 6.3833 6.3833 6.8731 6.8731 7.3236 7.3236 7.5533 7.5533 7.6334 7.6334 7.9625 7.9625 8.1384 8.1384 8.3970 8.3970 8.4517 8.4517 8.7082 8.7082 8.7685 8.7685 8.7850 8.7850 8.8410 8.8410 8.9431 8.9431 9.4827 9.4827 11.0026 11.0026 11.0375 11.0375 12.3253 12.3253 12.4720 12.4720 12.8818 12.8818 13.0843 13.0843 13.1783 13.1783 k = 0.0079 0.0079 0.1888 ( 4832 PWs) bands (ev): -1.8545 -1.8545 -1.2484 -1.2484 0.0750 0.0750 3.8796 3.8796 5.4962 5.4962 6.0747 6.0747 6.1405 6.1405 6.3816 6.3816 6.8718 6.8718 7.3388 7.3388 7.5550 7.5550 7.6342 7.6342 7.9510 7.9510 8.1865 8.1865 8.3998 8.3998 8.4557 8.4557 8.7154 8.7154 8.7340 8.7340 8.8118 8.8118 8.8546 8.8546 8.9135 8.9135 9.4753 9.4753 11.0135 11.0135 11.0461 11.0461 12.2980 12.2980 12.4585 12.4585 12.9291 12.9291 13.0740 13.0740 13.1687 13.1687 k = 0.0000 0.0000 0.1888 ( 4832 PWs) bands (ev): -1.8557 -1.8557 -1.2497 -1.2497 0.0742 0.0742 3.8781 3.8781 5.4957 5.4957 6.0754 6.0754 6.1412 6.1412 6.3811 6.3811 6.8714 6.8714 7.3442 7.3442 7.5550 7.5550 7.6350 7.6350 7.9469 7.9469 8.2042 8.2042 8.4010 8.4010 8.4570 8.4570 8.7149 8.7149 8.7230 8.7230 8.8221 8.8221 8.8706 8.8706 8.8913 8.8913 9.4728 9.4728 11.0168 11.0168 11.0494 11.0494 12.2888 12.2888 12.4539 12.4539 12.9481 12.9481 13.0702 13.0702 13.1626 13.1626 k = 0.0000 0.5000-0.0000 ( 4864 PWs) bands (ev): -0.2992 -0.2992 -0.2992 -0.2992 2.0628 2.0628 2.0628 2.0628 4.4249 4.4249 4.4249 4.4249 6.2965 6.2965 6.2965 6.2965 6.6051 6.6051 6.6051 6.6051 7.1841 7.1841 7.1841 7.1841 7.3502 7.3502 7.3502 7.3502 7.7305 7.7305 7.7305 7.7305 8.7553 8.7553 8.7553 8.7553 8.9810 8.9810 8.9810 8.9810 9.2107 9.2107 9.2107 9.2107 10.8438 10.8438 10.8438 10.8438 11.3589 11.3589 11.3589 11.3589 13.8423 13.8423 13.8423 13.8423 14.0439 14.0439 k = 0.0000 0.5000 0.0111 ( 4834 PWs) bands (ev): -0.2992 -0.2992 -0.2992 -0.2992 2.0624 2.0624 2.0624 2.0624 4.4263 4.4263 4.4263 4.4263 6.2956 6.2956 6.2956 6.2956 6.6051 6.6051 6.6051 6.6051 7.1846 7.1846 7.1846 7.1846 7.3505 7.3505 7.3505 7.3505 7.7306 7.7306 7.7306 7.7306 8.7252 8.7252 8.7252 8.7252 9.0118 9.0118 9.0118 9.0118 9.2104 9.2104 9.2104 9.2104 10.8452 10.8452 10.8452 10.8452 11.3585 11.3585 11.3585 11.3585 13.8429 13.8429 13.8429 13.8429 14.0374 14.0374 k = 0.0000 0.5000 0.0222 ( 4842 PWs) bands (ev): -0.2991 -0.2991 -0.2991 -0.2991 2.0613 2.0613 2.0613 2.0613 4.4306 4.4306 4.4306 4.4306 6.2929 6.2929 6.2929 6.2929 6.6049 6.6049 6.6049 6.6049 7.1860 7.1860 7.1860 7.1860 7.3512 7.3512 7.3512 7.3512 7.7304 7.7304 7.7304 7.7304 8.6605 8.6605 8.6605 8.6605 9.0784 9.0784 9.0784 9.0784 9.2098 9.2098 9.2098 9.2098 10.8493 10.8493 10.8493 10.8493 11.3572 11.3572 11.3572 11.3572 13.8447 13.8447 13.8447 13.8447 14.0184 14.0184 k = 0.0000 0.5000 0.0333 ( 4838 PWs) bands (ev): -0.2989 -0.2989 -0.2989 -0.2989 2.0594 2.0594 2.0594 2.0594 4.4376 4.4376 4.4376 4.4376 6.2884 6.2884 6.2884 6.2884 6.6046 6.6046 6.6046 6.6046 7.1883 7.1883 7.1883 7.1883 7.3525 7.3525 7.3525 7.3525 7.7302 7.7302 7.7302 7.7302 8.5856 8.5856 8.5856 8.5856 9.1539 9.1539 9.1539 9.1539 9.2112 9.2112 9.2112 9.2112 10.8561 10.8561 10.8561 10.8561 11.3550 11.3550 11.3550 11.3550 13.8475 13.8475 13.8475 13.8475 13.9887 13.9887 k = 0.0000 0.5000 0.0444 ( 4846 PWs) bands (ev): -0.2986 -0.2986 -0.2986 -0.2986 2.0568 2.0568 2.0568 2.0568 4.4470 4.4470 4.4470 4.4470 6.2822 6.2822 6.2822 6.2822 6.6043 6.6043 6.6043 6.6043 7.1915 7.1915 7.1915 7.1915 7.3543 7.3543 7.3543 7.3543 7.7298 7.7298 7.7298 7.7298 8.5086 8.5086 8.5086 8.5086 9.1954 9.1954 9.1954 9.1954 9.2494 9.2494 9.2494 9.2494 10.8653 10.8653 10.8653 10.8653 11.3520 11.3520 11.3520 11.3520 13.8511 13.8511 13.8511 13.8511 13.9507 13.9507 k = 0.0000 0.5000 0.0555 ( 4850 PWs) bands (ev): -0.2983 -0.2983 -0.2983 -0.2983 2.0537 2.0537 2.0537 2.0537 4.4588 4.4588 4.4588 4.4588 6.2745 6.2745 6.2745 6.2745 6.6039 6.6039 6.6039 6.6039 7.1953 7.1953 7.1953 7.1953 7.3567 7.3567 7.3567 7.3567 7.7293 7.7293 7.7293 7.7293 8.4324 8.4324 8.4324 8.4324 9.1959 9.1959 9.1959 9.1959 9.3285 9.3285 9.3285 9.3285 10.8767 10.8767 10.8767 10.8767 11.3481 11.3481 11.3481 11.3481 13.8542 13.8542 13.8542 13.8543 13.9078 13.9078 k = 0.0000 0.5000 0.0666 ( 4850 PWs) bands (ev): -0.2980 -0.2980 -0.2980 -0.2980 2.0501 2.0501 2.0501 2.0501 4.4724 4.4724 4.4724 4.4724 6.2655 6.2655 6.2655 6.2655 6.6035 6.6035 6.6035 6.6035 7.1998 7.1998 7.1998 7.1998 7.3599 7.3599 7.3599 7.3599 7.7287 7.7287 7.7287 7.7287 8.3586 8.3586 8.3586 8.3586 9.1926 9.1926 9.1926 9.1926 9.4096 9.4096 9.4096 9.4096 10.8898 10.8898 10.8898 10.8898 11.3435 11.3435 11.3435 11.3435 13.8453 13.8453 13.8453 13.8453 13.8739 13.8739 k = 0.0000 0.5000 0.0777 ( 4852 PWs) bands (ev): -0.2976 -0.2976 -0.2976 -0.2976 2.0463 2.0463 2.0463 2.0463 4.4875 4.4875 4.4875 4.4875 6.2553 6.2553 6.2553 6.2553 6.6030 6.6030 6.6030 6.6030 7.2048 7.2048 7.2048 7.2048 7.3637 7.3637 7.3637 7.3637 7.7279 7.7279 7.7279 7.7279 8.2881 8.2881 8.2881 8.2881 9.1884 9.1884 9.1884 9.1884 9.4889 9.4889 9.4889 9.4889 10.9043 10.9043 10.9043 10.9043 11.3381 11.3381 11.3381 11.3381 13.8024 13.8024 13.8024 13.8024 13.8727 13.8727 k = 0.0000 0.5000 0.0889 ( 4844 PWs) bands (ev): -0.2971 -0.2971 -0.2971 -0.2971 2.0422 2.0422 2.0422 2.0422 4.5036 4.5036 4.5036 4.5036 6.2443 6.2443 6.2443 6.2443 6.6026 6.6026 6.6026 6.6026 7.2100 7.2100 7.2100 7.2100 7.3684 7.3684 7.3684 7.3684 7.7268 7.7268 7.7268 7.7268 8.2215 8.2215 8.2215 8.2215 9.1839 9.1839 9.1839 9.1839 9.5650 9.5650 9.5650 9.5650 10.9198 10.9198 10.9198 10.9198 11.3320 11.3320 11.3320 11.3320 13.7533 13.7533 13.7533 13.7533 13.8777 13.8777 k = 0.0000 0.5000 0.1000 ( 4844 PWs) bands (ev): -0.2967 -0.2967 -0.2967 -0.2967 2.0381 2.0381 2.0381 2.0381 4.5202 4.5202 4.5202 4.5202 6.2328 6.2328 6.2328 6.2328 6.6022 6.6022 6.6022 6.6022 7.2154 7.2154 7.2154 7.2154 7.3739 7.3739 7.3739 7.3739 7.7255 7.7255 7.7255 7.7255 8.1595 8.1595 8.1595 8.1595 9.1793 9.1793 9.1793 9.1793 9.6369 9.6369 9.6369 9.6369 10.9357 10.9357 10.9357 10.9357 11.3255 11.3255 11.3255 11.3255 13.7049 13.7049 13.7049 13.7049 13.8834 13.8834 k = 0.0000 0.5000 0.1111 ( 4840 PWs) bands (ev): -0.2963 -0.2963 -0.2963 -0.2963 2.0340 2.0340 2.0340 2.0340 4.5368 4.5368 4.5368 4.5368 6.2211 6.2211 6.2211 6.2211 6.6018 6.6018 6.6018 6.6018 7.2206 7.2206 7.2206 7.2206 7.3802 7.3802 7.3802 7.3802 7.7238 7.7238 7.7238 7.7238 8.1027 8.1027 8.1027 8.1027 9.1747 9.1747 9.1747 9.1747 9.7035 9.7035 9.7035 9.7035 10.9515 10.9515 10.9515 10.9515 11.3187 11.3187 11.3187 11.3187 13.6591 13.6591 13.6591 13.6591 13.8890 13.8890 k = 0.0000 0.5000 0.1222 ( 4842 PWs) bands (ev): -0.2959 -0.2959 -0.2959 -0.2959 2.0302 2.0302 2.0302 2.0302 4.5528 4.5528 4.5528 4.5528 6.2097 6.2097 6.2097 6.2097 6.6014 6.6014 6.6014 6.6014 7.2254 7.2254 7.2254 7.2254 7.3872 7.3872 7.3872 7.3872 7.7217 7.7217 7.7217 7.7217 8.0518 8.0518 8.0518 8.0518 9.1704 9.1704 9.1704 9.1704 9.7638 9.7638 9.7638 9.7638 10.9667 10.9667 10.9667 10.9667 11.3117 11.3117 11.3117 11.3117 13.6171 13.6171 13.6171 13.6171 13.8942 13.8942 k = 0.0000 0.5000 0.1333 ( 4830 PWs) bands (ev): -0.2955 -0.2955 -0.2955 -0.2955 2.0268 2.0268 2.0268 2.0268 4.5676 4.5676 4.5676 4.5676 6.1991 6.1991 6.1991 6.1991 6.6011 6.6011 6.6011 6.6011 7.2298 7.2298 7.2298 7.2298 7.3948 7.3948 7.3948 7.3948 7.7191 7.7191 7.7191 7.7191 8.0073 8.0073 8.0073 8.0073 9.1665 9.1665 9.1665 9.1665 9.8170 9.8170 9.8170 9.8170 10.9807 10.9807 10.9807 10.9807 11.3050 11.3050 11.3050 11.3050 13.5798 13.5798 13.5798 13.5798 13.8986 13.8986 k = 0.0000 0.5000 0.1444 ( 4844 PWs) bands (ev): -0.2952 -0.2952 -0.2952 -0.2952 2.0238 2.0238 2.0238 2.0238 4.5806 4.5806 4.5806 4.5806 6.1895 6.1895 6.1895 6.1895 6.6008 6.6008 6.6008 6.6008 7.2336 7.2336 7.2336 7.2336 7.4024 7.4024 7.4024 7.4024 7.7160 7.7160 7.7160 7.7160 7.9700 7.9700 7.9700 7.9700 9.1631 9.1631 9.1631 9.1631 9.8621 9.8621 9.8621 9.8621 10.9930 10.9930 10.9930 10.9930 11.2988 11.2988 11.2988 11.2988 13.5481 13.5481 13.5481 13.5481 13.9023 13.9023 k = 0.0000 0.5000 0.1555 ( 4844 PWs) bands (ev): -0.2949 -0.2949 -0.2949 -0.2949 2.0214 2.0214 2.0214 2.0214 4.5914 4.5914 4.5914 4.5914 6.1816 6.1816 6.1816 6.1816 6.6006 6.6006 6.6006 6.6006 7.2366 7.2366 7.2366 7.2366 7.4096 7.4096 7.4096 7.4096 7.7128 7.7128 7.7128 7.7128 7.9405 7.9405 7.9405 7.9405 9.1603 9.1603 9.1603 9.1603 9.8982 9.8982 9.8982 9.8982 11.0031 11.0031 11.0031 11.0031 11.2934 11.2934 11.2934 11.2934 13.5227 13.5227 13.5227 13.5227 13.9051 13.9051 k = 0.0000 0.5000 0.1666 ( 4856 PWs) bands (ev): -0.2947 -0.2947 -0.2947 -0.2947 2.0196 2.0196 2.0196 2.0196 4.5994 4.5994 4.5994 4.5994 6.1757 6.1757 6.1757 6.1757 6.6005 6.6005 6.6005 6.6005 7.2387 7.2387 7.2387 7.2387 7.4155 7.4155 7.4155 7.4155 7.7096 7.7096 7.7096 7.7096 7.9192 7.9192 7.9192 7.9192 9.1583 9.1583 9.1583 9.1583 9.9246 9.9246 9.9246 9.9246 11.0106 11.0106 11.0106 11.0106 11.2893 11.2893 11.2893 11.2893 13.5042 13.5042 13.5042 13.5042 13.9071 13.9071 k = 0.0000 0.5000 0.1777 ( 4852 PWs) bands (ev): -0.2946 -0.2946 -0.2946 -0.2946 2.0185 2.0185 2.0185 2.0185 4.6043 4.6043 4.6043 4.6043 6.1720 6.1720 6.1720 6.1720 6.6004 6.6004 6.6004 6.6004 7.2400 7.2400 7.2400 7.2400 7.4195 7.4195 7.4195 7.4195 7.7074 7.7074 7.7074 7.7074 7.9064 7.9064 7.9064 7.9064 9.1570 9.1570 9.1570 9.1570 9.9407 9.9407 9.9407 9.9407 11.0153 11.0153 11.0153 11.0153 11.2867 11.2867 11.2867 11.2867 13.4929 13.4929 13.4929 13.4929 13.9083 13.9083 k = 0.0000 0.5000 0.1888 ( 4856 PWs) bands (ev): -0.2946 -0.2946 -0.2946 -0.2946 2.0181 2.0181 2.0181 2.0181 4.6060 4.6060 4.6060 4.6060 6.1707 6.1707 6.1707 6.1707 6.6003 6.6003 6.6003 6.6003 7.2405 7.2405 7.2405 7.2405 7.4209 7.4209 7.4209 7.4209 7.7065 7.7065 7.7065 7.7065 7.9022 7.9022 7.9022 7.9022 9.1566 9.1566 9.1566 9.1566 9.9461 9.9461 9.9461 9.9461 11.0169 11.0169 11.0169 11.0169 11.2858 11.2858 11.2858 11.2858 13.4891 13.4891 13.4891 13.4891 13.9087 13.9087 k = 0.5000 0.5000-0.0000 ( 4828 PWs) bands (ev): 0.2153 0.2153 0.2153 0.2153 4.0413 4.0413 4.0413 4.0413 4.5318 4.5318 4.5318 4.5318 5.2100 5.2100 5.2100 5.2100 6.3254 6.3254 6.3254 6.3254 6.7072 6.7072 6.7072 6.7072 6.8004 6.8004 6.8004 6.8004 7.2618 7.2618 7.2618 7.2618 7.7920 7.7920 7.7920 7.7920 8.0494 8.0494 8.0494 8.0494 9.1921 9.1921 9.1921 9.1921 9.3301 9.3301 9.3301 9.3301 13.4074 13.4074 13.4074 13.4074 13.9560 13.9560 13.9560 13.9560 14.3301 14.3301 k = 0.5000 0.5000 0.0111 ( 4824 PWs) bands (ev): 0.2153 0.2153 0.2153 0.2153 4.0416 4.0416 4.0416 4.0416 4.5314 4.5314 4.5314 4.5314 5.2100 5.2100 5.2100 5.2100 6.3256 6.3256 6.3256 6.3256 6.7035 6.7035 6.7035 6.7035 6.8003 6.8003 6.8003 6.8003 7.2668 7.2668 7.2668 7.2668 7.7921 7.7921 7.7921 7.7921 8.0494 8.0494 8.0494 8.0494 9.1921 9.1921 9.1921 9.1921 9.3301 9.3301 9.3301 9.3301 13.3721 13.3721 13.3721 13.3721 13.9935 13.9935 13.9935 13.9935 14.3307 14.3307 k = 0.5000 0.5000 0.0222 ( 4824 PWs) bands (ev): 0.2153 0.2153 0.2153 0.2153 4.0425 4.0425 4.0425 4.0425 4.5300 4.5300 4.5300 4.5300 5.2101 5.2101 5.2101 5.2101 6.3261 6.3261 6.3261 6.3261 6.6927 6.6927 6.6927 6.6927 6.8001 6.8001 6.8001 6.8001 7.2815 7.2815 7.2815 7.2815 7.7923 7.7923 7.7923 7.7923 8.0495 8.0495 8.0495 8.0495 9.1918 9.1918 9.1918 9.1918 9.3300 9.3300 9.3300 9.3300 13.2863 13.2863 13.2863 13.2863 14.0858 14.0858 14.0858 14.0858 14.3324 14.3324 k = 0.5000 0.5000 0.0333 ( 4836 PWs) bands (ev): 0.2154 0.2154 0.2154 0.2154 4.0439 4.0439 4.0439 4.0439 4.5278 4.5278 4.5278 4.5278 5.2103 5.2103 5.2103 5.2103 6.3269 6.3269 6.3269 6.3269 6.6761 6.6761 6.6761 6.6761 6.7997 6.7997 6.7997 6.7997 7.3042 7.3042 7.3042 7.3042 7.7928 7.7928 7.7928 7.7928 8.0495 8.0495 8.0495 8.0495 9.1913 9.1913 9.1913 9.1913 9.3300 9.3300 9.3300 9.3300 13.1781 13.1781 13.1781 13.1781 14.2033 14.2033 14.2033 14.2033 14.3360 14.3360 k = 0.5000 0.5000 0.0444 ( 4836 PWs) bands (ev): 0.2154 0.2154 0.2154 0.2154 4.0459 4.0459 4.0459 4.0459 4.5249 4.5249 4.5249 4.5249 5.2106 5.2106 5.2106 5.2106 6.3281 6.3281 6.3281 6.3281 6.6553 6.6553 6.6553 6.6553 6.7994 6.7994 6.7994 6.7994 7.3334 7.3334 7.3334 7.3334 7.7934 7.7934 7.7934 7.7934 8.0495 8.0495 8.0495 8.0495 9.1907 9.1907 9.1907 9.1907 9.3299 9.3299 9.3299 9.3299 13.0626 13.0626 13.0626 13.0626 14.3154 14.3154 14.3154 14.3154 14.3563 14.3563 k = 0.5000 0.5000 0.0555 ( 4828 PWs) bands (ev): 0.2155 0.2155 0.2155 0.2155 4.0483 4.0483 4.0483 4.0483 4.5212 4.5212 4.5212 4.5212 5.2109 5.2109 5.2109 5.2109 6.3295 6.3295 6.3295 6.3295 6.6318 6.6318 6.6318 6.6318 6.7992 6.7992 6.7992 6.7992 7.3671 7.3671 7.3671 7.3671 7.7941 7.7941 7.7941 7.7941 8.0496 8.0496 8.0496 8.0496 9.1899 9.1899 9.1899 9.1899 9.3299 9.3299 9.3299 9.3299 12.9466 12.9466 12.9466 12.9466 14.3359 14.3359 14.3359 14.3359 14.4714 14.4714 k = 0.5000 0.5000 0.0666 ( 4820 PWs) bands (ev): 0.2156 0.2156 0.2156 0.2156 4.0512 4.0512 4.0512 4.0512 4.5170 4.5170 4.5170 4.5170 5.2112 5.2112 5.2112 5.2112 6.3311 6.3311 6.3311 6.3311 6.6070 6.6070 6.6070 6.6070 6.7989 6.7989 6.7989 6.7989 7.4037 7.4037 7.4037 7.4037 7.7950 7.7950 7.7950 7.7950 8.0497 8.0497 8.0497 8.0497 9.1891 9.1891 9.1891 9.1891 9.3298 9.3298 9.3298 9.3298 12.8334 12.8334 12.8334 12.8334 14.3416 14.3416 14.3416 14.3416 14.5991 14.5991 k = 0.5000 0.5000 0.0777 ( 4820 PWs) bands (ev): 0.2156 0.2156 0.2156 0.2156 4.0543 4.0543 4.0543 4.0543 4.5122 4.5122 4.5122 4.5122 5.2116 5.2116 5.2116 5.2116 6.3328 6.3328 6.3328 6.3328 6.5820 6.5820 6.5820 6.5820 6.7987 6.7987 6.7987 6.7987 7.4417 7.4417 7.4417 7.4417 7.7960 7.7960 7.7960 7.7960 8.0498 8.0498 8.0498 8.0498 9.1881 9.1881 9.1881 9.1881 9.3297 9.3297 9.3297 9.3297 12.7252 12.7252 12.7252 12.7252 14.3467 14.3467 14.3467 14.3467 14.7200 14.7200 k = 0.5000 0.5000 0.0889 ( 4836 PWs) bands (ev): 0.2157 0.2157 0.2157 0.2157 4.0577 4.0577 4.0577 4.0577 4.5072 4.5072 4.5072 4.5072 5.2120 5.2120 5.2120 5.2120 6.3346 6.3346 6.3346 6.3346 6.5577 6.5577 6.5577 6.5577 6.7985 6.7985 6.7985 6.7985 7.4799 7.4799 7.4799 7.4799 7.7970 7.7970 7.7970 7.7970 8.0498 8.0498 8.0498 8.0498 9.1871 9.1871 9.1871 9.1871 9.3296 9.3296 9.3296 9.3296 12.6233 12.6233 12.6233 12.6233 14.3518 14.3518 14.3518 14.3518 14.8265 14.8265 k = 0.5000 0.5000 0.1000 ( 4828 PWs) bands (ev): 0.2158 0.2158 0.2158 0.2158 4.0613 4.0613 4.0613 4.0613 4.5020 4.5020 4.5020 4.5020 5.2125 5.2125 5.2125 5.2125 6.3364 6.3364 6.3364 6.3364 6.5347 6.5347 6.5347 6.5347 6.7984 6.7984 6.7984 6.7984 7.5172 7.5172 7.5172 7.5172 7.7981 7.7981 7.7981 7.7981 8.0499 8.0499 8.0499 8.0499 9.1861 9.1861 9.1861 9.1861 9.3295 9.3295 9.3295 9.3295 12.5291 12.5291 12.5291 12.5291 14.3570 14.3570 14.3570 14.3570 14.8842 14.8842 k = 0.5000 0.5000 0.1111 ( 4816 PWs) bands (ev): 0.2159 0.2159 0.2159 0.2159 4.0648 4.0648 4.0648 4.0648 4.4968 4.4968 4.4968 4.4968 5.2129 5.2129 5.2129 5.2129 6.3382 6.3382 6.3382 6.3382 6.5135 6.5135 6.5135 6.5135 6.7982 6.7982 6.7982 6.7982 7.5526 7.5526 7.5526 7.5526 7.7992 7.7992 7.7992 7.7992 8.0500 8.0500 8.0500 8.0500 9.1851 9.1851 9.1851 9.1851 9.3294 9.3294 9.3294 9.3294 12.4434 12.4434 12.4434 12.4434 14.3621 14.3621 14.3621 14.3621 14.8903 14.8903 k = 0.5000 0.5000 0.1222 ( 4824 PWs) bands (ev): 0.2160 0.2160 0.2160 0.2160 4.0683 4.0683 4.0683 4.0683 4.4919 4.4919 4.4919 4.4919 5.2133 5.2133 5.2133 5.2133 6.3398 6.3398 6.3398 6.3398 6.4946 6.4946 6.4946 6.4946 6.7981 6.7981 6.7981 6.7981 7.5853 7.5853 7.5853 7.5853 7.8003 7.8003 7.8003 7.8003 8.0501 8.0501 8.0501 8.0501 9.1841 9.1841 9.1841 9.1841 9.3293 9.3293 9.3293 9.3293 12.3672 12.3672 12.3672 12.3672 14.3671 14.3671 14.3671 14.3671 14.8916 14.8916 k = 0.5000 0.5000 0.1333 ( 4832 PWs) bands (ev): 0.2161 0.2161 0.2161 0.2161 4.0715 4.0715 4.0715 4.0715 4.4872 4.4872 4.4872 4.4872 5.2137 5.2137 5.2137 5.2137 6.3413 6.3413 6.3413 6.3413 6.4781 6.4781 6.4781 6.4781 6.7980 6.7980 6.7980 6.7980 7.6143 7.6143 7.6143 7.6143 7.8014 7.8014 7.8014 7.8014 8.0501 8.0501 8.0501 8.0501 9.1832 9.1832 9.1832 9.1832 9.3292 9.3292 9.3292 9.3292 12.3012 12.3012 12.3012 12.3012 14.3716 14.3716 14.3716 14.3716 14.8922 14.8922 k = 0.5000 0.5000 0.1444 ( 4832 PWs) bands (ev): 0.2161 0.2161 0.2161 0.2161 4.0743 4.0743 4.0743 4.0743 4.4832 4.4832 4.4832 4.4832 5.2140 5.2140 5.2140 5.2140 6.3425 6.3425 6.3425 6.3425 6.4645 6.4645 6.4645 6.4645 6.7979 6.7979 6.7979 6.7979 7.6390 7.6390 7.6390 7.6390 7.8025 7.8025 7.8025 7.8025 8.0502 8.0502 8.0502 8.0502 9.1824 9.1824 9.1824 9.1824 9.3292 9.3292 9.3292 9.3292 12.2461 12.2461 12.2461 12.2461 14.3756 14.3756 14.3756 14.3756 14.8925 14.8925 k = 0.5000 0.5000 0.1555 ( 4832 PWs) bands (ev): 0.2162 0.2162 0.2162 0.2162 4.0767 4.0767 4.0767 4.0767 4.4798 4.4798 4.4798 4.4798 5.2143 5.2143 5.2143 5.2143 6.3435 6.3435 6.3435 6.3435 6.4537 6.4537 6.4537 6.4537 6.7978 6.7978 6.7978 6.7978 7.6589 7.6589 7.6589 7.6589 7.8034 7.8034 7.8034 7.8034 8.0503 8.0503 8.0503 8.0503 9.1817 9.1817 9.1817 9.1817 9.3291 9.3291 9.3291 9.3291 12.2025 12.2025 12.2025 12.2025 14.3789 14.3789 14.3789 14.3789 14.8927 14.8927 k = 0.5000 0.5000 0.1666 ( 4840 PWs) bands (ev): 0.2162 0.2162 0.2162 0.2162 4.0785 4.0785 4.0785 4.0785 4.4773 4.4773 4.4773 4.4773 5.2145 5.2145 5.2145 5.2145 6.3442 6.3442 6.3442 6.3442 6.4459 6.4459 6.4459 6.4459 6.7977 6.7977 6.7977 6.7977 7.6734 7.6734 7.6734 7.6734 7.8041 7.8041 7.8041 7.8041 8.0503 8.0503 8.0503 8.0503 9.1813 9.1813 9.1813 9.1813 9.3291 9.3291 9.3291 9.3291 12.1711 12.1711 12.1711 12.1711 14.3813 14.3813 14.3813 14.3813 14.8928 14.8928 k = 0.5000 0.5000 0.1777 ( 4856 PWs) bands (ev): 0.2162 0.2162 0.2162 0.2162 4.0796 4.0796 4.0796 4.0796 4.4758 4.4758 4.4758 4.4758 5.2146 5.2146 5.2146 5.2146 6.3446 6.3446 6.3446 6.3446 6.4412 6.4412 6.4412 6.4412 6.7977 6.7977 6.7977 6.7977 7.6822 7.6822 7.6822 7.6822 7.8046 7.8046 7.8046 7.8046 8.0502 8.0502 8.0502 8.0502 9.1809 9.1809 9.1809 9.1809 9.3291 9.3291 9.3291 9.3291 12.1520 12.1520 12.1520 12.1520 14.3829 14.3829 14.3829 14.3829 14.8929 14.8929 k = 0.5000 0.5000 0.1888 ( 4856 PWs) bands (ev): 0.2162 0.2162 0.2162 0.2162 4.0799 4.0799 4.0799 4.0799 4.4753 4.4753 4.4753 4.4753 5.2146 5.2146 5.2146 5.2146 6.3447 6.3447 6.3447 6.3447 6.4397 6.4397 6.4397 6.4397 6.7977 6.7977 6.7977 6.7977 7.6851 7.6851 7.6851 7.6851 7.8048 7.8048 7.8048 7.8048 8.0502 8.0502 8.0502 8.0502 9.1808 9.1808 9.1808 9.1808 9.3291 9.3291 9.3291 9.3291 12.1456 12.1456 12.1456 12.1456 14.3834 14.3834 14.3834 14.3834 14.8929 14.8929 Writing output data file ZrSiCuP.save init_run : 0.26s CPU 0.58s WALL ( 1 calls) electrons : 357.17s CPU 362.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 357.16s CPU 362.57s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 366 calls) cegterg : 333.90s CPU 338.11s WALL ( 1070 calls) Called by sum_band: Called by *egterg: h_psi : 151.50s CPU 154.54s WALL ( 19054 calls) s_psi : 18.41s CPU 18.17s WALL ( 19054 calls) g_psi : 0.56s CPU 0.52s WALL ( 17618 calls) cdiaghg : 139.19s CPU 140.94s WALL ( 17984 calls) cegterg:over : 14.80s CPU 14.93s WALL ( 17618 calls) cegterg:upda : 14.78s CPU 14.81s WALL ( 17618 calls) cegterg:last : 6.21s CPU 6.24s WALL ( 2181 calls) cdiaghg:chol : 8.09s CPU 7.99s WALL ( 17984 calls) cdiaghg:inve : 5.33s CPU 5.48s WALL ( 17984 calls) cdiaghg:para : 8.51s CPU 8.52s WALL ( 35968 calls) Called by h_psi: h_psi:vloc : 110.59s CPU 113.06s WALL ( 19054 calls) h_psi:vnl : 40.40s CPU 40.91s WALL ( 19054 calls) add_vuspsi : 22.26s CPU 22.60s WALL ( 19054 calls) General routines calbec : 18.08s CPU 18.25s WALL ( 19054 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 103.33s CPU 105.46s WALL ( 1562168 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.37s WALL ( 732 calls) Parallel routines fft_scatter : 45.65s CPU 46.86s WALL ( 1562191 calls) PWSCF : 6m18.42s CPU 6m43.48s WALL This run was terminated on: 18: 3:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=