Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:44:42 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: ./ZrCuGe2.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 27 22 6 1509 1160 184 Max 28 23 7 1517 1179 197 Sum 973 805 241 54433 42001 6851 bravais-lattice index = 14 lattice parameter (alat) = 7.1564 a.u. unit-cell volume = 882.6366 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 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)= 7.156392 celldm(2)= 1.000000 celldm(3)= 2.408239 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 2.408239 ) 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 0.415241 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Zr 4.00 91.22400 Zr( 1.00) Cu 11.00 63.54600 Cu( 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= 349 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0028653 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0028653 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0028653 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0028653 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0028653 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0028653 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0028653 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0028653 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0028653 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0028653 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0028653 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0028653 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0028653 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0028653 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0028653 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0028653 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0028653 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0028653 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0028653 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028653 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0028653 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0028653 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0028653 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0028653 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0028653 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0028653 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0028653 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0028653 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0028653 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0028653 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0028653 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0028653 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0028653 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0028653 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0028653 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0028653 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0028653 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0028653 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0028653 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0028653 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0028653 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0028653 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0028653 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0028653 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0028653 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0028653 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0028653 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0028653 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0028653 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0028653 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0028653 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0028653 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0028653 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0028653 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0028653 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0028653 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0028653 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0028653 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0028653 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0028653 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028653 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0028653 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0028653 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0028653 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0028653 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0028653 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0028653 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028653 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0028653 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0028653 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0028653 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0028653 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0028653 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0028653 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0028653 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0028653 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0028653 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0028653 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0028653 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0028653 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0028653 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0028653 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0028653 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0028653 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0028653 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0028653 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0028653 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0028653 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0028653 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0028653 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0028653 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0028653 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0028653 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0028653 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0028653 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0028653 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0028653 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0028653 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0028653 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0028653 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0028653 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0028653 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0028653 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0028653 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0028653 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0028653 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0028653 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0028653 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0028653 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0028653 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0028653 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0028653 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0028653 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0028653 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0028653 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0028653 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0028653 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0028653 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0028653 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0028653 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0028653 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0028653 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0028653 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0028653 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0028653 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0028653 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0028653 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0028653 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0028653 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0028653 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0028653 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0028653 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0028653 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0028653 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0028653 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0028653 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0028653 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0028653 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.0115345), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.0230690), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.0346034), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.0461379), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.0576724), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.0692069), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.0807413), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.0922758), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.1038103), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.1153448), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.1268793), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.1384137), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.1499482), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.1614827), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.1730172), wk = 0.0028653 k( 163) = ( 0.0000000 0.0000000 0.1845517), wk = 0.0028653 k( 164) = ( 0.0000000 0.0000000 0.1960861), wk = 0.0028653 k( 165) = ( 0.0000000 0.0000000 0.2076206), wk = 0.0028653 k( 166) = ( 0.0000000 0.0000000 0.2076206), wk = 0.0028653 k( 167) = ( 0.0000000 0.0119048 0.2076206), wk = 0.0028653 k( 168) = ( 0.0000000 0.0238095 0.2076206), wk = 0.0028653 k( 169) = ( 0.0000000 0.0357143 0.2076206), wk = 0.0028653 k( 170) = ( 0.0000000 0.0476191 0.2076206), wk = 0.0028653 k( 171) = ( 0.0000000 0.0595238 0.2076206), wk = 0.0028653 k( 172) = ( 0.0000000 0.0714286 0.2076206), wk = 0.0028653 k( 173) = ( 0.0000000 0.0833333 0.2076206), wk = 0.0028653 k( 174) = ( 0.0000000 0.0952381 0.2076206), wk = 0.0028653 k( 175) = ( 0.0000000 0.1071429 0.2076206), wk = 0.0028653 k( 176) = ( 0.0000000 0.1190476 0.2076206), wk = 0.0028653 k( 177) = ( 0.0000000 0.1309524 0.2076206), wk = 0.0028653 k( 178) = ( 0.0000000 0.1428571 0.2076206), wk = 0.0028653 k( 179) = ( 0.0000000 0.1547619 0.2076206), wk = 0.0028653 k( 180) = ( 0.0000000 0.1666667 0.2076206), wk = 0.0028653 k( 181) = ( 0.0000000 0.1785714 0.2076206), wk = 0.0028653 k( 182) = ( 0.0000000 0.1904762 0.2076206), wk = 0.0028653 k( 183) = ( 0.0000000 0.2023810 0.2076206), wk = 0.0028653 k( 184) = ( 0.0000000 0.2142857 0.2076206), wk = 0.0028653 k( 185) = ( 0.0000000 0.2261905 0.2076206), wk = 0.0028653 k( 186) = ( 0.0000000 0.2380952 0.2076206), wk = 0.0028653 k( 187) = ( 0.0000000 0.2500000 0.2076206), wk = 0.0028653 k( 188) = ( 0.0000000 0.2619048 0.2076206), wk = 0.0028653 k( 189) = ( 0.0000000 0.2738095 0.2076206), wk = 0.0028653 k( 190) = ( 0.0000000 0.2857143 0.2076206), wk = 0.0028653 k( 191) = ( 0.0000000 0.2976190 0.2076206), wk = 0.0028653 k( 192) = ( 0.0000000 0.3095238 0.2076206), wk = 0.0028653 k( 193) = ( 0.0000000 0.3214286 0.2076206), wk = 0.0028653 k( 194) = ( 0.0000000 0.3333333 0.2076206), wk = 0.0028653 k( 195) = ( 0.0000000 0.3452381 0.2076206), wk = 0.0028653 k( 196) = ( 0.0000000 0.3571429 0.2076206), wk = 0.0028653 k( 197) = ( 0.0000000 0.3690476 0.2076206), wk = 0.0028653 k( 198) = ( 0.0000000 0.3809524 0.2076206), wk = 0.0028653 k( 199) = ( 0.0000000 0.3928571 0.2076206), wk = 0.0028653 k( 200) = ( 0.0000000 0.4047619 0.2076206), wk = 0.0028653 k( 201) = ( 0.0000000 0.4166667 0.2076206), wk = 0.0028653 k( 202) = ( 0.0000000 0.4285714 0.2076206), wk = 0.0028653 k( 203) = ( 0.0000000 0.4404762 0.2076206), wk = 0.0028653 k( 204) = ( 0.0000000 0.4523810 0.2076206), wk = 0.0028653 k( 205) = ( 0.0000000 0.4642857 0.2076206), wk = 0.0028653 k( 206) = ( 0.0000000 0.4761905 0.2076206), wk = 0.0028653 k( 207) = ( 0.0000000 0.4880952 0.2076206), wk = 0.0028653 k( 208) = ( 0.0000000 0.5000000 0.2076206), wk = 0.0028653 k( 209) = ( 0.0000000 0.5000000 0.2076206), wk = 0.0028653 k( 210) = ( 0.0119048 0.5000000 0.2076206), wk = 0.0028653 k( 211) = ( 0.0238095 0.5000000 0.2076206), wk = 0.0028653 k( 212) = ( 0.0357143 0.5000000 0.2076206), wk = 0.0028653 k( 213) = ( 0.0476191 0.5000000 0.2076206), wk = 0.0028653 k( 214) = ( 0.0595238 0.5000000 0.2076206), wk = 0.0028653 k( 215) = ( 0.0714286 0.5000000 0.2076206), wk = 0.0028653 k( 216) = ( 0.0833333 0.5000000 0.2076206), wk = 0.0028653 k( 217) = ( 0.0952381 0.5000000 0.2076206), wk = 0.0028653 k( 218) = ( 0.1071429 0.5000000 0.2076206), wk = 0.0028653 k( 219) = ( 0.1190476 0.5000000 0.2076206), wk = 0.0028653 k( 220) = ( 0.1309524 0.5000000 0.2076206), wk = 0.0028653 k( 221) = ( 0.1428571 0.5000000 0.2076206), wk = 0.0028653 k( 222) = ( 0.1547619 0.5000000 0.2076206), wk = 0.0028653 k( 223) = ( 0.1666667 0.5000000 0.2076206), wk = 0.0028653 k( 224) = ( 0.1785714 0.5000000 0.2076206), wk = 0.0028653 k( 225) = ( 0.1904762 0.5000000 0.2076206), wk = 0.0028653 k( 226) = ( 0.2023810 0.5000000 0.2076206), wk = 0.0028653 k( 227) = ( 0.2142857 0.5000000 0.2076206), wk = 0.0028653 k( 228) = ( 0.2261905 0.5000000 0.2076206), wk = 0.0028653 k( 229) = ( 0.2380952 0.5000000 0.2076206), wk = 0.0028653 k( 230) = ( 0.2500000 0.5000000 0.2076206), wk = 0.0028653 k( 231) = ( 0.2619048 0.5000000 0.2076206), wk = 0.0028653 k( 232) = ( 0.2738095 0.5000000 0.2076206), wk = 0.0028653 k( 233) = ( 0.2857143 0.5000000 0.2076206), wk = 0.0028653 k( 234) = ( 0.2976190 0.5000000 0.2076206), wk = 0.0028653 k( 235) = ( 0.3095238 0.5000000 0.2076206), wk = 0.0028653 k( 236) = ( 0.3214286 0.5000000 0.2076206), wk = 0.0028653 k( 237) = ( 0.3333333 0.5000000 0.2076206), wk = 0.0028653 k( 238) = ( 0.3452381 0.5000000 0.2076206), wk = 0.0028653 k( 239) = ( 0.3571429 0.5000000 0.2076206), wk = 0.0028653 k( 240) = ( 0.3690476 0.5000000 0.2076206), wk = 0.0028653 k( 241) = ( 0.3809524 0.5000000 0.2076206), wk = 0.0028653 k( 242) = ( 0.3928571 0.5000000 0.2076206), wk = 0.0028653 k( 243) = ( 0.4047619 0.5000000 0.2076206), wk = 0.0028653 k( 244) = ( 0.4166667 0.5000000 0.2076206), wk = 0.0028653 k( 245) = ( 0.4285714 0.5000000 0.2076206), wk = 0.0028653 k( 246) = ( 0.4404762 0.5000000 0.2076206), wk = 0.0028653 k( 247) = ( 0.4523810 0.5000000 0.2076206), wk = 0.0028653 k( 248) = ( 0.4642857 0.5000000 0.2076206), wk = 0.0028653 k( 249) = ( 0.4761905 0.5000000 0.2076206), wk = 0.0028653 k( 250) = ( 0.4880952 0.5000000 0.2076206), wk = 0.0028653 k( 251) = ( 0.5000000 0.5000000 0.2076206), wk = 0.0028653 k( 252) = ( 0.5000000 0.5000000 0.2076206), wk = 0.0028653 k( 253) = ( 0.4915254 0.4915254 0.2076206), wk = 0.0028653 k( 254) = ( 0.4830508 0.4830508 0.2076206), wk = 0.0028653 k( 255) = ( 0.4745763 0.4745763 0.2076206), wk = 0.0028653 k( 256) = ( 0.4661017 0.4661017 0.2076206), wk = 0.0028653 k( 257) = ( 0.4576271 0.4576271 0.2076206), wk = 0.0028653 k( 258) = ( 0.4491525 0.4491525 0.2076206), wk = 0.0028653 k( 259) = ( 0.4406780 0.4406780 0.2076206), wk = 0.0028653 k( 260) = ( 0.4322034 0.4322034 0.2076206), wk = 0.0028653 k( 261) = ( 0.4237288 0.4237288 0.2076206), wk = 0.0028653 k( 262) = ( 0.4152542 0.4152542 0.2076206), wk = 0.0028653 k( 263) = ( 0.4067797 0.4067797 0.2076206), wk = 0.0028653 k( 264) = ( 0.3983051 0.3983051 0.2076206), wk = 0.0028653 k( 265) = ( 0.3898305 0.3898305 0.2076206), wk = 0.0028653 k( 266) = ( 0.3813559 0.3813559 0.2076206), wk = 0.0028653 k( 267) = ( 0.3728814 0.3728814 0.2076206), wk = 0.0028653 k( 268) = ( 0.3644068 0.3644068 0.2076206), wk = 0.0028653 k( 269) = ( 0.3559322 0.3559322 0.2076206), wk = 0.0028653 k( 270) = ( 0.3474576 0.3474576 0.2076206), wk = 0.0028653 k( 271) = ( 0.3389831 0.3389830 0.2076206), wk = 0.0028653 k( 272) = ( 0.3305085 0.3305085 0.2076206), wk = 0.0028653 k( 273) = ( 0.3220339 0.3220339 0.2076206), wk = 0.0028653 k( 274) = ( 0.3135593 0.3135593 0.2076206), wk = 0.0028653 k( 275) = ( 0.3050848 0.3050847 0.2076206), wk = 0.0028653 k( 276) = ( 0.2966102 0.2966102 0.2076206), wk = 0.0028653 k( 277) = ( 0.2881356 0.2881356 0.2076206), wk = 0.0028653 k( 278) = ( 0.2796610 0.2796610 0.2076206), wk = 0.0028653 k( 279) = ( 0.2711864 0.2711864 0.2076206), wk = 0.0028653 k( 280) = ( 0.2627119 0.2627119 0.2076206), wk = 0.0028653 k( 281) = ( 0.2542373 0.2542373 0.2076206), wk = 0.0028653 k( 282) = ( 0.2457627 0.2457627 0.2076206), wk = 0.0028653 k( 283) = ( 0.2372881 0.2372881 0.2076206), wk = 0.0028653 k( 284) = ( 0.2288136 0.2288136 0.2076206), wk = 0.0028653 k( 285) = ( 0.2203390 0.2203390 0.2076206), wk = 0.0028653 k( 286) = ( 0.2118644 0.2118644 0.2076206), wk = 0.0028653 k( 287) = ( 0.2033898 0.2033898 0.2076206), wk = 0.0028653 k( 288) = ( 0.1949153 0.1949152 0.2076206), wk = 0.0028653 k( 289) = ( 0.1864407 0.1864407 0.2076206), wk = 0.0028653 k( 290) = ( 0.1779661 0.1779661 0.2076206), wk = 0.0028653 k( 291) = ( 0.1694915 0.1694915 0.2076206), wk = 0.0028653 k( 292) = ( 0.1610169 0.1610169 0.2076206), wk = 0.0028653 k( 293) = ( 0.1525424 0.1525424 0.2076206), wk = 0.0028653 k( 294) = ( 0.1440678 0.1440678 0.2076206), wk = 0.0028653 k( 295) = ( 0.1355932 0.1355932 0.2076206), wk = 0.0028653 k( 296) = ( 0.1271186 0.1271186 0.2076206), wk = 0.0028653 k( 297) = ( 0.1186441 0.1186441 0.2076206), wk = 0.0028653 k( 298) = ( 0.1101695 0.1101695 0.2076206), wk = 0.0028653 k( 299) = ( 0.1016949 0.1016949 0.2076206), wk = 0.0028653 k( 300) = ( 0.0932203 0.0932203 0.2076206), wk = 0.0028653 k( 301) = ( 0.0847458 0.0847458 0.2076206), wk = 0.0028653 k( 302) = ( 0.0762712 0.0762712 0.2076206), wk = 0.0028653 k( 303) = ( 0.0677966 0.0677966 0.2076206), wk = 0.0028653 k( 304) = ( 0.0593220 0.0593220 0.2076206), wk = 0.0028653 k( 305) = ( 0.0508475 0.0508475 0.2076206), wk = 0.0028653 k( 306) = ( 0.0423729 0.0423729 0.2076206), wk = 0.0028653 k( 307) = ( 0.0338983 0.0338983 0.2076206), wk = 0.0028653 k( 308) = ( 0.0254237 0.0254237 0.2076206), wk = 0.0028653 k( 309) = ( 0.0169491 0.0169491 0.2076206), wk = 0.0028653 k( 310) = ( 0.0084746 0.0084746 0.2076206), wk = 0.0028653 k( 311) = ( 0.0000000 0.0000000 0.2076206), wk = 0.0028653 k( 312) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 313) = ( 0.0000000 0.5000000 0.0115345), wk = 0.0028653 k( 314) = ( 0.0000000 0.5000000 0.0230690), wk = 0.0028653 k( 315) = ( 0.0000000 0.5000000 0.0346034), wk = 0.0028653 k( 316) = ( 0.0000000 0.5000000 0.0461379), wk = 0.0028653 k( 317) = ( 0.0000000 0.5000000 0.0576724), wk = 0.0028653 k( 318) = ( 0.0000000 0.5000000 0.0692069), wk = 0.0028653 k( 319) = ( 0.0000000 0.5000000 0.0807413), wk = 0.0028653 k( 320) = ( 0.0000000 0.5000000 0.0922758), wk = 0.0028653 k( 321) = ( 0.0000000 0.5000000 0.1038103), wk = 0.0028653 k( 322) = ( 0.0000000 0.5000000 0.1153448), wk = 0.0028653 k( 323) = ( 0.0000000 0.5000000 0.1268793), wk = 0.0028653 k( 324) = ( 0.0000000 0.5000000 0.1384137), wk = 0.0028653 k( 325) = ( 0.0000000 0.5000000 0.1499482), wk = 0.0028653 k( 326) = ( 0.0000000 0.5000000 0.1614827), wk = 0.0028653 k( 327) = ( 0.0000000 0.5000000 0.1730172), wk = 0.0028653 k( 328) = ( 0.0000000 0.5000000 0.1845517), wk = 0.0028653 k( 329) = ( 0.0000000 0.5000000 0.1960861), wk = 0.0028653 k( 330) = ( 0.0000000 0.5000000 0.2076206), wk = 0.0028653 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 332) = ( 0.5000000 0.5000000 0.0115345), wk = 0.0028653 k( 333) = ( 0.5000000 0.5000000 0.0230690), wk = 0.0028653 k( 334) = ( 0.5000000 0.5000000 0.0346034), wk = 0.0028653 k( 335) = ( 0.5000000 0.5000000 0.0461379), wk = 0.0028653 k( 336) = ( 0.5000000 0.5000000 0.0576724), wk = 0.0028653 k( 337) = ( 0.5000000 0.5000000 0.0692069), wk = 0.0028653 k( 338) = ( 0.5000000 0.5000000 0.0807413), wk = 0.0028653 k( 339) = ( 0.5000000 0.5000000 0.0922758), wk = 0.0028653 k( 340) = ( 0.5000000 0.5000000 0.1038103), wk = 0.0028653 k( 341) = ( 0.5000000 0.5000000 0.1153448), wk = 0.0028653 k( 342) = ( 0.5000000 0.5000000 0.1268793), wk = 0.0028653 k( 343) = ( 0.5000000 0.5000000 0.1384137), wk = 0.0028653 k( 344) = ( 0.5000000 0.5000000 0.1499482), wk = 0.0028653 k( 345) = ( 0.5000000 0.5000000 0.1614827), wk = 0.0028653 k( 346) = ( 0.5000000 0.5000000 0.1730172), wk = 0.0028653 k( 347) = ( 0.5000000 0.5000000 0.1845517), wk = 0.0028653 k( 348) = ( 0.5000000 0.5000000 0.1960861), wk = 0.0028653 k( 349) = ( 0.5000000 0.5000000 0.2076206), wk = 0.0028653 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0028653 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0028653 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0028653 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0028653 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0028653 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0028653 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0028653 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0028653 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0028653 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0028653 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0028653 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0028653 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0028653 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0028653 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0028653 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0028653 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0028653 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0028653 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0028653 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028653 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0028653 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0028653 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0028653 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0028653 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0028653 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0028653 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0028653 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0028653 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0028653 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0028653 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0028653 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0028653 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0028653 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0028653 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0028653 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0028653 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0028653 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0028653 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0028653 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0028653 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0028653 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0028653 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0028653 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0028653 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0028653 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0028653 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0028653 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0028653 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0028653 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0028653 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0028653 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0028653 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0028653 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028653 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0028653 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0028653 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0028653 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0028653 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0028653 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0028653 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028653 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0028653 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0028653 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0028653 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0028653 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0028653 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0028653 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028653 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0028653 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0028653 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0028653 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0028653 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0028653 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0028653 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0028653 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0028653 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0028653 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0028653 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0028653 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0028653 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0028653 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0028653 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0028653 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0028653 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0028653 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0028653 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0028653 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0028653 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0028653 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0028653 k( 97) = ( 0.4152542 0.4152542 0.0000000), wk = 0.0028653 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0028653 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0028653 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0028653 k( 101) = ( 0.3813559 0.3813559 0.0000000), wk = 0.0028653 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0028653 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0028653 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0028653 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0028653 k( 106) = ( 0.3389831 0.3389831 -0.0000000), wk = 0.0028653 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0028653 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0028653 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0028653 k( 110) = ( 0.3050848 0.3050848 -0.0000000), wk = 0.0028653 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0028653 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0028653 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0028653 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0028653 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0028653 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0028653 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0028653 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0028653 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0028653 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0028653 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0028653 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0028653 k( 123) = ( 0.1949153 0.1949153 -0.0000000), wk = 0.0028653 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0028653 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0028653 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0028653 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0028653 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0028653 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0028653 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0028653 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0028653 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0028653 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0028653 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0028653 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0028653 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0028653 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0028653 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0028653 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0028653 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0028653 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0028653 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0028653 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0028653 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0028653 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028653 k( 163) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028653 k( 164) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0028653 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 167) = ( 0.0000000 0.0119048 0.5000000), wk = 0.0028653 k( 168) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0028653 k( 169) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0028653 k( 170) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0028653 k( 171) = ( 0.0000000 0.0595238 0.5000000), wk = 0.0028653 k( 172) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0028653 k( 173) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0028653 k( 174) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0028653 k( 175) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0028653 k( 176) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0028653 k( 177) = ( 0.0000000 0.1309524 0.5000000), wk = 0.0028653 k( 178) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0028653 k( 179) = ( 0.0000000 0.1547619 0.5000000), wk = 0.0028653 k( 180) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0028653 k( 181) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0028653 k( 182) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0028653 k( 183) = ( 0.0000000 0.2023810 0.5000000), wk = 0.0028653 k( 184) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0028653 k( 185) = ( 0.0000000 0.2261905 0.5000000), wk = 0.0028653 k( 186) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0028653 k( 187) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028653 k( 188) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0028653 k( 189) = ( 0.0000000 0.2738095 0.5000000), wk = 0.0028653 k( 190) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0028653 k( 191) = ( 0.0000000 0.2976190 0.5000000), wk = 0.0028653 k( 192) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0028653 k( 193) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0028653 k( 194) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0028653 k( 195) = ( 0.0000000 0.3452381 0.5000000), wk = 0.0028653 k( 196) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0028653 k( 197) = ( 0.0000000 0.3690476 0.5000000), wk = 0.0028653 k( 198) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0028653 k( 199) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0028653 k( 200) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0028653 k( 201) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0028653 k( 202) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0028653 k( 203) = ( 0.0000000 0.4404762 0.5000000), wk = 0.0028653 k( 204) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0028653 k( 205) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0028653 k( 206) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0028653 k( 207) = ( 0.0000000 0.4880952 0.5000000), wk = 0.0028653 k( 208) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028653 k( 209) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028653 k( 210) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0028653 k( 211) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0028653 k( 212) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0028653 k( 213) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0028653 k( 214) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0028653 k( 215) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0028653 k( 216) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0028653 k( 217) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0028653 k( 218) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0028653 k( 219) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0028653 k( 220) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0028653 k( 221) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0028653 k( 222) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0028653 k( 223) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0028653 k( 224) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0028653 k( 225) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0028653 k( 226) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0028653 k( 227) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0028653 k( 228) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0028653 k( 229) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0028653 k( 230) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028653 k( 231) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0028653 k( 232) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0028653 k( 233) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0028653 k( 234) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0028653 k( 235) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0028653 k( 236) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0028653 k( 237) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0028653 k( 238) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0028653 k( 239) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0028653 k( 240) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0028653 k( 241) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0028653 k( 242) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0028653 k( 243) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0028653 k( 244) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0028653 k( 245) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0028653 k( 246) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0028653 k( 247) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0028653 k( 248) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0028653 k( 249) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0028653 k( 250) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0028653 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028653 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028653 k( 253) = ( 0.4915254 0.4915254 0.5000000), wk = 0.0028653 k( 254) = ( 0.4830508 0.4830508 0.5000000), wk = 0.0028653 k( 255) = ( 0.4745763 0.4745763 0.5000000), wk = 0.0028653 k( 256) = ( 0.4661017 0.4661017 0.5000000), wk = 0.0028653 k( 257) = ( 0.4576271 0.4576271 0.5000000), wk = 0.0028653 k( 258) = ( 0.4491525 0.4491525 0.5000000), wk = 0.0028653 k( 259) = ( 0.4406780 0.4406780 0.5000000), wk = 0.0028653 k( 260) = ( 0.4322034 0.4322034 0.5000000), wk = 0.0028653 k( 261) = ( 0.4237288 0.4237288 0.5000000), wk = 0.0028653 k( 262) = ( 0.4152542 0.4152542 0.5000000), wk = 0.0028653 k( 263) = ( 0.4067797 0.4067797 0.5000000), wk = 0.0028653 k( 264) = ( 0.3983051 0.3983051 0.5000000), wk = 0.0028653 k( 265) = ( 0.3898305 0.3898305 0.5000000), wk = 0.0028653 k( 266) = ( 0.3813559 0.3813559 0.5000000), wk = 0.0028653 k( 267) = ( 0.3728814 0.3728814 0.5000000), wk = 0.0028653 k( 268) = ( 0.3644068 0.3644068 0.5000000), wk = 0.0028653 k( 269) = ( 0.3559322 0.3559322 0.5000000), wk = 0.0028653 k( 270) = ( 0.3474576 0.3474576 0.5000000), wk = 0.0028653 k( 271) = ( 0.3389831 0.3389831 0.5000000), wk = 0.0028653 k( 272) = ( 0.3305085 0.3305085 0.5000000), wk = 0.0028653 k( 273) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0028653 k( 274) = ( 0.3135593 0.3135593 0.5000000), wk = 0.0028653 k( 275) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0028653 k( 276) = ( 0.2966102 0.2966102 0.5000000), wk = 0.0028653 k( 277) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0028653 k( 278) = ( 0.2796610 0.2796610 0.5000000), wk = 0.0028653 k( 279) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0028653 k( 280) = ( 0.2627119 0.2627119 0.5000000), wk = 0.0028653 k( 281) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0028653 k( 282) = ( 0.2457627 0.2457627 0.5000000), wk = 0.0028653 k( 283) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0028653 k( 284) = ( 0.2288136 0.2288136 0.5000000), wk = 0.0028653 k( 285) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0028653 k( 286) = ( 0.2118644 0.2118644 0.5000000), wk = 0.0028653 k( 287) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0028653 k( 288) = ( 0.1949153 0.1949153 0.5000000), wk = 0.0028653 k( 289) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0028653 k( 290) = ( 0.1779661 0.1779661 0.5000000), wk = 0.0028653 k( 291) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0028653 k( 292) = ( 0.1610169 0.1610169 0.5000000), wk = 0.0028653 k( 293) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0028653 k( 294) = ( 0.1440678 0.1440678 0.5000000), wk = 0.0028653 k( 295) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0028653 k( 296) = ( 0.1271186 0.1271186 0.5000000), wk = 0.0028653 k( 297) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0028653 k( 298) = ( 0.1101695 0.1101695 0.5000000), wk = 0.0028653 k( 299) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0028653 k( 300) = ( 0.0932203 0.0932203 0.5000000), wk = 0.0028653 k( 301) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0028653 k( 302) = ( 0.0762712 0.0762712 0.5000000), wk = 0.0028653 k( 303) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0028653 k( 304) = ( 0.0593220 0.0593220 0.5000000), wk = 0.0028653 k( 305) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0028653 k( 306) = ( 0.0423729 0.0423729 0.5000000), wk = 0.0028653 k( 307) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0028653 k( 308) = ( 0.0254237 0.0254237 0.5000000), wk = 0.0028653 k( 309) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0028653 k( 310) = ( 0.0084746 0.0084746 0.5000000), wk = 0.0028653 k( 311) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 312) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028653 k( 313) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0028653 k( 314) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0028653 k( 315) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028653 k( 316) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0028653 k( 317) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0028653 k( 318) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028653 k( 319) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0028653 k( 320) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0028653 k( 321) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028653 k( 322) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0028653 k( 323) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0028653 k( 324) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028653 k( 325) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0028653 k( 326) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0028653 k( 327) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028653 k( 328) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0028653 k( 329) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0028653 k( 330) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028653 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028653 k( 332) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0028653 k( 333) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0028653 k( 334) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0028653 k( 335) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0028653 k( 336) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0028653 k( 337) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028653 k( 338) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0028653 k( 339) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0028653 k( 340) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028653 k( 341) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0028653 k( 342) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0028653 k( 343) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028653 k( 344) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0028653 k( 345) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0028653 k( 346) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0028653 k( 347) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0028653 k( 348) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0028653 k( 349) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028653 Dense grid: 54433 G-vectors FFT dimensions: ( 36, 36, 90) Smooth grid: 42001 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 342, 56) NL pseudopotentials 0.41 Mb ( 171, 156) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1517) G-vector shells 0.01 Mb ( 772) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.17 Mb ( 342, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.27 Mb ( 156, 2, 56) The potential is recalculated from file : ./ZrCuGe2.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 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 8.1 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.8 secs Computing kpt #: 16 total cpu time spent up to now is 11.3 secs Computing kpt #: 17 total cpu time spent up to now is 11.8 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 12.9 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.2 secs Computing kpt #: 24 total cpu time spent up to now is 15.8 secs Computing kpt #: 25 total cpu time spent up to now is 16.3 secs Computing kpt #: 26 total cpu time spent up to now is 17.0 secs Computing kpt #: 27 total cpu time spent up to now is 17.6 secs Computing kpt #: 28 total cpu time spent up to now is 18.2 secs Computing kpt #: 29 total cpu time spent up to now is 18.9 secs Computing kpt #: 30 total cpu time spent up to now is 20.1 secs Computing kpt #: 31 total cpu time spent up to now is 21.1 secs Computing kpt #: 32 total cpu time spent up to now is 21.6 secs Computing kpt #: 33 total cpu time spent up to now is 22.2 secs Computing kpt #: 34 total cpu time spent up to now is 22.8 secs Computing kpt #: 35 total cpu time spent up to now is 23.3 secs Computing kpt #: 36 total cpu time spent up to now is 23.9 secs Computing kpt #: 37 total cpu time spent up to now is 24.5 secs Computing kpt #: 38 total cpu time spent up to now is 25.1 secs Computing kpt #: 39 total cpu time spent up to now is 25.7 secs Computing kpt #: 40 total cpu time spent up to now is 26.3 secs Computing kpt #: 41 total cpu time spent up to now is 27.0 secs Computing kpt #: 42 total cpu time spent up to now is 27.5 secs Computing kpt #: 43 total cpu time spent up to now is 28.2 secs Computing kpt #: 44 total cpu time spent up to now is 28.9 secs Computing kpt #: 45 total cpu time spent up to now is 29.5 secs Computing kpt #: 46 total cpu time spent up to now is 30.2 secs Computing kpt #: 47 total cpu time spent up to now is 30.9 secs Computing kpt #: 48 total cpu time spent up to now is 31.6 secs Computing kpt #: 49 total cpu time spent up to now is 32.4 secs Computing kpt #: 50 total cpu time spent up to now is 33.1 secs Computing kpt #: 51 total cpu time spent up to now is 33.9 secs Computing kpt #: 52 total cpu time spent up to now is 34.8 secs Computing kpt #: 53 total cpu time spent up to now is 35.7 secs Computing kpt #: 54 total cpu time spent up to now is 36.6 secs Computing kpt #: 55 total cpu time spent up to now is 37.9 secs Computing kpt #: 56 total cpu time spent up to now is 39.3 secs Computing kpt #: 57 total cpu time spent up to now is 40.4 secs Computing kpt #: 58 total cpu time spent up to now is 41.4 secs Computing kpt #: 59 total cpu time spent up to now is 42.3 secs Computing kpt #: 60 total cpu time spent up to now is 43.3 secs Computing kpt #: 61 total cpu time spent up to now is 44.2 secs Computing kpt #: 62 total cpu time spent up to now is 45.1 secs Computing kpt #: 63 total cpu time spent up to now is 46.1 secs Computing kpt #: 64 total cpu time spent up to now is 47.0 secs Computing kpt #: 65 total cpu time spent up to now is 47.9 secs Computing kpt #: 66 total cpu time spent up to now is 48.9 secs Computing kpt #: 67 total cpu time spent up to now is 49.9 secs Computing kpt #: 68 total cpu time spent up to now is 50.9 secs Computing kpt #: 69 total cpu time spent up to now is 51.8 secs Computing kpt #: 70 total cpu time spent up to now is 52.8 secs Computing kpt #: 71 total cpu time spent up to now is 53.7 secs Computing kpt #: 72 total cpu time spent up to now is 54.6 secs Computing kpt #: 73 total cpu time spent up to now is 55.4 secs Computing kpt #: 74 total cpu time spent up to now is 56.3 secs Computing kpt #: 75 total cpu time spent up to now is 57.1 secs Computing kpt #: 76 total cpu time spent up to now is 58.0 secs Computing kpt #: 77 total cpu time spent up to now is 58.8 secs Computing kpt #: 78 total cpu time spent up to now is 59.6 secs Computing kpt #: 79 total cpu time spent up to now is 60.4 secs Computing kpt #: 80 total cpu time spent up to now is 61.3 secs Computing kpt #: 81 total cpu time spent up to now is 62.2 secs Computing kpt #: 82 total cpu time spent up to now is 63.0 secs Computing kpt #: 83 total cpu time spent up to now is 63.9 secs Computing kpt #: 84 total cpu time spent up to now is 64.8 secs Computing kpt #: 85 total cpu time spent up to now is 65.8 secs Computing kpt #: 86 total cpu time spent up to now is 66.7 secs Computing kpt #: 87 total cpu time spent up to now is 67.7 secs Computing kpt #: 88 total cpu time spent up to now is 68.7 secs Computing kpt #: 89 total cpu time spent up to now is 69.7 secs Computing kpt #: 90 total cpu time spent up to now is 70.7 secs Computing kpt #: 91 total cpu time spent up to now is 71.7 secs Computing kpt #: 92 total cpu time spent up to now is 72.6 secs Computing kpt #: 93 total cpu time spent up to now is 73.3 secs Computing kpt #: 94 total cpu time spent up to now is 74.3 secs Computing kpt #: 95 total cpu time spent up to now is 75.3 secs Computing kpt #: 96 total cpu time spent up to now is 76.4 secs Computing kpt #: 97 total cpu time spent up to now is 77.5 secs Computing kpt #: 98 total cpu time spent up to now is 79.0 secs Computing kpt #: 99 total cpu time spent up to now is 80.3 secs Computing kpt #: 100 total cpu time spent up to now is 81.7 secs Computing kpt #: 101 total cpu time spent up to now is 82.7 secs Computing kpt #: 102 total cpu time spent up to now is 83.7 secs Computing kpt #: 103 total cpu time spent up to now is 84.7 secs Computing kpt #: 104 total cpu time spent up to now is 85.7 secs Computing kpt #: 105 total cpu time spent up to now is 86.6 secs Computing kpt #: 106 total cpu time spent up to now is 87.6 secs Computing kpt #: 107 total cpu time spent up to now is 88.5 secs Computing kpt #: 108 total cpu time spent up to now is 89.4 secs Computing kpt #: 109 total cpu time spent up to now is 90.4 secs Computing kpt #: 110 total cpu 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Computing kpt #: 124 total cpu time spent up to now is 105.3 secs Computing kpt #: 125 total cpu time spent up to now is 105.9 secs Computing kpt #: 126 total cpu time spent up to now is 106.5 secs Computing kpt #: 127 total cpu time spent up to now is 107.4 secs Computing kpt #: 128 total cpu time spent up to now is 108.3 secs Computing kpt #: 129 total cpu time spent up to now is 109.4 secs Computing kpt #: 130 total cpu time spent up to now is 110.4 secs Computing kpt #: 131 total cpu time spent up to now is 111.3 secs Computing kpt #: 132 total cpu time spent up to now is 112.1 secs Computing kpt #: 133 total cpu time spent up to now is 113.0 secs Computing kpt #: 134 total cpu time spent up to now is 113.8 secs Computing kpt #: 135 total cpu time spent up to now is 114.6 secs Computing kpt #: 136 total cpu time spent up to now is 115.3 secs Computing kpt #: 137 total cpu time spent up to now is 116.2 secs Computing kpt #: 138 total cpu time spent up to now is 117.0 secs Computing kpt #: 139 total cpu time spent up to now is 117.8 secs Computing kpt #: 140 total cpu time spent up to now is 118.6 secs Computing kpt #: 141 total cpu time spent up to now is 119.3 secs Computing kpt #: 142 total cpu time spent up to now is 120.0 secs Computing kpt #: 143 total cpu time spent up to now is 120.7 secs Computing kpt #: 144 total cpu time spent up to now is 121.3 secs Computing kpt #: 145 total cpu time spent up to now is 121.9 secs Computing kpt #: 146 total cpu time spent up to now is 122.4 secs Computing kpt #: 147 total cpu time spent up to now is 123.0 secs Computing kpt #: 148 total cpu time spent up to now is 123.6 secs Computing kpt #: 149 total cpu time spent up to now is 124.1 secs Computing kpt #: 150 total cpu time spent up to now is 124.7 secs Computing kpt #: 151 total cpu time spent up to now is 125.3 secs Computing kpt #: 152 total cpu time spent up to now is 125.9 secs Computing kpt #: 153 total cpu time spent up to now is 126.5 secs Computing kpt #: 154 total cpu time spent up to now is 127.0 secs Computing kpt #: 155 total cpu time spent up to now is 127.6 secs Computing kpt #: 156 total cpu time spent up to now is 128.1 secs Computing kpt #: 157 total cpu time spent up to now is 128.9 secs Computing kpt #: 158 total cpu time spent up to now is 129.7 secs Computing kpt #: 159 total cpu time spent up to now is 130.5 secs Computing kpt #: 160 total cpu time spent up to now is 131.4 secs Computing kpt #: 161 total cpu time spent up to now is 132.4 secs Computing kpt #: 162 total cpu time spent up to now is 133.2 secs Computing kpt #: 163 total cpu time spent up to now is 134.1 secs Computing kpt #: 164 total cpu time spent up to now is 134.9 secs Computing kpt #: 165 total cpu time spent up to now is 135.8 secs Computing kpt #: 166 total cpu time spent up to now is 136.5 secs Computing kpt #: 167 total cpu time spent up to now is 137.4 secs Computing kpt #: 168 total cpu time spent up to now is 138.3 secs Computing kpt #: 169 total cpu 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up to now is 150.2 secs Computing kpt #: 185 total cpu time spent up to now is 150.9 secs Computing kpt #: 186 total cpu time spent up to now is 151.6 secs Computing kpt #: 187 total cpu time spent up to now is 152.4 secs Computing kpt #: 188 total cpu time spent up to now is 153.1 secs Computing kpt #: 189 total cpu time spent up to now is 153.9 secs Computing kpt #: 190 total cpu time spent up to now is 154.8 secs Computing kpt #: 191 total cpu time spent up to now is 155.6 secs Computing kpt #: 192 total cpu time spent up to now is 156.5 secs Computing kpt #: 193 total cpu time spent up to now is 157.6 secs Computing kpt #: 194 total cpu time spent up to now is 158.8 secs Computing kpt #: 195 total cpu time spent up to now is 160.0 secs Computing kpt #: 196 total cpu time spent up to now is 161.0 secs Computing kpt #: 197 total cpu time spent up to now is 162.0 secs Computing kpt #: 198 total cpu time spent up to now is 163.0 secs Computing kpt #: 199 total cpu time spent up to now is 163.9 secs Computing kpt #: 200 total cpu time spent up to now is 164.9 secs Computing kpt #: 201 total cpu time spent up to now is 166.0 secs Computing kpt #: 202 total cpu time spent up to now is 167.7 secs Computing kpt #: 203 total cpu time spent up to now is 169.2 secs Computing kpt #: 204 total cpu time spent up to now is 170.6 secs Computing kpt #: 205 total cpu time spent up to now is 172.0 secs Computing kpt #: 206 total cpu time spent up to now is 173.4 secs Computing kpt #: 207 total cpu time spent up to now is 174.9 secs Computing kpt #: 208 total cpu time spent up to now is 176.4 secs Computing kpt #: 209 total cpu time spent up to now is 177.8 secs Computing kpt #: 210 total cpu time spent up to now is 179.1 secs Computing kpt #: 211 total cpu time spent up to now is 180.0 secs Computing kpt #: 212 total cpu time spent up to now is 180.9 secs Computing kpt #: 213 total cpu time spent up to now is 181.7 secs Computing kpt #: 214 total cpu time spent up to now is 182.5 secs Computing kpt #: 215 total cpu time spent up to now is 183.3 secs Computing kpt #: 216 total cpu time spent up to now is 184.1 secs Computing kpt #: 217 total cpu time spent up to now is 184.8 secs Computing kpt #: 218 total cpu time spent up to now is 185.6 secs Computing kpt #: 219 total cpu time spent up to now is 186.5 secs Computing kpt #: 220 total cpu time spent up to now is 187.4 secs Computing kpt #: 221 total cpu time spent up to now is 188.3 secs Computing kpt #: 222 total cpu time spent up to now is 189.2 secs Computing kpt #: 223 total cpu time spent up to now is 190.2 secs Computing kpt #: 224 total cpu time spent up to now is 191.1 secs Computing kpt #: 225 total cpu time spent up to now is 192.0 secs Computing kpt #: 226 total cpu time spent up to now is 192.9 secs Computing kpt #: 227 total cpu time spent up to now is 193.7 secs Computing kpt #: 228 total cpu time spent up to now is 194.6 secs Computing kpt #: 229 total cpu time spent up to now is 195.4 secs Computing kpt #: 230 total cpu time spent up to now is 196.2 secs Computing kpt #: 231 total cpu time spent up to now is 197.1 secs Computing kpt #: 232 total cpu time spent up to now is 197.9 secs Computing kpt #: 233 total cpu time spent up to now is 198.7 secs Computing kpt #: 234 total cpu time spent up to now is 199.5 secs Computing kpt #: 235 total cpu time spent up to now is 200.3 secs Computing kpt #: 236 total cpu time spent up to now is 201.2 secs Computing kpt #: 237 total cpu time spent up to now is 202.0 secs Computing kpt #: 238 total cpu time spent up to now is 202.8 secs Computing kpt #: 239 total cpu time spent up to now is 203.6 secs Computing kpt #: 240 total cpu time spent up to now is 204.4 secs Computing kpt #: 241 total cpu time spent up to now is 205.1 secs Computing kpt #: 242 total cpu time spent up to now is 205.9 secs Computing kpt #: 243 total cpu time spent up to now is 206.7 secs Computing kpt #: 244 total cpu time spent up to now is 207.5 secs Computing kpt #: 245 total cpu time spent up to now is 208.3 secs Computing kpt #: 246 total cpu time spent up to now is 209.2 secs Computing kpt #: 247 total cpu time spent up to now is 210.1 secs Computing kpt #: 248 total cpu time spent up to now is 211.0 secs Computing kpt #: 249 total cpu time spent up to now is 211.9 secs Computing kpt #: 250 total cpu time spent up to now is 212.9 secs Computing kpt #: 251 total cpu time spent up to now is 214.0 secs Computing kpt #: 252 total cpu time spent up to now is 215.0 secs Computing kpt #: 253 total cpu time spent up to now is 216.1 secs Computing kpt #: 254 total cpu time spent up to now is 217.1 secs Computing kpt #: 255 total cpu time spent up to now is 218.1 secs Computing kpt #: 256 total cpu time spent up to now is 219.1 secs Computing kpt #: 257 total cpu time spent up to now is 220.1 secs Computing kpt #: 258 total cpu time spent up to now is 221.0 secs Computing kpt #: 259 total cpu time spent up to now is 222.0 secs Computing kpt #: 260 total cpu time spent up to now is 223.0 secs Computing kpt #: 261 total cpu time spent up to now is 223.9 secs Computing kpt #: 262 total cpu time spent up to now is 224.9 secs Computing kpt #: 263 total cpu time spent up to now is 225.8 secs Computing kpt #: 264 total cpu time spent up to now is 226.8 secs Computing kpt #: 265 total cpu time spent up to now is 227.8 secs Computing kpt #: 266 total cpu time spent up to now is 228.9 secs Computing kpt #: 267 total cpu time spent up to now is 229.9 secs Computing kpt #: 268 total cpu time spent up to now is 230.8 secs Computing kpt #: 269 total cpu time spent up to now is 231.7 secs Computing kpt #: 270 total cpu time spent up to now is 232.4 secs Computing kpt #: 271 total cpu time spent up to now is 233.1 secs Computing kpt #: 272 total cpu time spent up to now is 233.8 secs Computing kpt #: 273 total cpu time spent up to now is 234.4 secs Computing kpt #: 274 total cpu time spent up to now is 234.9 secs Computing kpt #: 275 total cpu time spent up to now is 235.5 secs Computing kpt #: 276 total cpu time spent up to now is 236.1 secs Computing kpt #: 277 total cpu time spent up to now is 236.6 secs Computing kpt #: 278 total cpu time spent up to now is 237.2 secs Computing kpt #: 279 total cpu time spent up to now is 237.7 secs Computing kpt #: 280 total cpu time spent up to now is 238.3 secs Computing kpt #: 281 total cpu time spent up to now is 238.8 secs Computing kpt #: 282 total cpu time spent up to now is 239.4 secs Computing kpt #: 283 total cpu time spent up to now is 240.2 secs Computing kpt #: 284 total cpu time spent up to now is 241.1 secs Computing kpt #: 285 total cpu time spent up to now is 242.0 secs Computing kpt #: 286 total cpu time spent up to now is 242.7 secs Computing kpt #: 287 total cpu time spent up to now is 243.4 secs Computing kpt #: 288 total cpu time spent up to now is 243.9 secs Computing kpt #: 289 total cpu time spent up to now is 244.5 secs Computing kpt #: 290 total cpu time spent up to now is 245.2 secs Computing kpt #: 291 total cpu time spent up to now is 245.7 secs Computing kpt #: 292 total cpu time spent up to now is 246.3 secs Computing kpt #: 293 total cpu time spent up to now is 247.0 secs Computing kpt #: 294 total cpu time spent up to now is 247.8 secs Computing kpt #: 295 total cpu time spent up to now is 248.5 secs Computing kpt #: 296 total cpu time spent up to now is 249.3 secs Computing kpt #: 297 total cpu time spent up to now is 250.1 secs Computing kpt #: 298 total cpu time spent up to now is 250.9 secs Computing kpt #: 299 total cpu time spent up to now is 251.9 secs Computing kpt #: 300 total cpu time spent up to now is 252.8 secs Computing kpt #: 301 total cpu time spent up to now is 253.8 secs Computing kpt #: 302 total cpu time spent up to now is 254.9 secs Computing kpt #: 303 total cpu time spent up to now is 255.8 secs Computing kpt #: 304 total cpu time spent up to now is 256.7 secs Computing kpt #: 305 total cpu time spent up to now is 257.7 secs Computing kpt #: 306 total cpu time spent up to now is 258.6 secs Computing kpt #: 307 total cpu time spent up to now is 259.5 secs Computing kpt #: 308 total cpu time spent up to now is 260.5 secs Computing kpt #: 309 total cpu time spent up to now is 261.3 secs Computing kpt #: 310 total cpu time spent up to now is 262.2 secs Computing kpt #: 311 total cpu time spent up to now is 263.1 secs Computing kpt #: 312 total cpu time spent up to now is 263.7 secs Computing kpt #: 313 total cpu time spent up to now is 264.4 secs Computing kpt #: 314 total cpu time spent up to now is 265.1 secs Computing kpt #: 315 total cpu time spent up to now is 265.8 secs Computing kpt #: 316 total cpu time spent up to now is 266.4 secs Computing kpt #: 317 total cpu time spent up to now is 267.1 secs Computing kpt #: 318 total cpu time spent up to now is 267.8 secs Computing kpt #: 319 total cpu time spent up to now is 268.5 secs Computing kpt #: 320 total cpu time spent up to now is 269.3 secs Computing kpt #: 321 total cpu time spent up to now is 270.1 secs Computing kpt #: 322 total cpu time spent up to now is 271.1 secs Computing kpt #: 323 total cpu time spent up to now is 272.0 secs Computing kpt #: 324 total cpu time spent up to now is 273.0 secs Computing kpt #: 325 total cpu time spent up to now is 274.1 secs Computing kpt #: 326 total cpu time spent up to now is 275.3 secs Computing kpt #: 327 total cpu time spent up to now is 276.8 secs Computing kpt #: 328 total cpu time spent up to now is 278.3 secs Computing kpt #: 329 total cpu time spent up to now is 279.8 secs Computing kpt #: 330 total cpu time spent up to now is 281.2 secs Computing kpt #: 331 total cpu time spent up to now is 282.2 secs Computing kpt #: 332 total cpu time spent up to now is 283.4 secs Computing kpt #: 333 total cpu time spent up to now is 284.3 secs Computing kpt #: 334 total cpu time spent up to now is 285.3 secs Computing kpt #: 335 total cpu time spent up to now is 286.3 secs Computing kpt #: 336 total cpu time spent up to now is 287.3 secs Computing kpt #: 337 total cpu time spent up to now is 288.3 secs Computing kpt #: 338 total cpu time spent up to now is 289.3 secs Computing kpt #: 339 total cpu time spent up to now is 290.3 secs Computing kpt #: 340 total cpu time spent up to now is 291.4 secs Computing kpt #: 341 total cpu time spent up to now is 292.4 secs Computing kpt #: 342 total cpu time spent up to now is 293.4 secs Computing kpt #: 343 total cpu time spent up to now is 294.4 secs Computing kpt #: 344 total cpu time spent up to now is 295.5 secs Computing kpt #: 345 total cpu time spent up to now is 296.4 secs Computing kpt #: 346 total cpu time spent up to now is 297.5 secs Computing kpt #: 347 total cpu time spent up to now is 298.5 secs Computing kpt #: 348 total cpu time spent up to now is 299.5 secs Computing kpt #: 349 total cpu time spent up to now is 300.6 secs ethr = 2.17E-08, avg # of iterations = 39.7 total cpu time spent up to now is 300.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5235 PWs) bands (ev): -2.2273 -2.2273 -0.6894 -0.6894 0.1404 0.1404 4.5796 4.5796 4.9023 4.9023 5.6858 5.6858 5.7582 5.7582 5.8719 5.8719 5.8889 5.8889 6.8005 6.8005 6.8253 6.8253 6.9070 6.9070 6.9505 6.9505 7.1745 7.1745 7.4282 7.4282 7.4777 7.4777 7.5915 7.5915 7.8266 7.8266 8.1672 8.1672 8.7957 8.7957 8.8721 8.8721 9.2710 9.2710 10.2498 10.2498 11.0988 11.0988 11.1524 11.1524 11.6618 11.6618 11.6656 11.6656 12.3026 12.3026 k = 0.0000 0.0119-0.0000 ( 5227 PWs) bands (ev): -2.2258 -2.2258 -0.6882 -0.6882 0.1416 0.1416 4.5809 4.5809 4.9025 4.9025 5.6853 5.6853 5.7579 5.7579 5.8720 5.8720 5.8807 5.8807 6.7929 6.7929 6.8296 6.8296 6.8924 6.8924 6.9535 6.9535 7.1747 7.1747 7.4283 7.4283 7.4861 7.4861 7.5994 7.5994 7.8247 7.8247 8.1665 8.1665 8.7918 8.7918 8.8685 8.8685 9.2795 9.2795 10.2558 10.2558 11.0943 11.0943 11.1481 11.1481 11.6450 11.6450 11.6665 11.6665 12.3105 12.3105 k = 0.0000 0.0238-0.0000 ( 5239 PWs) bands (ev): -2.2212 -2.2212 -0.6847 -0.6847 0.1452 0.1452 4.5849 4.5849 4.9031 4.9031 5.6840 5.6840 5.7572 5.7572 5.8547 5.8547 5.8744 5.8744 6.7767 6.7767 6.8296 6.8296 6.8610 6.8610 6.9609 6.9609 7.1755 7.1755 7.4278 7.4278 7.5043 7.5043 7.6254 7.6254 7.8192 7.8192 8.1644 8.1644 8.7772 8.7772 8.8617 8.8617 9.3037 9.3037 10.2737 10.2737 11.0807 11.0807 11.1349 11.1349 11.6030 11.6030 11.6671 11.6671 12.3198 12.3198 k = 0.0000 0.0357-0.0000 ( 5235 PWs) bands (ev): -2.2137 -2.2137 -0.6787 -0.6787 0.1511 0.1511 4.5916 4.5916 4.9043 4.9043 5.6809 5.6809 5.7560 5.7560 5.8134 5.8134 5.8766 5.8766 6.7515 6.7515 6.7976 6.7976 6.8521 6.8521 6.9721 6.9721 7.1767 7.1767 7.4262 7.4262 7.5213 7.5213 7.6705 7.6705 7.8109 7.8109 8.1607 8.1607 8.7484 8.7484 8.8587 8.8587 9.3410 9.3410 10.3029 10.3029 11.0574 11.0574 11.1121 11.1121 11.5481 11.5481 11.6678 11.6678 12.3094 12.3094 k = 0.0000 0.0476-0.0000 ( 5243 PWs) bands (ev): -2.2031 -2.2031 -0.6703 -0.6703 0.1593 0.1593 4.6009 4.6009 4.9058 4.9058 5.6733 5.6733 5.7537 5.7537 5.7595 5.7595 5.8799 5.8799 6.7052 6.7052 6.7679 6.7679 6.8531 6.8531 6.9866 6.9866 7.1783 7.1783 7.4238 7.4238 7.5339 7.5339 7.7266 7.7266 7.8021 7.8021 8.1554 8.1554 8.7070 8.7070 8.8612 8.8612 9.3887 9.3887 10.3423 10.3423 11.0237 11.0237 11.0783 11.0783 11.4921 11.4921 11.6691 11.6691 12.2782 12.2782 k = 0.0000 0.0595-0.0000 ( 5246 PWs) bands (ev): -2.1895 -2.1895 -0.6596 -0.6596 0.1698 0.1698 4.6128 4.6128 4.9075 4.9075 5.6427 5.6427 5.7092 5.7092 5.7531 5.7531 5.8841 5.8841 6.6460 6.6460 6.7501 6.7501 6.8527 6.8527 7.0032 7.0032 7.1805 7.1805 7.4204 7.4204 7.5434 7.5434 7.7677 7.7677 7.8119 7.8119 8.1484 8.1484 8.6575 8.6575 8.8673 8.8673 9.4451 9.4451 10.3910 10.3910 10.9789 10.9789 11.0329 11.0329 11.4432 11.4432 11.6712 11.6712 12.2334 12.2334 k = 0.0000 0.0714-0.0000 ( 5244 PWs) bands (ev): -2.1729 -2.1729 -0.6464 -0.6464 0.1826 0.1826 4.6273 4.6273 4.9094 4.9094 5.5644 5.5644 5.6910 5.6910 5.7514 5.7514 5.8892 5.8892 6.5856 6.5856 6.7365 6.7365 6.8505 6.8505 7.0211 7.0211 7.1831 7.1831 7.4162 7.4162 7.5504 7.5504 7.7645 7.7645 7.8655 7.8655 8.1395 8.1395 8.6038 8.6038 8.8756 8.8756 9.5088 9.5088 10.4478 10.4478 10.9222 10.9222 10.9775 10.9775 11.4048 11.4048 11.6744 11.6744 12.1806 12.1806 k = 0.0000 0.0833-0.0000 ( 5244 PWs) bands (ev): -2.1532 -2.1532 -0.6310 -0.6310 0.1976 0.1976 4.6443 4.6443 4.9112 4.9112 5.4610 5.4610 5.6830 5.6830 5.7499 5.7499 5.8951 5.8951 6.5277 6.5277 6.7251 6.7251 6.8465 6.8465 7.0394 7.0394 7.1863 7.1863 7.4112 7.4112 7.5539 7.5539 7.7553 7.7553 7.9229 7.9229 8.1287 8.1287 8.5494 8.5494 8.8849 8.8849 9.5787 9.5787 10.5118 10.5118 10.8532 10.8532 10.9160 10.9160 11.3767 11.3767 11.6790 11.6790 12.1233 12.1233 k = 0.0000 0.0952-0.0000 ( 5240 PWs) bands (ev): -2.1306 -2.1306 -0.6132 -0.6132 0.2147 0.2147 4.6638 4.6638 4.9129 4.9129 5.3434 5.3434 5.6762 5.6762 5.7487 5.7487 5.9018 5.9018 6.4729 6.4729 6.7153 6.7153 6.8409 6.8409 7.0575 7.0575 7.1901 7.1901 7.4054 7.4054 7.5521 7.5521 7.7499 7.7499 7.9734 7.9734 8.1159 8.1159 8.4982 8.4982 8.8947 8.8947 9.6537 9.6537 10.5818 10.5818 10.7737 10.7737 10.8510 10.8510 11.3567 11.3567 11.6853 11.6853 12.0642 12.0642 k = 0.0000 0.1071-0.0000 ( 5252 PWs) bands (ev): -2.1050 -2.1050 -0.5931 -0.5931 0.2340 0.2340 4.6856 4.6856 4.9140 4.9140 5.2154 5.2154 5.6687 5.6687 5.7481 5.7481 5.9093 5.9093 6.4211 6.4211 6.7067 6.7067 6.8339 6.8339 7.0747 7.0747 7.1944 7.1944 7.3988 7.3988 7.5433 7.5433 7.7513 7.7513 8.0118 8.0118 8.1011 8.1011 8.4554 8.4554 8.9043 8.9043 9.7329 9.7329 10.6553 10.6553 10.6892 10.6892 10.7833 10.7833 11.3422 11.3422 11.6937 11.6937 12.0054 12.0054 k = 0.0000 0.1190-0.0000 ( 5256 PWs) bands (ev): -2.0764 -2.0764 -0.5707 -0.5707 0.2552 0.2552 4.7098 4.7098 4.9143 4.9143 5.0793 5.0793 5.6602 5.6602 5.7480 5.7480 5.9175 5.9175 6.3719 6.3719 6.6992 6.6992 6.8256 6.8256 7.0906 7.0906 7.1992 7.1992 7.3914 7.3914 7.5274 7.5274 7.7606 7.7606 8.0317 8.0317 8.0850 8.0850 8.4277 8.4277 8.9133 8.9133 9.8152 9.8152 10.5956 10.5956 10.7117 10.7117 10.7399 10.7399 11.3314 11.3314 11.7045 11.7045 11.9487 11.9487 k = 0.0000 0.1310-0.0000 ( 5268 PWs) bands (ev): -2.0449 -2.0449 -0.5460 -0.5460 0.2784 0.2784 4.7362 4.7362 4.9125 4.9125 4.9381 4.9381 5.6503 5.6503 5.7485 5.7485 5.9264 5.9264 6.3250 6.3250 6.6923 6.6923 6.8160 6.8160 7.1050 7.1050 7.2042 7.2042 7.3833 7.3833 7.5054 7.5054 7.7771 7.7771 8.0290 8.0290 8.0670 8.0670 8.4212 8.4212 8.9213 8.9213 9.8996 9.8996 10.5036 10.5036 10.6402 10.6402 10.8227 10.8227 11.3229 11.3229 11.7178 11.7178 11.8956 11.8956 k = 0.0000 0.1429-0.0000 ( 5266 PWs) bands (ev): -2.0103 -2.0103 -0.5191 -0.5191 0.3033 0.3033 4.7644 4.7644 4.7895 4.7895 4.9123 4.9123 5.6390 5.6390 5.7497 5.7497 5.9358 5.9358 6.2802 6.2802 6.6859 6.6859 6.8052 6.8052 7.1176 7.1176 7.2093 7.2093 7.3745 7.3745 7.4791 7.4791 7.7993 7.7993 8.0081 8.0081 8.0436 8.0436 8.4362 8.4362 8.9282 8.9282 9.9854 9.9854 10.4112 10.4112 10.5664 10.5664 10.9090 10.9090 11.3157 11.3157 11.7338 11.7338 11.8474 11.8474 k = 0.0000 0.1548-0.0000 ( 5266 PWs) bands (ev): -1.9728 -1.9728 -0.4899 -0.4899 0.3300 0.3300 4.6385 4.6385 4.7953 4.7953 4.9083 4.9083 5.6262 5.6262 5.7515 5.7515 5.9458 5.9458 6.2378 6.2378 6.6797 6.6797 6.7933 6.7933 7.1284 7.1284 7.2137 7.2137 7.3651 7.3651 7.4501 7.4501 7.8259 7.8259 7.9757 7.9757 8.0156 8.0156 8.4674 8.4674 8.9337 8.9337 10.0716 10.0716 10.3193 10.3193 10.4916 10.4916 10.9968 10.9968 11.3091 11.3091 11.7516 11.7516 11.8062 11.8062 k = 0.0000 0.1667-0.0000 ( 5266 PWs) bands (ev): -1.9324 -1.9324 -0.4586 -0.4586 0.3583 0.3583 4.4851 4.4851 4.8273 4.8273 4.9023 4.9023 5.6120 5.6120 5.7538 5.7538 5.9562 5.9562 6.1978 6.1978 6.6734 6.6734 6.7804 6.7804 7.1371 7.1371 7.2166 7.2166 7.3551 7.3551 7.4195 7.4195 7.8549 7.8549 7.9373 7.9373 7.9862 7.9862 8.5087 8.5087 8.9379 8.9379 10.1567 10.1567 10.2296 10.2296 10.4166 10.4166 11.0845 11.0845 11.3028 11.3028 11.7569 11.7569 11.7873 11.7873 k = 0.0000 0.1786-0.0000 ( 5270 PWs) bands (ev): -1.8891 -1.8891 -0.4252 -0.4252 0.3879 0.3879 4.3300 4.3300 4.8603 4.8603 4.8941 4.8941 5.5964 5.5964 5.7567 5.7567 5.9666 5.9666 6.1609 6.1609 6.6669 6.6669 6.7665 6.7665 7.1439 7.1439 7.2170 7.2170 7.3446 7.3446 7.3885 7.3885 7.8737 7.8737 7.9080 7.9080 7.9580 7.9580 8.5564 8.5564 8.9407 8.9407 10.1377 10.1377 10.2426 10.2426 10.3442 10.3442 11.1696 11.1696 11.2966 11.2966 11.7332 11.7332 11.8077 11.8077 k = 0.0000 0.1905-0.0000 ( 5266 PWs) bands (ev): -1.8428 -1.8428 -0.3897 -0.3897 0.4188 0.4188 4.1736 4.1736 4.8777 4.8777 4.8997 4.8997 5.5793 5.5793 5.7600 5.7600 5.9766 5.9766 6.1280 6.1280 6.6599 6.6599 6.7518 6.7518 7.1488 7.1488 7.2135 7.2135 7.3336 7.3336 7.3582 7.3582 7.8456 7.8456 7.9095 7.9095 7.9494 7.9494 8.6082 8.6082 8.9422 8.9422 10.0511 10.0511 10.2556 10.2556 10.3409 10.3409 11.2467 11.2467 11.2934 11.2934 11.7120 11.7120 11.8366 11.8366 k = 0.0000 0.2024-0.0000 ( 5268 PWs) bands (ev): -1.7937 -1.7937 -0.3521 -0.3521 0.4508 0.4508 4.0165 4.0165 4.8636 4.8636 4.9340 4.9340 5.5611 5.5611 5.7637 5.7637 5.9853 5.9853 6.1005 6.1005 6.6520 6.6520 6.7364 6.7364 7.1516 7.1516 7.2051 7.2051 7.3195 7.3195 7.3314 7.3314 7.8098 7.8098 7.8849 7.8849 7.9812 7.9812 8.6630 8.6630 8.9426 8.9426 9.9662 9.9662 10.1847 10.1847 10.4212 10.4212 11.2723 11.2723 11.3332 11.3332 11.6980 11.6980 11.8696 11.8696 k = 0.0000 0.2143-0.0000 ( 5272 PWs) bands (ev): -1.7417 -1.7417 -0.3126 -0.3126 0.4836 0.4836 3.8592 3.8592 4.8440 4.8440 4.9703 4.9703 5.5420 5.5420 5.7679 5.7679 5.9906 5.9906 6.0808 6.0808 6.6431 6.6431 6.7206 6.7206 7.1518 7.1518 7.1912 7.1912 7.2955 7.2955 7.3153 7.3153 7.7785 7.7785 7.8555 7.8555 8.0224 8.0224 8.7201 8.7201 8.9421 8.9421 9.8836 9.8836 10.1106 10.1106 10.5038 10.5038 11.2645 11.2645 11.3937 11.3937 11.6918 11.6918 11.9062 11.9062 k = 0.0000 0.2262-0.0000 ( 5266 PWs) bands (ev): -1.6868 -1.6868 -0.2711 -0.2711 0.5170 0.5170 3.7021 3.7021 4.8200 4.8200 5.0066 5.0066 5.5223 5.5223 5.7726 5.7726 5.9902 5.9902 6.0716 6.0716 6.6326 6.6326 6.7049 6.7049 7.1477 7.1477 7.1737 7.1737 7.2683 7.2683 7.3024 7.3024 7.7537 7.7537 7.8271 7.8271 8.0669 8.0669 8.7790 8.7790 8.9413 8.9413 9.8035 9.8035 10.0366 10.0366 10.5848 10.5848 11.2527 11.2527 11.4408 11.4408 11.6936 11.6936 11.9461 11.9461 k = 0.0000 0.2381-0.0000 ( 5262 PWs) bands (ev): -1.6291 -1.6291 -0.2277 -0.2277 0.5508 0.5508 3.5455 3.5455 4.7916 4.7916 5.0417 5.0417 5.5028 5.5028 5.7776 5.7776 5.9841 5.9841 6.0732 6.0732 6.6202 6.6202 6.6897 6.6897 7.1335 7.1335 7.1591 7.1591 7.2408 7.2408 7.2885 7.2885 7.7362 7.7362 7.8015 7.8015 8.1136 8.1136 8.8391 8.8391 8.9407 8.9407 9.7260 9.7260 9.9631 9.9631 10.6622 10.6622 11.2382 11.2382 11.4689 11.4689 11.7032 11.7032 11.9890 11.9890 k = 0.0000 0.2500-0.0000 ( 5266 PWs) bands (ev): -1.5686 -1.5686 -0.1826 -0.1826 0.5847 0.5847 3.3896 3.3896 4.7590 4.7590 5.0740 5.0740 5.4849 5.4849 5.7832 5.7832 5.9761 5.9761 6.0819 6.0819 6.6056 6.6056 6.6754 6.6754 7.1078 7.1078 7.1496 7.1496 7.2129 7.2129 7.2726 7.2726 7.7262 7.7262 7.7799 7.7799 8.1621 8.1621 8.8976 8.8976 8.9434 8.9434 9.6512 9.6512 9.8904 9.8904 10.7339 10.7339 11.2210 11.2210 11.4765 11.4765 11.7206 11.7206 12.0348 12.0348 k = 0.0000 0.2619-0.0000 ( 5266 PWs) bands (ev): -1.5053 -1.5053 -0.1358 -0.1358 0.6183 0.6183 3.2348 3.2348 4.7226 4.7226 5.1012 5.1012 5.4705 5.4705 5.7893 5.7893 5.9692 5.9692 6.0945 6.0945 6.5886 6.5886 6.6622 6.6622 7.0770 7.0770 7.1394 7.1394 7.1850 7.1850 7.2549 7.2549 7.7232 7.7232 7.7632 7.7632 8.2117 8.2117 8.9294 8.9294 8.9748 8.9748 9.5792 9.5792 9.8186 9.8186 10.7958 10.7958 11.2007 11.2007 11.4673 11.4673 11.7452 11.7452 12.0832 12.0832 k = 0.0000 0.2738-0.0000 ( 5258 PWs) bands (ev): -1.4392 -1.4392 -0.0873 -0.0873 0.6513 0.6513 3.0813 3.0813 4.6829 4.6829 5.1202 5.1202 5.4626 5.4626 5.7961 5.7961 5.9651 5.9651 6.1092 6.1092 6.5693 6.5693 6.6501 6.6501 7.0438 7.0438 7.1246 7.1246 7.1588 7.1588 7.2355 7.2355 7.7265 7.7265 7.7523 7.7523 8.2618 8.2618 8.9344 8.9344 9.0351 9.0351 9.5100 9.5100 9.7477 9.7477 10.8412 10.8412 11.1771 11.1771 11.4518 11.4518 11.7767 11.7767 12.1339 12.1339 k = 0.0000 0.2857-0.0000 ( 5262 PWs) bands (ev): -1.3704 -1.3704 -0.0373 -0.0373 0.6833 0.6833 2.9293 2.9293 4.6407 4.6407 5.1276 5.1276 5.4641 5.4641 5.8035 5.8035 5.9639 5.9639 6.1253 6.1253 6.5482 6.5482 6.6390 6.6390 7.0090 7.0090 7.1021 7.1021 7.1375 7.1375 7.2148 7.2148 7.7348 7.7348 7.7476 7.7476 8.3119 8.3119 8.9386 8.9386 9.0988 9.0988 9.4438 9.4438 9.6780 9.6780 10.8612 10.8612 11.1497 11.1497 11.4451 11.4451 11.8144 11.8144 12.1867 12.1867 k = 0.0000 0.2976-0.0000 ( 5254 PWs) bands (ev): -1.2989 -1.2989 0.0141 0.0141 0.7139 0.7139 2.7791 2.7791 4.5967 4.5967 5.1215 5.1215 5.4768 5.4768 5.8118 5.8118 5.9657 5.9657 6.1423 6.1423 6.5257 6.5257 6.6286 6.6286 6.9733 6.9733 7.0732 7.0732 7.1202 7.1202 7.1935 7.1935 7.7443 7.7443 7.7522 7.7522 8.3611 8.3611 8.9455 8.9455 9.1624 9.1624 9.3805 9.3805 9.6096 9.6096 10.8492 10.8492 11.1185 11.1185 11.4598 11.4598 11.8576 11.8576 12.2411 12.2411 k = 0.0000 0.3095-0.0000 ( 5262 PWs) bands (ev): -1.2247 -1.2247 0.0668 0.0668 0.7424 0.7424 2.6309 2.6309 4.5518 4.5518 5.1026 5.1026 5.4999 5.4999 5.8209 5.8209 5.9702 5.9702 6.1601 6.1601 6.5021 6.5021 6.6188 6.6188 6.9370 6.9370 7.0417 7.0417 7.1040 7.1040 7.1718 7.1718 7.7522 7.7522 7.7678 7.7678 8.4081 8.4081 8.9566 8.9566 9.2242 9.2242 9.3207 9.3207 9.5426 9.5426 10.8075 10.8075 11.0831 11.0831 11.4994 11.4994 11.9053 11.9053 12.2969 12.2969 k = 0.0000 0.3214-0.0000 ( 5260 PWs) bands (ev): -1.1478 -1.1478 0.1206 0.1206 0.7684 0.7684 2.4849 2.4849 4.5071 4.5071 5.0731 5.0731 5.5309 5.5309 5.8308 5.8308 5.9771 5.9771 6.1784 6.1784 6.4778 6.4778 6.6096 6.6096 6.9006 6.9006 7.0096 7.0096 7.0875 7.0875 7.1503 7.1503 7.7641 7.7641 7.7879 7.7879 8.4520 8.4520 8.9734 8.9734 9.2566 9.2566 9.2905 9.2905 9.4775 9.4775 10.7458 10.7458 11.0434 11.0434 11.5587 11.5587 11.9565 11.9565 12.3535 12.3535 k = 0.0000 0.3333-0.0000 ( 5254 PWs) bands (ev): -1.0684 -1.0684 0.1756 0.1756 0.7913 0.7913 2.3415 2.3415 4.4633 4.4633 5.0355 5.0355 5.5672 5.5672 5.8414 5.8414 5.9858 5.9858 6.1972 6.1972 6.4531 6.4531 6.6009 6.6009 6.8645 6.8645 6.9775 6.9775 7.0705 7.0705 7.1291 7.1291 7.7807 7.7807 7.8109 7.8109 8.4915 8.4915 8.9970 8.9970 9.2057 9.2057 9.3404 9.3404 9.4158 9.4158 10.6750 10.6750 10.9991 10.9991 11.6312 11.6312 12.0095 12.0095 12.4104 12.4104 k = 0.0000 0.3452-0.0000 ( 5254 PWs) bands (ev): -0.9864 -0.9864 0.2314 0.2314 0.8103 0.8103 2.2010 2.2010 4.4216 4.4216 4.9920 4.9920 5.6067 5.6067 5.8528 5.8528 5.9960 5.9960 6.2162 6.2162 6.4284 6.4284 6.5926 6.5926 6.8294 6.8294 6.9459 6.9459 7.0533 7.0533 7.1083 7.1083 7.8018 7.8018 7.8362 7.8362 8.5258 8.5258 9.0283 9.0283 9.1542 9.1542 9.3458 9.3458 9.3973 9.3973 10.6043 10.6043 10.9503 10.9503 11.7118 11.7118 12.0615 12.0615 12.4655 12.4655 k = 0.0000 0.3571-0.0000 ( 5250 PWs) bands (ev): -0.9019 -0.9019 0.2879 0.2879 0.8246 0.8246 2.0639 2.0639 4.3826 4.3826 4.9441 4.9441 5.6477 5.6477 5.8649 5.8649 6.0073 6.0073 6.2351 6.2351 6.4040 6.4040 6.5849 6.5849 6.7954 6.7954 6.9150 6.9150 7.0360 7.0360 7.0880 7.0880 7.8269 7.8269 7.8634 7.8634 8.5543 8.5543 9.0671 9.0671 9.1054 9.1054 9.2908 9.2908 9.4321 9.4321 10.5412 10.5412 10.8967 10.8967 11.7973 11.7973 12.1065 12.1065 12.4544 12.4544 k = 0.0000 0.3690-0.0000 ( 5248 PWs) bands (ev): -0.8150 -0.8150 0.3450 0.3450 0.8333 0.8333 1.9307 1.9307 4.3474 4.3474 4.8930 4.8930 5.6893 5.6893 5.8775 5.8775 6.0193 6.0193 6.2533 6.2533 6.3808 6.3808 6.5777 6.5777 6.7632 6.7632 6.8848 6.8848 7.0191 7.0191 7.0684 7.0684 7.8557 7.8557 7.8920 7.8920 8.5776 8.5776 9.0593 9.0593 9.1102 9.1102 9.2393 9.2393 9.4554 9.4554 10.4927 10.4927 10.8386 10.8386 11.8856 11.8856 12.1289 12.1289 12.3896 12.3896 k = 0.0000 0.3810-0.0000 ( 5246 PWs) bands (ev): -0.7257 -0.7257 0.4025 0.4025 0.8354 0.8354 1.8022 1.8022 4.3165 4.3165 4.8395 4.8395 5.7305 5.7305 5.8907 5.8907 6.0316 6.0316 6.2693 6.2693 6.3604 6.3604 6.5711 6.5711 6.7329 6.7329 6.8553 6.8553 7.0028 7.0028 7.0493 7.0493 7.8877 7.8877 7.9219 7.9219 8.5962 8.5962 9.0160 9.0160 9.1361 9.1361 9.2149 9.2149 9.4610 9.4610 10.4640 10.4640 10.7763 10.7763 11.9748 11.9748 12.1017 12.1017 12.3705 12.3705 k = 0.0000 0.3929-0.0000 ( 5248 PWs) bands (ev): -0.6341 -0.6341 0.4601 0.4601 0.8294 0.8294 1.6793 1.6793 4.2908 4.2908 4.7845 4.7845 5.7705 5.7705 5.9044 5.9044 6.0438 6.0438 6.2785 6.2785 6.3472 6.3472 6.5652 6.5652 6.7049 6.7049 6.8266 6.8266 6.9873 6.9873 7.0310 7.0310 7.9223 7.9223 7.9527 7.9527 8.6114 8.6114 8.9754 8.9754 9.1072 9.1072 9.2545 9.2545 9.4470 9.4470 10.4581 10.4581 10.7102 10.7102 12.0244 12.0244 12.0672 12.0672 12.3954 12.3954 k = 0.0000 0.4048-0.0000 ( 5248 PWs) bands (ev): -0.5403 -0.5403 0.5176 0.5176 0.8138 0.8138 1.5633 1.5633 4.2707 4.2707 4.7289 4.7289 5.8089 5.8089 5.9185 5.9185 6.0555 6.0555 6.2743 6.2743 6.3482 6.3482 6.5599 6.5599 6.6794 6.6794 6.7986 6.7986 6.9731 6.9731 7.0134 7.0134 7.9589 7.9589 7.9840 7.9840 8.6242 8.6242 8.9376 8.9376 9.0636 9.0636 9.3166 9.3166 9.4156 9.4156 10.4741 10.4741 10.6416 10.6416 11.9312 11.9312 12.1533 12.1533 12.4375 12.4375 k = 0.0000 0.4167-0.0000 ( 5244 PWs) bands (ev): -0.4444 -0.4444 0.5749 0.5749 0.7871 0.7871 1.4558 1.4558 4.2568 4.2568 4.6732 4.6732 5.8451 5.8451 5.9329 5.9329 6.0664 6.0664 6.2589 6.2589 6.3611 6.3611 6.5551 6.5551 6.6568 6.6568 6.7716 6.7716 6.9601 6.9601 6.9969 6.9969 7.9965 7.9965 8.0155 8.0155 8.6355 8.6355 8.9025 8.9025 9.0214 9.0214 9.3533 9.3533 9.4019 9.4019 10.5014 10.5014 10.5787 10.5787 11.8286 11.8286 12.2381 12.2381 12.4827 12.4827 k = 0.0000 0.4286-0.0000 ( 5238 PWs) bands (ev): -0.3466 -0.3466 0.6315 0.6315 0.7476 0.7476 1.3582 1.3582 4.2494 4.2494 4.6183 4.6183 5.8784 5.8784 5.9474 5.9474 6.0763 6.0763 6.2394 6.2394 6.3787 6.3787 6.5505 6.5505 6.6373 6.6373 6.7454 6.7454 6.9489 6.9489 6.9816 6.9816 8.0339 8.0339 8.0469 8.0469 8.6462 8.6462 8.8700 8.8700 8.9838 8.9838 9.3016 9.3016 9.4708 9.4708 10.4719 10.4719 10.5859 10.5859 11.7229 11.7229 12.3185 12.3185 12.5254 12.5254 k = 0.0000 0.4405-0.0000 ( 5242 PWs) bands (ev): -0.2471 -0.2471 0.6814 0.6814 0.7001 0.7001 1.2715 1.2715 4.2486 4.2486 4.5648 4.5648 5.9083 5.9083 5.9616 5.9616 6.0852 6.0852 6.2190 6.2190 6.3980 6.3980 6.5454 6.5454 6.6217 6.6217 6.7203 6.7203 6.9394 6.9394 6.9675 6.9675 8.0692 8.0692 8.0779 8.0779 8.6569 8.6569 8.8400 8.8400 8.9527 8.9527 9.2379 9.2379 9.5495 9.5495 10.3976 10.3976 10.6480 10.6480 11.6160 11.6160 12.3926 12.3926 12.5625 12.5625 k = 0.0000 0.4524-0.0000 ( 5236 PWs) bands (ev): -0.1462 -0.1462 0.6250 0.6250 0.7446 0.7446 1.1956 1.1956 4.2546 4.2546 4.5134 4.5134 5.9344 5.9344 5.9750 5.9750 6.0931 6.0931 6.1990 6.1990 6.4178 6.4178 6.5390 6.5390 6.6110 6.6110 6.6966 6.6966 6.9320 6.9320 6.9551 6.9551 8.1000 8.1000 8.1081 8.1081 8.6681 8.6681 8.8126 8.8126 8.9301 8.9301 9.1722 9.1722 9.6313 9.6313 10.3166 10.3166 10.7242 10.7242 11.5089 11.5089 12.4584 12.4584 12.5922 12.5922 k = 0.0000 0.4643-0.0000 ( 5224 PWs) bands (ev): -0.0442 -0.0442 0.5459 0.5459 0.7989 0.7989 1.1287 1.1287 4.2672 4.2672 4.4649 4.4649 5.9563 5.9563 5.9865 5.9865 6.1008 6.1008 6.1798 6.1798 6.4374 6.4374 6.5302 6.5302 6.6060 6.6060 6.6746 6.6746 6.9267 6.9267 6.9445 6.9445 8.1259 8.1259 8.1349 8.1349 8.6803 8.6803 8.7875 8.7875 8.9178 8.9178 9.1082 9.1082 9.7153 9.7153 10.2328 10.2328 10.8085 10.8085 11.4025 11.4025 12.5143 12.5143 12.6131 12.6131 k = 0.0000 0.4762-0.0000 ( 5222 PWs) bands (ev): 0.0585 0.0585 0.4573 0.4573 0.8526 0.8526 1.0686 1.0686 4.2863 4.2863 4.4198 4.4198 5.9738 5.9738 5.9945 5.9945 6.1092 6.1092 6.1619 6.1619 6.4562 6.4562 6.5190 6.5190 6.6068 6.6068 6.6546 6.6546 6.9237 6.9237 6.9358 6.9358 8.1468 8.1468 8.1550 8.1550 8.6938 8.6938 8.7647 8.7647 8.9178 8.9178 9.0495 9.0495 9.8008 9.8008 10.1474 10.1474 10.8989 10.8989 11.2973 11.2973 12.5592 12.5592 12.6243 12.6243 k = 0.0000 0.4881-0.0000 ( 5226 PWs) bands (ev): 0.1611 0.1611 0.3621 0.3621 0.9058 0.9058 1.0126 1.0126 4.3116 4.3116 4.3788 4.3788 5.9868 5.9868 5.9975 5.9975 6.1191 6.1191 6.1456 6.1456 6.4741 6.4741 6.5057 6.5057 6.6127 6.6127 6.6372 6.6372 6.9231 6.9231 6.9292 6.9292 8.1614 8.1614 8.1664 8.1664 8.7088 8.7088 8.7441 8.7441 8.9314 8.9314 8.9988 8.9988 9.8872 9.8872 10.0610 10.0610 10.9939 10.9939 11.1937 11.1937 12.5926 12.5926 12.6248 12.6248 k = 0.0000 0.5000-0.0000 ( 5228 PWs) bands (ev): 0.2628 0.2628 0.2628 0.2628 0.9588 0.9588 0.9588 0.9588 4.3426 4.3426 4.3426 4.3426 5.9949 5.9949 5.9949 5.9949 6.1313 6.1313 6.1313 6.1313 6.4906 6.4906 6.4906 6.4906 6.6230 6.6230 6.6230 6.6230 6.9250 6.9250 6.9250 6.9250 8.1684 8.1684 8.1684 8.1684 8.7255 8.7255 8.7255 8.7255 8.9587 8.9587 8.9587 8.9587 9.9741 9.9741 9.9741 9.9741 11.0924 11.0924 11.0924 11.0924 12.6144 12.6144 12.6144 12.6144 k = 0.0000 0.5000-0.0000 ( 5228 PWs) bands (ev): 0.2628 0.2628 0.2628 0.2628 0.9588 0.9588 0.9588 0.9588 4.3426 4.3426 4.3426 4.3426 5.9949 5.9949 5.9949 5.9949 6.1313 6.1313 6.1313 6.1313 6.4906 6.4906 6.4906 6.4906 6.6230 6.6230 6.6230 6.6230 6.9250 6.9250 6.9250 6.9250 8.1684 8.1684 8.1684 8.1684 8.7255 8.7255 8.7255 8.7255 8.9587 8.9587 8.9587 8.9587 9.9741 9.9741 9.9741 9.9741 11.0924 11.0924 11.0924 11.0924 12.6144 12.6144 12.6144 12.6144 k = 0.0119 0.5000-0.0000 ( 5232 PWs) bands (ev): 0.2637 0.2637 0.2639 0.2639 0.9595 0.9595 0.9597 0.9597 4.3433 4.3433 4.3433 4.3433 5.9909 5.9909 5.9995 5.9995 6.1269 6.1269 6.1360 6.1360 6.4879 6.4879 6.4922 6.4922 6.6206 6.6206 6.6254 6.6254 6.9251 6.9251 6.9257 6.9257 8.1659 8.1659 8.1695 8.1695 8.7156 8.7156 8.7192 8.7192 8.9557 8.9557 8.9656 8.9656 9.9534 9.9534 9.9672 9.9672 11.1018 11.1018 11.1138 11.1138 12.6150 12.6150 12.6153 12.6153 k = 0.0238 0.5000-0.0000 ( 5232 PWs) bands (ev): 0.2668 0.2668 0.2672 0.2672 0.9619 0.9619 0.9621 0.9621 4.3452 4.3452 4.3453 4.3453 5.9874 5.9874 6.0045 6.0045 6.1228 6.1228 6.1410 6.1410 6.4841 6.4841 6.4926 6.4926 6.6180 6.6180 6.6277 6.6277 6.9262 6.9262 6.9273 6.9273 8.1620 8.1620 8.1691 8.1691 8.6917 8.6917 8.6979 8.6979 8.9550 8.9550 8.9737 8.9737 9.9092 9.9092 9.9347 9.9347 11.1402 11.1402 11.1623 11.1623 12.6170 12.6170 12.6177 12.6177 k = 0.0357 0.5000-0.0000 ( 5232 PWs) bands (ev): 0.2721 0.2721 0.2727 0.2727 0.9658 0.9658 0.9661 0.9661 4.3485 4.3485 4.3486 4.3486 5.9845 5.9845 6.0100 6.0100 6.1193 6.1193 6.1463 6.1463 6.4792 6.4792 6.4918 6.4918 6.6155 6.6155 6.6298 6.6298 6.9281 6.9281 6.9297 6.9297 8.1565 8.1565 8.1671 8.1671 8.6571 8.6571 8.6650 8.6650 8.9524 8.9524 8.9784 8.9784 9.8496 9.8496 9.8839 9.8839 11.2017 11.2017 11.2313 11.2313 12.6204 12.6204 12.6215 12.6215 k = 0.0476 0.5000-0.0000 ( 5242 PWs) bands (ev): 0.2794 0.2794 0.2802 0.2802 0.9713 0.9713 0.9717 0.9717 4.3530 4.3530 4.3531 4.3531 5.9823 5.9823 6.0159 6.0159 6.1164 6.1164 6.1519 6.1519 6.4733 6.4733 6.4898 6.4898 6.6129 6.6129 6.6318 6.6318 6.9307 6.9307 6.9328 6.9328 8.1495 8.1495 8.1634 8.1634 8.6145 8.6145 8.6236 8.6236 8.9426 8.9426 8.9749 8.9749 9.7837 9.7837 9.8240 9.8240 11.2791 11.2791 11.3137 11.3137 12.6253 12.6253 12.6267 12.6267 k = 0.0595 0.5000-0.0000 ( 5254 PWs) bands (ev): 0.2889 0.2889 0.2898 0.2898 0.9783 0.9783 0.9789 0.9789 4.3587 4.3587 4.3589 4.3589 5.9807 5.9807 6.0221 6.0221 6.1142 6.1142 6.1577 6.1577 6.4665 6.4665 6.4867 6.4867 6.6103 6.6103 6.6337 6.6337 6.9339 6.9339 6.9364 6.9364 8.1407 8.1407 8.1577 8.1577 8.5654 8.5654 8.5763 8.5763 8.9215 8.9215 8.9589 8.9589 9.7201 9.7201 9.7633 9.7633 11.3662 11.3662 11.4039 11.4039 12.6315 12.6315 12.6334 12.6334 k = 0.0714 0.5000-0.0000 ( 5256 PWs) bands (ev): 0.3004 0.3004 0.3015 0.3015 0.9870 0.9870 0.9877 0.9877 4.3654 4.3654 4.3657 4.3657 5.9799 5.9799 6.0285 6.0285 6.1130 6.1130 6.1638 6.1638 6.4588 6.4588 6.4825 6.4825 6.6077 6.6077 6.6354 6.6354 6.9375 6.9375 6.9404 6.9404 8.1299 8.1299 8.1497 8.1497 8.5106 8.5106 8.5241 8.5241 8.8864 8.8864 8.9278 8.9278 9.6651 9.6651 9.7086 9.7086 11.4584 11.4584 11.4978 11.4978 12.6389 12.6389 12.6414 12.6414 k = 0.0833 0.5000-0.0000 ( 5244 PWs) bands (ev): 0.3139 0.3139 0.3151 0.3151 0.9972 0.9972 0.9981 0.9981 4.3730 4.3730 4.3735 4.3735 5.9798 5.9798 6.0351 6.0351 6.1129 6.1129 6.1702 6.1702 6.4504 6.4504 6.4773 6.4773 6.6051 6.6051 6.6369 6.6369 6.9415 6.9415 6.9448 6.9448 8.1168 8.1168 8.1387 8.1387 8.4500 8.4500 8.4677 8.4677 8.8370 8.8370 8.8815 8.8815 9.6224 9.6224 9.6635 9.6635 11.5520 11.5520 11.5921 11.5921 12.6474 12.6474 12.6506 12.6506 k = 0.0952 0.5000-0.0000 ( 5254 PWs) bands (ev): 0.3294 0.3294 0.3308 0.3308 1.0090 1.0090 1.0100 1.0100 4.3814 4.3814 4.3821 4.3821 5.9806 5.9806 6.0418 6.0418 6.1140 6.1140 6.1770 6.1770 6.4413 6.4413 6.4713 6.4713 6.6021 6.6021 6.6379 6.6379 6.9456 6.9456 6.9491 6.9491 8.1007 8.1007 8.1240 8.1240 8.3834 8.3834 8.4072 8.4072 8.7758 8.7758 8.8231 8.8231 9.5920 9.5920 9.6290 9.6290 11.6446 11.6446 11.6845 11.6845 12.6564 12.6564 12.6608 12.6608 k = 0.1071 0.5000-0.0000 ( 5266 PWs) bands (ev): 0.3468 0.3468 0.3483 0.3483 1.0223 1.0223 1.0235 1.0235 4.3904 4.3904 4.3915 4.3915 5.9822 5.9822 6.0484 6.0484 6.1166 6.1166 6.1841 6.1841 6.4317 6.4317 6.4645 6.4645 6.5988 6.5988 6.6384 6.6384 6.9497 6.9497 6.9534 6.9534 8.0804 8.0804 8.1036 8.1036 8.3106 8.3106 8.3427 8.3427 8.7077 8.7077 8.7580 8.7580 9.5716 9.5716 9.6038 9.6038 11.7341 11.7341 11.7730 11.7730 12.6649 12.6649 12.6710 12.6710 k = 0.1190 0.5000-0.0000 ( 5264 PWs) bands (ev): 0.3660 0.3660 0.3676 0.3676 1.0373 1.0373 1.0386 1.0386 4.3998 4.3998 4.4013 4.4013 5.9849 5.9849 6.0550 6.0550 6.1208 6.1208 6.1917 6.1917 6.4217 6.4217 6.4573 6.4573 6.5948 6.5948 6.6382 6.6382 6.9537 6.9537 6.9574 6.9574 8.0533 8.0533 8.0744 8.0744 8.2334 8.2334 8.2760 8.2760 8.6383 8.6383 8.6919 8.6919 9.5580 9.5580 9.5852 9.5852 11.8184 11.8184 11.8557 11.8557 12.6695 12.6695 12.6786 12.6786 k = 0.1310 0.5000-0.0000 ( 5272 PWs) bands (ev): 0.3871 0.3871 0.3888 0.3888 1.0537 1.0537 1.0553 1.0553 4.4095 4.4095 4.4114 4.4114 5.9885 5.9885 6.0616 6.0616 6.1268 6.1268 6.1998 6.1998 6.4113 6.4113 6.4496 6.4496 6.5897 6.5897 6.6370 6.6370 6.9576 6.9576 6.9612 6.9612 8.0122 8.0122 8.0302 8.0302 8.1585 8.1585 8.2119 8.2119 8.5728 8.5728 8.6293 8.6293 9.5481 9.5481 9.5707 9.5707 11.8955 11.8955 11.9302 11.9302 12.6633 12.6634 12.6739 12.6739 k = 0.1429 0.5000-0.0000 ( 5280 PWs) bands (ev): 0.4098 0.4098 0.4116 0.4116 1.0718 1.0718 1.0736 1.0736 4.4192 4.4192 4.4216 4.4216 5.9931 5.9931 6.0683 6.0683 6.1344 6.1344 6.2085 6.2085 6.4006 6.4006 6.4417 6.4417 6.5832 6.5832 6.6343 6.6343 6.9612 6.9612 6.9646 6.9646 7.9458 7.9458 7.9642 7.9642 8.0984 8.0984 8.1574 8.1574 8.5144 8.5144 8.5727 8.5727 9.5394 9.5394 9.5581 9.5581 11.9628 11.9628 11.9940 11.9940 12.6425 12.6425 12.6516 12.6516 k = 0.1548 0.5000-0.0000 ( 5272 PWs) bands (ev): 0.4342 0.4342 0.4359 0.4359 1.0914 1.0914 1.0934 1.0934 4.4287 4.4287 4.4317 4.4317 5.9990 5.9990 6.0752 6.0752 6.1436 6.1436 6.2179 6.2179 6.3898 6.3898 6.4336 6.4336 6.5749 6.5749 6.6297 6.6297 6.9645 6.9645 6.9675 6.9675 7.8535 7.8535 7.8770 7.8770 8.0559 8.0559 8.1141 8.1141 8.4640 8.4640 8.5228 8.5228 9.5303 9.5303 9.5454 9.5454 12.0172 12.0172 12.0436 12.0436 12.6182 12.6182 12.6289 12.6290 k = 0.1667 0.5000-0.0000 ( 5280 PWs) bands (ev): 0.4600 0.4600 0.4618 0.4618 1.1125 1.1125 1.1148 1.1148 4.4379 4.4379 4.4415 4.4415 6.0060 6.0060 6.0825 6.0825 6.1543 6.1543 6.2279 6.2279 6.3786 6.3786 6.4255 6.4255 6.5641 6.5641 6.6226 6.6226 6.9676 6.9676 6.9700 6.9700 7.7467 7.7467 7.7755 7.7755 8.0222 8.0222 8.0776 8.0776 8.4212 8.4212 8.4793 8.4793 9.5193 9.5193 9.5315 9.5315 12.0556 12.0556 12.0762 12.0762 12.6025 12.6025 12.6175 12.6175 k = 0.1786 0.5000-0.0000 ( 5280 PWs) bands (ev): 0.4872 0.4872 0.4890 0.4890 1.1353 1.1353 1.1378 1.1378 4.4464 4.4464 4.4508 4.4508 6.0142 6.0142 6.0902 6.0902 6.1666 6.1666 6.2386 6.2386 6.3673 6.3673 6.4172 6.4172 6.5503 6.5503 6.6122 6.6122 6.9704 6.9704 6.9721 6.9721 7.6341 7.6341 7.6670 7.6670 7.9918 7.9918 8.0441 8.0441 8.3851 8.3851 8.4415 8.4415 9.5056 9.5056 9.5151 9.5151 12.0761 12.0761 12.0906 12.0906 12.6012 12.6012 12.6212 12.6212 k = 0.1905 0.5000-0.0000 ( 5292 PWs) bands (ev): 0.5156 0.5156 0.5173 0.5173 1.1596 1.1596 1.1624 1.1624 4.4542 4.4542 4.4594 4.4594 6.0235 6.0235 6.0982 6.0982 6.1803 6.1803 6.2497 6.2497 6.3558 6.3558 6.4085 6.4085 6.5330 6.5330 6.5978 6.5978 6.9729 6.9729 6.9737 6.9737 7.5210 7.5210 7.5566 7.5566 7.9626 7.9626 8.0119 8.0119 8.3544 8.3544 8.4086 8.4086 9.4883 9.4883 9.4956 9.4956 12.0801 12.0801 12.0893 12.0893 12.6148 12.6148 12.6390 12.6390 k = 0.2024 0.5000-0.0000 ( 5292 PWs) bands (ev): 0.5452 0.5452 0.5468 0.5468 1.1855 1.1855 1.1886 1.1886 4.4611 4.4611 4.4670 4.4670 6.0339 6.0339 6.1061 6.1061 6.1955 6.1955 6.2607 6.2607 6.3444 6.3444 6.3987 6.3987 6.5121 6.5121 6.5783 6.5783 6.9748 6.9748 6.9749 6.9749 7.4114 7.4114 7.4481 7.4481 7.9338 7.9338 7.9804 7.9804 8.3280 8.3280 8.3797 8.3797 9.4671 9.4671 9.4724 9.4724 12.0721 12.0721 12.0773 12.0773 12.6401 12.6401 12.6667 12.6667 k = 0.2143 0.5000-0.0000 ( 5292 PWs) bands (ev): 0.5756 0.5756 0.5771 0.5771 1.2130 1.2130 1.2164 1.2164 4.4668 4.4668 4.4736 4.4736 6.0451 6.0451 6.1134 6.1134 6.2124 6.2124 6.2697 6.2697 6.3342 6.3342 6.3860 6.3860 6.4885 6.4885 6.5530 6.5530 6.9753 6.9753 6.9760 6.9760 7.3091 7.3091 7.3450 7.3450 7.9054 7.9054 7.9493 7.9493 8.3051 8.3051 8.3541 8.3541 9.4416 9.4416 9.4451 9.4451 12.0577 12.0577 12.0600 12.0600 12.6726 12.6726 12.6996 12.6996 k = 0.2262 0.5000-0.0000 ( 5292 PWs) bands (ev): 0.6068 0.6068 0.6082 0.6082 1.2420 1.2420 1.2458 1.2458 4.4713 4.4713 4.4789 4.4789 6.0568 6.0568 6.1189 6.1189 6.2309 6.2309 6.2710 6.2710 6.3294 6.3294 6.3665 6.3665 6.4658 6.4658 6.5219 6.5219 6.9746 6.9746 6.9752 6.9752 7.2183 7.2183 7.2507 7.2507 7.8772 7.8772 7.9188 7.9188 8.2849 8.2849 8.3314 8.3314 9.4114 9.4114 9.4134 9.4134 12.0416 12.0416 12.0416 12.0416 12.7082 12.7082 12.7339 12.7339 k = 0.2381 0.5000-0.0000 ( 5296 PWs) bands (ev): 0.6386 0.6386 0.6398 0.6398 1.2727 1.2727 1.2769 1.2769 4.4745 4.4745 4.4828 4.4828 6.0679 6.0679 6.1203 6.1203 6.2510 6.2510 6.2567 6.2567 6.3356 6.3356 6.3363 6.3363 6.4490 6.4490 6.4865 6.4865 6.9701 6.9701 6.9715 6.9715 7.1440 7.1440 7.1687 7.1687 7.8494 7.8494 7.8888 7.8888 8.2670 8.2670 8.3111 8.3111 9.3767 9.3767 9.3773 9.3773 12.0254 12.0254 12.0272 12.0272 12.7441 12.7441 12.7670 12.7670 k = 0.2500 0.5000-0.0000 ( 5290 PWs) bands (ev): 0.6707 0.6707 0.6718 0.6718 1.3050 1.3050 1.3095 1.3095 4.4763 4.4763 4.4854 4.4854 6.0761 6.0761 6.1128 6.1128 6.2272 6.2272 6.2702 6.2702 6.2997 6.2997 6.3502 6.3502 6.4405 6.4405 6.4509 6.4509 6.9561 6.9561 6.9624 6.9624 7.0923 7.0923 7.1039 7.1039 7.8219 7.8219 7.8594 7.8594 8.2509 8.2509 8.2928 8.2928 9.3366 9.3366 9.3374 9.3374 12.0133 12.0133 12.0167 12.0167 12.7785 12.7785 12.7976 12.7976 k = 0.2619 0.5000-0.0000 ( 5292 PWs) bands (ev): 0.7030 0.7030 0.7039 0.7039 1.3388 1.3388 1.3437 1.3437 4.4767 4.4767 4.4865 4.4865 6.0734 6.0734 6.0870 6.0870 6.1900 6.1900 6.2552 6.2552 6.3010 6.3010 6.3691 6.3691 6.4205 6.4205 6.4391 6.4391 6.9306 6.9306 6.9417 6.9417 7.0625 7.0625 7.0656 7.0656 7.7947 7.7947 7.8304 7.8304 8.2365 8.2365 8.2764 8.2764 9.2916 9.2916 9.2936 9.2936 12.0066 12.0066 12.0117 12.0117 12.8102 12.8102 12.8250 12.8250 k = 0.2738 0.5000-0.0000 ( 5300 PWs) bands (ev): 0.7353 0.7353 0.7359 0.7359 1.3742 1.3742 1.3794 1.3794 4.4758 4.4758 4.4861 4.4861 6.0339 6.0339 6.0392 6.0392 6.1664 6.1664 6.2335 6.2335 6.3241 6.3241 6.3868 6.3868 6.4018 6.4018 6.4435 6.4435 6.8995 6.8995 6.9089 6.9089 7.0441 7.0441 7.0567 7.0567 7.7677 7.7677 7.8019 7.8019 8.2235 8.2235 8.2615 8.2615 9.2426 9.2426 9.2457 9.2457 12.0062 12.0062 12.0131 12.0131 12.8386 12.8386 12.8493 12.8493 k = 0.2857 0.5000-0.0000 ( 5300 PWs) bands (ev): 0.7672 0.7672 0.7676 0.7676 1.4111 1.4111 1.4167 1.4167 4.4736 4.4736 4.4843 4.4843 5.9575 5.9575 5.9681 5.9681 6.1657 6.1657 6.2240 6.2240 6.3478 6.3478 6.3778 6.3778 6.4192 6.4192 6.4538 6.4538 6.8699 6.8699 6.8725 6.8725 7.0393 7.0393 7.0567 7.0567 7.7410 7.7410 7.7737 7.7737 8.2119 8.2119 8.2481 8.2481 9.1899 9.1899 9.1940 9.1940 12.0125 12.0125 12.0212 12.0212 12.8636 12.8636 12.8707 12.8707 k = 0.2976 0.5000-0.0000 ( 5300 PWs) bands (ev): 0.7987 0.7987 0.7989 0.7989 1.4494 1.4494 1.4553 1.4553 4.4701 4.4701 4.4812 4.4812 5.8672 5.8672 5.8776 5.8776 6.1744 6.1744 6.2211 6.2211 6.3670 6.3670 6.3696 6.3696 6.4458 6.4458 6.4705 6.4705 6.8383 6.8383 6.8443 6.8443 7.0407 7.0407 7.0609 7.0609 7.7144 7.7144 7.7458 7.7458 8.2014 8.2014 8.2360 8.2360 9.1339 9.1339 9.1389 9.1389 12.0257 12.0257 12.0365 12.0365 12.8855 12.8855 12.8897 12.8897 k = 0.3095 0.5000-0.0000 ( 5292 PWs) bands (ev): 0.8294 0.8294 0.8295 0.8295 1.4890 1.4890 1.4952 1.4952 4.4656 4.4656 4.4768 4.4768 5.7695 5.7695 5.7783 5.7783 6.1858 6.1858 6.2208 6.2208 6.3595 6.3595 6.3885 6.3885 6.4746 6.4746 6.4939 6.4939 6.8080 6.8080 6.8234 6.8234 7.0452 7.0452 7.0673 7.0673 7.6879 7.6879 7.7181 7.7181 8.1920 8.1920 8.2250 8.2250 9.0752 9.0752 9.0811 9.0811 12.0459 12.0459 12.0587 12.0587 12.9048 12.9048 12.9067 12.9067 k = 0.3214 0.5000-0.0000 ( 5298 PWs) bands (ev): 0.8591 0.8591 0.8594 0.8594 1.5297 1.5297 1.5362 1.5362 4.4600 4.4600 4.4714 4.4714 5.6680 5.6680 5.6751 5.6751 6.1975 6.1975 6.2215 6.2215 6.3548 6.3548 6.4042 6.4042 6.5045 6.5045 6.5229 6.5229 6.7821 6.7821 6.8073 6.8073 7.0518 7.0518 7.0751 7.0751 7.6615 7.6615 7.6904 7.6904 8.1835 8.1835 8.2151 8.2151 9.0144 9.0144 9.0210 9.0210 12.0729 12.0729 12.0878 12.0878 12.9217 12.9217 12.9220 12.9220 k = 0.3333 0.5000-0.0000 ( 5294 PWs) bands (ev): 0.8877 0.8877 0.8882 0.8882 1.5714 1.5714 1.5781 1.5781 4.4538 4.4538 4.4650 4.4650 5.5654 5.5654 5.5707 5.5707 6.2084 6.2084 6.2225 6.2225 6.3525 6.3525 6.4175 6.4175 6.5344 6.5344 6.5552 6.5552 6.7613 6.7613 6.7966 6.7966 7.0597 7.0597 7.0836 7.0836 7.6351 7.6351 7.6627 7.6627 8.1758 8.1758 8.2059 8.2059 8.9522 8.9522 8.9593 8.9593 12.1064 12.1064 12.1236 12.1236 12.9357 12.9357 12.9368 12.9368 k = 0.3452 0.5000-0.0000 ( 5300 PWs) bands (ev): 0.9150 0.9150 0.9157 0.9157 1.6138 1.6138 1.6207 1.6207 4.4469 4.4469 4.4579 4.4579 5.4633 5.4633 5.4671 5.4671 6.2180 6.2180 6.2236 6.2236 6.3521 6.3521 6.4291 6.4291 6.5629 6.5629 6.5876 6.5876 6.7472 6.7472 6.7922 6.7922 7.0687 7.0687 7.0927 7.0927 7.6088 7.6088 7.6351 7.6351 8.1686 8.1686 8.1973 8.1973 8.8893 8.8893 8.8967 8.8967 12.1462 12.1462 12.1657 12.1657 12.9481 12.9481 12.9502 12.9502 k = 0.3571 0.5000-0.0000 ( 5308 PWs) bands (ev): 0.9409 0.9409 0.9418 0.9418 1.6566 1.6566 1.6636 1.6636 4.4396 4.4396 4.4502 4.4502 5.3632 5.3632 5.3657 5.3657 6.2246 6.2246 6.2261 6.2261 6.3536 6.3536 6.4390 6.4390 6.5879 6.5879 6.6151 6.6151 6.7436 6.7436 6.7956 6.7956 7.0786 7.0786 7.1020 7.1020 7.5826 7.5826 7.6075 7.6075 8.1618 8.1618 8.1891 8.1891 8.8264 8.8264 8.8340 8.8340 12.1918 12.1918 12.2136 12.2136 12.9593 12.9593 12.9621 12.9621 k = 0.3690 0.5000-0.0000 ( 5308 PWs) bands (ev): 0.9653 0.9653 0.9662 0.9662 1.6994 1.6994 1.7064 1.7064 4.4321 4.4321 4.4422 4.4422 5.2662 5.2662 5.2676 5.2676 6.2257 6.2257 6.2327 6.2327 6.3564 6.3564 6.4472 6.4472 6.6074 6.6074 6.6315 6.6315 6.7557 6.7557 6.8084 6.8084 7.0894 7.0894 7.1114 7.1114 7.5566 7.5566 7.5798 7.5798 8.1551 8.1551 8.1811 8.1811 8.7643 8.7643 8.7719 8.7719 12.2429 12.2429 12.2669 12.2669 12.9694 12.9694 12.9728 12.9728 k = 0.3810 0.5000-0.0000 ( 5312 PWs) bands (ev): 0.9880 0.9880 0.9890 0.9890 1.7418 1.7418 1.7486 1.7486 4.4246 4.4246 4.4340 4.4340 5.1731 5.1731 5.1738 5.1738 6.2268 6.2268 6.2378 6.2378 6.3603 6.3603 6.4535 6.4535 6.6207 6.6207 6.6365 6.6365 6.7835 6.7835 6.8308 6.8308 7.1009 7.1009 7.1206 7.1206 7.5308 7.5308 7.5523 7.5523 8.1482 8.1482 8.1728 8.1728 8.7040 8.7040 8.7114 8.7114 12.2989 12.2989 12.3251 12.3251 12.9784 12.9784 12.9824 12.9824 k = 0.3929 0.5000-0.0000 ( 5320 PWs) bands (ev): 1.0089 1.0089 1.0099 1.0099 1.7832 1.7832 1.7899 1.7899 4.4173 4.4173 4.4259 4.4259 5.0851 5.0851 5.0852 5.0852 6.2279 6.2279 6.2415 6.2415 6.3650 6.3650 6.4574 6.4574 6.6289 6.6289 6.6357 6.6357 6.8205 6.8205 6.8612 6.8612 7.1133 7.1133 7.1295 7.1295 7.5054 7.5054 7.5248 7.5248 8.1407 8.1407 8.1640 8.1640 8.6464 8.6464 8.6534 8.6534 12.3593 12.3593 12.3876 12.3876 12.9863 12.9863 12.9908 12.9908 k = 0.4048 0.5000-0.0000 ( 5324 PWs) bands (ev): 1.0279 1.0279 1.0289 1.0289 1.8231 1.8231 1.8294 1.8294 4.4104 4.4104 4.4180 4.4180 5.0026 5.0026 5.0030 5.0030 6.2292 6.2292 6.2442 6.2442 6.3701 6.3701 6.4589 6.4589 6.6337 6.6337 6.6339 6.6339 6.8614 6.8614 6.8972 6.8972 7.1265 7.1265 7.1379 7.1379 7.4805 7.4805 7.4974 7.4974 8.1324 8.1324 8.1542 8.1542 8.5926 8.5926 8.5989 8.5989 12.4235 12.4235 12.4538 12.4538 12.9933 12.9933 12.9983 12.9983 k = 0.4167 0.5000-0.0000 ( 5320 PWs) bands (ev): 1.0448 1.0448 1.0458 1.0458 1.8608 1.8608 1.8667 1.8667 4.4039 4.4039 4.4106 4.4106 4.9270 4.9270 4.9276 4.9276 6.2306 6.2306 6.2459 6.2459 6.3754 6.3754 6.4579 6.4579 6.6330 6.6330 6.6367 6.6367 6.9033 6.9033 6.9365 6.9365 7.1407 7.1407 7.1456 7.1456 7.4561 7.4561 7.4701 7.4701 8.1230 8.1230 8.1432 8.1432 8.5435 8.5435 8.5490 8.5490 12.4909 12.4909 12.5230 12.5230 12.9993 12.9993 13.0048 13.0048 k = 0.4286 0.5000-0.0000 ( 5320 PWs) bands (ev): 1.0597 1.0597 1.0606 1.0606 1.8957 1.8957 1.9010 1.9010 4.3982 4.3982 4.4038 4.4038 4.8591 4.8591 4.8597 4.8597 6.2321 6.2321 6.2469 6.2469 6.3808 6.3808 6.4547 6.4547 6.6333 6.6333 6.6387 6.6387 6.9443 6.9443 6.9772 6.9772 7.1525 7.1525 7.1557 7.1557 7.4326 7.4326 7.4430 7.4430 8.1123 8.1123 8.1307 8.1307 8.5003 8.5003 8.5049 8.5049 12.5608 12.5608 12.5944 12.5944 13.0043 13.0043 13.0105 13.0105 k = 0.4405 0.5000-0.0000 ( 5316 PWs) bands (ev): 1.0724 1.0724 1.0733 1.0733 1.9269 1.9269 1.9316 1.9316 4.3932 4.3932 4.3978 4.3978 4.7998 4.7998 4.8004 4.8004 6.2338 6.2338 6.2473 6.2473 6.3863 6.3863 6.4499 6.4499 6.6348 6.6348 6.6404 6.6404 6.9830 6.9830 7.0175 7.0175 7.1585 7.1585 7.1718 7.1718 7.4099 7.4099 7.4162 7.4162 8.1006 8.1006 8.1169 8.1169 8.4638 8.4638 8.4674 8.4674 12.6322 12.6322 12.6668 12.6668 13.0084 13.0084 13.0154 13.0154 k = 0.4524 0.5000-0.0000 ( 5316 PWs) bands (ev): 1.0830 1.0830 1.0837 1.0837 1.9539 1.9539 1.9578 1.9578 4.3892 4.3892 4.3927 4.3927 4.7499 4.7499 4.7504 4.7504 6.2355 6.2355 6.2471 6.2471 6.3919 6.3919 6.4440 6.4440 6.6368 6.6368 6.6418 6.6418 7.0181 7.0181 7.0552 7.0552 7.1642 7.1642 7.1884 7.1884 7.3882 7.3882 7.3897 7.3897 8.0885 8.0885 8.1023 8.1023 8.4344 8.4344 8.4371 8.4371 12.7042 12.7042 12.7389 12.7389 13.0115 13.0115 13.0198 13.0198 k = 0.4643 0.5000-0.0000 ( 5320 PWs) bands (ev): 1.0912 1.0912 1.0918 1.0918 1.9758 1.9758 1.9788 1.9788 4.3861 4.3861 4.3886 4.3886 4.7101 4.7101 4.7104 4.7104 6.2373 6.2373 6.2464 6.2464 6.3977 6.3977 6.4373 6.4373 6.6391 6.6391 6.6430 6.6430 7.0488 7.0488 7.0871 7.0871 7.1714 7.1714 7.2049 7.2049 7.3644 7.3644 7.3678 7.3678 8.0772 8.0772 8.0880 8.0880 8.4121 8.4121 8.4141 8.4141 12.7751 12.7751 12.8086 12.8086 13.0137 13.0137 13.0238 13.0238 k = 0.4762 0.5000-0.0000 ( 5316 PWs) bands (ev): 1.0972 1.0972 1.0975 1.0975 1.9921 1.9921 1.9942 1.9942 4.3840 4.3840 4.3856 4.3856 4.6811 4.6811 4.6813 4.6813 6.2391 6.2391 6.2455 6.2455 6.4036 6.4036 6.4303 6.4303 6.6412 6.6412 6.6438 6.6438 7.0743 7.0743 7.1075 7.1075 7.1838 7.1838 7.2190 7.2190 7.3418 7.3418 7.3490 7.3490 8.0680 8.0680 8.0755 8.0755 8.3968 8.3968 8.3981 8.3981 12.8425 12.8425 12.8720 12.8720 13.0151 13.0151 13.0276 13.0276 k = 0.4881 0.5000-0.0000 ( 5316 PWs) bands (ev): 1.1008 1.1008 1.1010 1.1010 2.0024 2.0024 2.0034 2.0034 4.3829 4.3829 4.3837 4.3837 4.6635 4.6635 4.6636 4.6636 6.2409 6.2409 6.2442 6.2442 6.4099 6.4099 6.4233 6.4233 6.6428 6.6428 6.6441 6.6441 7.0941 7.0941 7.1132 7.1132 7.2023 7.2023 7.2258 7.2258 7.3263 7.3263 7.3332 7.3332 8.0626 8.0626 8.0665 8.0665 8.3880 8.3880 8.3886 8.3886 12.9007 12.9007 12.9201 12.9201 13.0165 13.0166 13.0294 13.0294 k = 0.5000 0.5000-0.0000 ( 5320 PWs) bands (ev): 1.1021 1.1021 1.1021 1.1021 2.0061 2.0061 2.0061 2.0061 4.3828 4.3828 4.3828 4.3828 4.6576 4.6576 4.6576 4.6576 6.2426 6.2426 6.2426 6.2426 6.4165 6.4165 6.4165 6.4165 6.6438 6.6438 6.6438 6.6438 7.1076 7.1076 7.1076 7.1076 7.2195 7.2195 7.2195 7.2195 7.3237 7.3237 7.3237 7.3237 8.0620 8.0620 8.0620 8.0620 8.3853 8.3853 8.3853 8.3853 12.9336 12.9336 12.9336 12.9336 13.0223 13.0223 13.0223 13.0223 k = 0.5000 0.5000-0.0000 ( 5320 PWs) bands (ev): 1.1021 1.1021 1.1021 1.1021 2.0061 2.0061 2.0061 2.0061 4.3828 4.3828 4.3828 4.3828 4.6576 4.6576 4.6576 4.6576 6.2426 6.2426 6.2426 6.2426 6.4165 6.4165 6.4165 6.4165 6.6438 6.6438 6.6438 6.6438 7.1076 7.1076 7.1076 7.1076 7.2195 7.2195 7.2195 7.2195 7.3237 7.3237 7.3237 7.3237 8.0620 8.0620 8.0620 8.0620 8.3853 8.3853 8.3853 8.3853 12.9336 12.9336 12.9336 12.9336 13.0223 13.0223 13.0223 13.0223 k = 0.4915 0.4915-0.0000 ( 5326 PWs) bands (ev): 1.0995 1.0995 1.1023 1.1023 1.9981 1.9981 2.0076 2.0076 4.3824 4.3824 4.3841 4.3841 4.6584 4.6584 4.6689 4.6689 6.2408 6.2408 6.2442 6.2442 6.4098 6.4098 6.4234 6.4234 6.6425 6.6425 6.6444 6.6444 7.0938 7.0938 7.1139 7.1139 7.1970 7.1970 7.2323 7.2323 7.3198 7.3198 7.3381 7.3381 8.0621 8.0621 8.0671 8.0671 8.3853 8.3853 8.3914 8.3914 12.8938 12.8938 12.9332 12.9332 12.9925 12.9925 13.0522 13.0522 k = 0.4831 0.4831-0.0000 ( 5318 PWs) bands (ev): 1.0918 1.0918 1.1028 1.1028 1.9746 1.9746 2.0118 2.0118 4.3817 4.3817 4.3880 4.3880 4.6606 4.6606 4.7021 4.7021 6.2385 6.2385 6.2461 6.2461 6.4033 6.4033 6.4307 6.4307 6.6395 6.6395 6.6454 6.6454 7.0741 7.0741 7.1126 7.1126 7.1597 7.1597 7.2518 7.2518 7.3116 7.3116 7.3649 7.3649 8.0650 8.0650 8.0798 8.0798 8.3853 8.3853 8.4091 8.4091 12.8244 12.8244 12.9197 12.9197 12.9444 12.9444 13.0938 13.0938 k = 0.4746 0.4746-0.0000 ( 5318 PWs) bands (ev): 1.0787 1.0787 1.1036 1.1036 1.9369 1.9369 2.0188 2.0188 4.3809 4.3809 4.3945 4.3945 4.6643 4.6643 4.7559 4.7559 6.2355 6.2355 6.2483 6.2483 6.3969 6.3969 6.4384 6.4384 6.6344 6.6344 6.6472 6.6472 7.0506 7.0506 7.0907 7.0907 7.1328 7.1328 7.2732 7.2732 7.3026 7.3026 7.3927 7.3927 8.0702 8.0702 8.1005 8.1005 8.3854 8.3854 8.4376 8.4376 12.7451 12.7451 12.8707 12.8707 12.9215 12.9215 13.1070 13.1070 k = 0.4661 0.4661-0.0000 ( 5324 PWs) bands (ev): 1.0601 1.0601 1.1046 1.1046 1.8872 1.8872 2.0286 2.0286 4.3801 4.3801 4.4034 4.4034 4.6695 4.6695 4.8282 4.8282 6.2315 6.2315 6.2512 6.2512 6.3902 6.3902 6.4467 6.4467 6.6271 6.6271 6.6498 6.6498 7.0191 7.0191 7.0489 7.0489 7.1269 7.1269 7.2706 7.2706 7.3165 7.3165 7.4177 7.4177 8.0775 8.0775 8.1290 8.1290 8.3856 8.3856 8.4755 8.4755 12.6606 12.6606 12.8096 12.8096 12.9046 12.9046 13.1121 13.1121 k = 0.4576 0.4576-0.0000 ( 5320 PWs) bands (ev): 1.0356 1.0356 1.1059 1.1059 1.8278 1.8278 2.0412 2.0412 4.3797 4.3797 4.4149 4.4149 4.6763 4.6763 4.9166 4.9166 6.2267 6.2267 6.2547 6.2547 6.3834 6.3834 6.4556 6.4556 6.6175 6.6175 6.6535 6.6535 6.9670 6.9670 7.0201 7.0201 7.1250 7.1250 7.2512 7.2512 7.3460 7.3460 7.4392 7.4392 8.0870 8.0870 8.1646 8.1646 8.3859 8.3859 8.5214 8.5214 12.5734 12.5734 12.7469 12.7469 12.8843 12.8843 13.1178 13.1178 k = 0.4492 0.4492-0.0000 ( 5328 PWs) bands (ev): 1.0048 1.0048 1.1073 1.1073 1.7614 1.7614 2.0567 2.0567 4.3799 4.3799 4.4289 4.4289 4.6847 4.6847 5.0186 5.0186 6.2211 6.2211 6.2587 6.2587 6.3762 6.3762 6.4650 6.4650 6.6057 6.6057 6.6584 6.6584 6.9036 6.9036 7.0001 7.0001 7.1237 7.1237 7.2283 7.2283 7.3778 7.3778 7.4571 7.4571 8.0990 8.0990 8.2066 8.2066 8.3865 8.3865 8.5733 8.5733 12.4857 12.4857 12.6840 12.6840 12.8598 12.8598 13.1245 13.1245 k = 0.4407 0.4407-0.0000 ( 5316 PWs) bands (ev): 0.9674 0.9674 1.1087 1.1087 1.6903 1.6903 2.0749 2.0749 4.3809 4.3809 4.4454 4.4454 4.6948 4.6948 5.1318 5.1318 6.2148 6.2148 6.2631 6.2631 6.3689 6.3689 6.4750 6.4750 6.5917 6.5917 6.6646 6.6646 6.8357 6.8357 6.9839 6.9839 7.1225 7.1225 7.2043 7.2043 7.4100 7.4100 7.4720 7.4720 8.1135 8.1135 8.2541 8.2541 8.3878 8.3878 8.6298 8.6298 12.3996 12.3996 12.6214 12.6214 12.8309 12.8309 13.1319 13.1319 k = 0.4322 0.4322-0.0000 ( 5312 PWs) bands (ev): 0.9227 0.9227 1.1101 1.1101 1.6167 1.6167 2.0959 2.0959 4.3831 4.3831 4.4644 4.4644 4.7065 4.7065 5.2539 5.2539 6.2078 6.2078 6.2678 6.2678 6.3613 6.3613 6.4855 6.4855 6.5756 6.5756 6.6720 6.6720 6.7653 6.7653 6.9707 6.9707 7.1210 7.1210 7.1809 7.1809 7.4418 7.4418 7.4847 7.4847 8.1307 8.1307 8.3047 8.3047 8.3914 8.3914 8.6889 8.6889 12.3171 12.3171 12.5591 12.5591 12.7977 12.7977 13.1399 13.1399 k = 0.4237 0.4237-0.0000 ( 5306 PWs) bands (ev): 0.8706 0.8706 1.1112 1.1112 1.5426 1.5426 2.1197 2.1197 4.3868 4.3868 4.4858 4.4858 4.7201 4.7201 5.3823 5.3823 6.2004 6.2004 6.2722 6.2722 6.3540 6.3540 6.4965 6.4965 6.5577 6.5577 6.6763 6.6763 6.6978 6.6978 6.9603 6.9603 7.1188 7.1188 7.1594 7.1594 7.4717 7.4717 7.4963 7.4963 8.1508 8.1508 8.3500 8.3500 8.4051 8.4051 8.7493 8.7493 12.2400 12.2400 12.4974 12.4974 12.7603 12.7603 13.1474 13.1474 k = 0.4153 0.4153-0.0000 ( 5296 PWs) bands (ev): 0.8109 0.8109 1.1121 1.1121 1.4694 1.4694 2.1463 2.1463 4.3921 4.3921 4.5096 4.5096 4.7354 4.7354 5.5145 5.5145 6.1928 6.1928 6.2758 6.2758 6.3474 6.3474 6.5074 6.5074 6.5385 6.5385 6.6172 6.6172 6.6949 6.6949 6.9526 6.9526 7.1150 7.1150 7.1420 7.1420 7.4946 7.4946 7.5125 7.5125 8.1740 8.1740 8.3699 8.3699 8.4487 8.4487 8.8092 8.8092 12.1700 12.1700 12.4363 12.4363 12.7186 12.7186 13.1517 13.1517 k = 0.4068 0.4068-0.0000 ( 5304 PWs) bands (ev): 0.7437 0.7437 1.1125 1.1125 1.3981 1.3981 2.1757 2.1757 4.3994 4.3994 4.5358 4.5358 4.7527 4.7527 5.6471 5.6471 6.1856 6.1856 6.2772 6.2772 6.3424 6.3424 6.5070 6.5070 6.5262 6.5262 6.5487 6.5487 6.7073 6.7073 6.9473 6.9473 7.1076 7.1076 7.1317 7.1317 7.5061 7.5061 7.5378 7.5378 8.2004 8.2004 8.3748 8.3748 8.5112 8.5112 8.8672 8.8672 12.1088 12.1088 12.3760 12.3760 12.6729 12.6729 13.1463 13.1463 k = 0.3983 0.3983-0.0000 ( 5300 PWs) bands (ev): 0.6695 0.6695 1.1123 1.1123 1.3291 1.3291 2.2079 2.2079 4.4089 4.4089 4.5644 4.5644 4.7720 4.7720 5.7754 5.7754 6.1798 6.1798 6.2743 6.2743 6.3403 6.3403 6.4599 6.4599 6.5053 6.5053 6.5374 6.5374 6.7221 6.7221 6.9447 6.9447 7.0989 7.0989 7.1278 7.1278 7.5140 7.5140 7.5647 7.5647 8.2302 8.2302 8.3764 8.3764 8.5805 8.5805 8.9219 8.9219 12.0580 12.0580 12.3164 12.3164 12.6232 12.6232 13.1297 13.1297 k = 0.3898 0.3898-0.0000 ( 5298 PWs) bands (ev): 0.5891 0.5891 1.1113 1.1113 1.2625 1.2625 2.2429 2.2429 4.4208 4.4208 4.5953 4.5953 4.7934 4.7934 5.8919 5.8919 6.1781 6.1781 6.2643 6.2643 6.3401 6.3401 6.3969 6.3969 6.4829 6.4829 6.5521 6.5521 6.7391 6.7391 6.9447 6.9447 7.0937 7.0937 7.1274 7.1274 7.5211 7.5211 7.5905 7.5905 8.2634 8.2634 8.3769 8.3769 8.6541 8.6541 8.9720 8.9720 12.0186 12.0186 12.2576 12.2576 12.5698 12.5698 13.1070 13.1070 k = 0.3814 0.3814-0.0000 ( 5306 PWs) bands (ev): 0.5034 0.5034 1.1094 1.1094 1.1981 1.1981 2.2807 2.2807 4.4351 4.4351 4.6286 4.6286 4.8170 4.8170 5.9829 5.9829 6.1848 6.1848 6.2417 6.2417 6.3245 6.3245 6.3633 6.3633 6.4648 6.4648 6.5698 6.5698 6.7585 6.7585 6.9477 6.9477 7.0946 7.0946 7.1308 7.1308 7.5282 7.5282 7.6149 7.6149 8.3001 8.3001 8.3770 8.3770 8.7311 8.7311 9.0168 9.0168 11.9915 11.9915 12.1996 12.1996 12.5128 12.5128 13.0820 13.0820 k = 0.3729 0.3729-0.0000 ( 5296 PWs) bands (ev): 0.4136 0.4136 1.1062 1.1062 1.1354 1.1354 2.3212 2.3212 4.4521 4.4521 4.6640 4.6640 4.8429 4.8429 6.0332 6.0332 6.1767 6.1767 6.2260 6.2260 6.2956 6.2956 6.3694 6.3694 6.4515 6.4515 6.5916 6.5916 6.7804 6.7804 6.9540 6.9540 7.1006 7.1006 7.1437 7.1437 7.5357 7.5357 7.6376 7.6376 8.3402 8.3402 8.3769 8.3769 8.8110 8.8110 9.0556 9.0556 11.9770 11.9770 12.1424 12.1424 12.4525 12.4525 13.0569 13.0569 k = 0.3644 0.3644-0.0000 ( 5292 PWs) bands (ev): 0.3205 0.3205 1.0732 1.0732 1.1026 1.1026 2.3645 2.3645 4.4716 4.4716 4.7017 4.7017 4.8712 4.8712 6.0473 6.0473 6.1176 6.1176 6.2480 6.2480 6.2778 6.2778 6.3822 6.3822 6.4464 6.4464 6.6182 6.6182 6.8040 6.8040 6.9628 6.9628 7.1060 7.1060 7.1779 7.1779 7.5441 7.5441 7.6588 7.6588 8.3760 8.3760 8.3844 8.3844 8.8935 8.8935 9.0885 9.0885 11.9747 11.9747 12.0862 12.0862 12.3889 12.3889 13.0338 13.0338 k = 0.3559 0.3559-0.0000 ( 5296 PWs) bands (ev): 0.2251 0.2251 1.0126 1.0126 1.0968 1.0968 2.4106 2.4106 4.4938 4.4938 4.7414 4.7414 4.9020 4.9020 6.0389 6.0389 6.0527 6.0527 6.2555 6.2555 6.2696 6.2696 6.3908 6.3908 6.4520 6.4520 6.6484 6.6484 6.8278 6.8278 6.9728 6.9728 7.1088 7.1088 7.2411 7.2411 7.5537 7.5537 7.6784 7.6784 8.3761 8.3761 8.4307 8.4307 8.9783 8.9783 9.1159 9.1159 11.9820 11.9820 12.0326 12.0326 12.3225 12.3225 13.0146 13.0146 k = 0.3475 0.3475-0.0000 ( 5300 PWs) bands (ev): 0.1283 0.1283 0.9524 0.9524 1.0897 1.0897 2.4594 2.4594 4.5184 4.5184 4.7833 4.7833 4.9354 4.9354 5.9759 5.9759 6.0328 6.0328 6.2446 6.2446 6.2680 6.2680 6.3925 6.3925 6.4640 6.4640 6.6791 6.6791 6.8506 6.8506 6.9829 6.9829 7.1104 7.1104 7.3321 7.3321 7.5652 7.5652 7.6965 7.6965 8.3757 8.3757 8.4806 8.4806 9.0649 9.0649 9.1393 9.1393 11.9671 11.9671 12.0113 12.0113 12.2534 12.2534 13.0012 13.0012 k = 0.3390 0.3390-0.0000 ( 5300 PWs) bands (ev): 0.0308 0.0308 0.8923 0.8923 1.0809 1.0809 2.5110 2.5110 4.5455 4.5455 4.8272 4.8272 4.9715 4.9715 5.9059 5.9059 6.0157 6.0157 6.2299 6.2299 6.2622 6.2622 6.3901 6.3901 6.4769 6.4769 6.7083 6.7083 6.8718 6.8718 6.9927 6.9927 7.1118 7.1118 7.4433 7.4433 7.5806 7.5806 7.7135 7.7135 8.3753 8.3753 8.5335 8.5335 9.1473 9.1473 9.1665 9.1665 11.9152 11.9152 12.0345 12.0345 12.1823 12.1823 12.9958 12.9958 k = 0.3305 0.3305-0.0000 ( 5284 PWs) bands (ev): -0.0670 -0.0670 0.8323 0.8323 1.0703 1.0703 2.5654 2.5654 4.5748 4.5748 4.8730 4.8730 5.0104 5.0104 5.8373 5.8373 5.9956 5.9956 6.2131 6.2131 6.2542 6.2542 6.3844 6.3844 6.4901 6.4901 6.7358 6.7358 6.8917 6.8917 7.0021 7.0021 7.1135 7.1135 7.5495 7.5495 7.6169 7.6169 7.7294 7.7294 8.3749 8.3749 8.5892 8.5892 9.1770 9.1770 9.2479 9.2479 11.8607 11.8607 12.0609 12.0609 12.1129 12.1129 13.0004 13.0004 k = 0.3220 0.3220-0.0000 ( 5292 PWs) bands (ev): -0.1645 -0.1645 0.7723 0.7723 1.0579 1.0579 2.6224 2.6224 4.6061 4.6061 4.9206 4.9206 5.0522 5.0522 5.7705 5.7705 5.9729 5.9729 6.1944 6.1944 6.2457 6.2457 6.3754 6.3754 6.5043 6.5043 6.7619 6.7619 6.9107 6.9107 7.0113 7.0113 7.1158 7.1158 7.5911 7.5911 7.7248 7.7248 7.7458 7.7458 8.3744 8.3744 8.6476 8.6476 9.2005 9.2005 9.3401 9.3401 11.8058 11.8058 12.0253 12.0253 12.1051 12.1051 13.0167 13.0167 k = 0.3136 0.3136-0.0000 ( 5296 PWs) bands (ev): -0.2614 -0.2614 0.7122 0.7122 1.0435 1.0435 2.6823 2.6823 4.6392 4.6392 4.9701 4.9701 5.0969 5.0969 5.7062 5.7062 5.9478 5.9478 6.1744 6.1744 6.2376 6.2376 6.3639 6.3639 6.5202 6.5202 6.7873 6.7873 6.9289 6.9289 7.0203 7.0203 7.1188 7.1188 7.6124 7.6124 7.7575 7.7575 7.8589 7.8589 8.3740 8.3740 8.7085 8.7085 9.2301 9.2301 9.4342 9.4342 11.7506 11.7506 11.9495 11.9495 12.1341 12.1341 13.0458 13.0458 k = 0.3051 0.3051-0.0000 ( 5293 PWs) bands (ev): -0.3572 -0.3572 0.6521 0.6521 1.0271 1.0271 2.7448 2.7448 4.6737 4.6737 5.0212 5.0212 5.1446 5.1446 5.6445 5.6445 5.9206 5.9206 6.1535 6.1535 6.2298 6.2298 6.3508 6.3508 6.5377 6.5377 6.8122 6.8122 6.9464 6.9464 7.0294 7.0294 7.1229 7.1229 7.6330 7.6330 7.7710 7.7710 7.9879 7.9879 8.3736 8.3736 8.7716 8.7716 9.2702 9.2702 9.5298 9.5298 11.6950 11.6950 11.8703 11.8703 12.1610 12.1610 13.0872 13.0872 k = 0.2966 0.2966-0.0000 ( 5301 PWs) bands (ev): -0.4519 -0.4519 0.5921 0.5921 1.0088 1.0088 2.8100 2.8100 4.7093 4.7093 5.0738 5.0738 5.1953 5.1953 5.5855 5.5855 5.8912 5.8912 6.1322 6.1322 6.2220 6.2220 6.3372 6.3372 6.5569 6.5569 6.8367 6.8367 6.9632 6.9632 7.0383 7.0383 7.1280 7.1280 7.6551 7.6551 7.7839 7.7839 8.1072 8.1072 8.3734 8.3734 8.8370 8.8370 9.3250 9.3250 9.6266 9.6266 11.6386 11.6386 11.7893 11.7893 12.1835 12.1835 13.1380 13.1380 k = 0.2881 0.2881-0.0000 ( 5289 PWs) bands (ev): -0.5450 -0.5450 0.5323 0.5323 0.9884 0.9884 2.8779 2.8779 4.7457 4.7457 5.1279 5.1279 5.2491 5.2491 5.5296 5.5296 5.8601 5.8601 6.1108 6.1108 6.2139 6.2139 6.3242 6.3242 6.5775 6.5775 6.8604 6.8604 6.9794 6.9794 7.0474 7.0474 7.1345 7.1345 7.6790 7.6790 7.7963 7.7963 8.2123 8.2123 8.3735 8.3735 8.9045 8.9045 9.3979 9.3979 9.7244 9.7244 11.5813 11.5813 11.7069 11.7069 12.2014 12.2014 13.1924 13.1924 k = 0.2797 0.2797-0.0000 ( 5289 PWs) bands (ev): -0.6365 -0.6365 0.4727 0.4727 0.9661 0.9661 2.9485 2.9485 4.7824 4.7824 5.1832 5.1832 5.3058 5.3058 5.4768 5.4768 5.8272 5.8272 6.0896 6.0896 6.2048 6.2048 6.3129 6.3129 6.5995 6.5995 6.8830 6.8830 6.9950 6.9950 7.0567 7.0567 7.1421 7.1421 7.7049 7.7049 7.8084 7.8084 8.3002 8.3002 8.3751 8.3751 8.9738 8.9738 9.4906 9.4906 9.8230 9.8230 11.5227 11.5227 11.6237 11.6237 12.2160 12.2160 13.2378 13.2378 k = 0.2712 0.2712-0.0000 ( 5283 PWs) bands (ev): -0.7262 -0.7262 0.4135 0.4135 0.9419 0.9419 3.0218 3.0218 4.8190 4.8190 5.2393 5.2393 5.3653 5.3653 5.4275 5.4275 5.7929 5.7929 6.0686 6.0686 6.1945 6.1945 6.3040 6.3040 6.6226 6.6226 6.9039 6.9039 7.0100 7.0100 7.0665 7.0665 7.1509 7.1509 7.7327 7.7327 7.8203 7.8203 8.3575 8.3575 8.3921 8.3921 9.0450 9.0450 9.6022 9.6022 9.9220 9.9220 11.4622 11.4622 11.5398 11.5398 12.2288 12.2288 13.2294 13.2295 k = 0.2627 0.2627-0.0000 ( 5283 PWs) bands (ev): -0.8139 -0.8139 0.3548 0.3548 0.9158 0.9158 3.0977 3.0977 4.8550 4.8550 5.2951 5.2951 5.3821 5.3821 5.4285 5.4285 5.7577 5.7577 6.0480 6.0480 6.1828 6.1828 6.2981 6.2981 6.6469 6.6469 6.9224 6.9224 7.0248 7.0248 7.0771 7.0771 7.1605 7.1605 7.7625 7.7625 7.8321 7.8321 8.3664 8.3664 8.4453 8.4453 9.1178 9.1178 9.7297 9.7297 10.0211 10.0211 11.3994 11.3994 11.4558 11.4558 12.2417 12.2417 13.1798 13.1798 k = 0.2542 0.2542-0.0000 ( 5281 PWs) bands (ev): -0.8995 -0.8995 0.2967 0.2967 0.8881 0.8881 3.1762 3.1762 4.8898 4.8898 5.3246 5.3246 5.3676 5.3676 5.4935 5.4935 5.7221 5.7221 6.0280 6.0280 6.1696 6.1696 6.2953 6.2953 6.6721 6.6721 6.9382 6.9382 7.0395 7.0395 7.0885 7.0885 7.1710 7.1710 7.7938 7.7938 7.8439 7.8439 8.3675 8.3675 8.4976 8.4976 9.1923 9.1923 9.8688 9.8688 10.1200 10.1200 11.3332 11.3332 11.3727 11.3727 12.2566 12.2566 13.1198 13.1199 k = 0.2458 0.2458-0.0000 ( 5281 PWs) bands (ev): -0.9829 -0.9829 0.2394 0.2394 0.8588 0.8588 3.2573 3.2573 4.9228 4.9228 5.2909 5.2909 5.4197 5.4197 5.5611 5.5611 5.6870 5.6870 6.0085 6.0085 6.1555 6.1555 6.2955 6.2955 6.6982 6.6982 6.9512 6.9512 7.0537 7.0537 7.1010 7.1010 7.1822 7.1822 7.8264 7.8264 7.8560 7.8560 8.3679 8.3679 8.5462 8.5462 9.2682 9.2682 10.0148 10.0148 10.2180 10.2180 11.2622 11.2622 11.2917 11.2917 12.2752 12.2752 13.0206 13.0206 k = 0.2373 0.2373-0.0000 ( 5281 PWs) bands (ev): -1.0641 -1.0641 0.1830 0.1830 0.8281 0.8281 3.3409 3.3409 4.9532 4.9532 5.2539 5.2539 5.4781 5.4781 5.6274 5.6274 5.6571 5.6571 5.9897 5.9897 6.1407 6.1407 6.2983 6.2983 6.7251 6.7251 6.9618 6.9618 7.0674 7.0674 7.1144 7.1144 7.1938 7.1938 7.8585 7.8585 7.8699 7.8699 8.3680 8.3680 8.5938 8.5938 9.3455 9.3455 10.1631 10.1631 10.3146 10.3146 11.1854 11.1854 11.2141 11.2141 12.2994 12.2994 12.9018 12.9018 k = 0.2288 0.2288-0.0000 ( 5285 PWs) bands (ev): -1.1429 -1.1429 0.1275 0.1275 0.7962 0.7962 3.4271 3.4271 4.9801 4.9801 5.2191 5.2191 5.5358 5.5358 5.6196 5.6196 5.7069 5.7069 5.9716 5.9716 6.1256 6.1256 6.3036 6.3036 6.7524 6.7524 6.9706 6.9706 7.0800 7.0800 7.1284 7.1284 7.2059 7.2059 7.8774 7.8774 7.8980 7.8980 8.3681 8.3681 8.6431 8.6431 9.4240 9.4240 10.3097 10.3097 10.4083 10.4083 11.1052 11.1052 11.1377 11.1377 12.3307 12.3307 12.7739 12.7739 k = 0.2203 0.2203-0.0000 ( 5279 PWs) bands (ev): -1.2193 -1.2193 0.0732 0.0732 0.7632 0.7632 3.5158 3.5158 5.0025 5.0025 5.1868 5.1868 5.5716 5.5716 5.6147 5.6147 5.7807 5.7807 5.9545 5.9545 6.1105 6.1105 6.3114 6.3114 6.7799 6.7799 6.9786 6.9786 7.0916 7.0916 7.1424 7.1424 7.2183 7.2183 7.8902 7.8902 7.9331 7.9331 8.3683 8.3683 8.6960 8.6960 9.5036 9.5036 10.4505 10.4505 10.4971 10.4971 11.0250 11.0250 11.0611 11.0611 12.3708 12.3708 12.6399 12.6399 k = 0.2119 0.2119-0.0000 ( 5265 PWs) bands (ev): -1.2932 -1.2932 0.0201 0.0201 0.7294 0.7294 3.6069 3.6069 5.0193 5.0193 5.1571 5.1571 5.5551 5.5551 5.6657 5.6657 5.8560 5.8560 5.9388 5.9388 6.0955 6.0955 6.3215 6.3215 6.8069 6.8069 6.9869 6.9869 7.1021 7.1021 7.1561 7.1561 7.2309 7.2309 7.9027 7.9027 7.9691 7.9691 8.3684 8.3684 8.7542 8.7542 9.5842 9.5842 10.5727 10.5727 10.5852 10.5852 10.9458 10.9458 10.9877 10.9877 12.4205 12.4205 12.5025 12.5025 k = 0.2034 0.2034-0.0000 ( 5253 PWs) bands (ev): -1.3646 -1.3646 -0.0316 -0.0316 0.6949 0.6949 3.7004 3.7004 5.0293 5.0293 5.1298 5.1298 5.5357 5.5357 5.7240 5.7240 5.9157 5.9157 5.9408 5.9408 6.0810 6.0810 6.3341 6.3341 6.8326 6.8326 6.9967 6.9967 7.1116 7.1116 7.1688 7.1688 7.2436 7.2436 7.9152 7.9152 8.0053 8.0053 8.3686 8.3686 8.8186 8.8186 9.6656 9.6656 10.6279 10.6279 10.7043 10.7043 10.8631 10.8631 10.9349 10.9349 12.3625 12.3625 12.4812 12.4812 k = 0.1949 0.1949-0.0000 ( 5257 PWs) bands (ev): -1.4334 -1.4334 -0.0819 -0.0819 0.6600 0.6600 3.7962 3.7962 5.0316 5.0316 5.1049 5.1049 5.5216 5.5216 5.7816 5.7816 5.9073 5.9073 6.0125 6.0125 6.0674 6.0674 6.3496 6.3496 6.8557 6.8557 7.0095 7.0095 7.1202 7.1202 7.1804 7.1804 7.2564 7.2564 7.9280 7.9280 8.0414 8.0414 8.3687 8.3687 8.8900 8.8900 9.7476 9.7476 10.6336 10.6336 10.7703 10.7703 10.8130 10.8130 10.9306 10.9306 12.2233 12.2233 12.5504 12.5504 k = 0.1864 0.1864-0.0000 ( 5255 PWs) bands (ev): -1.4995 -1.4995 -0.1306 -0.1306 0.6249 0.6249 3.8943 3.8943 5.0262 5.0262 5.0821 5.0821 5.5139 5.5139 5.8335 5.8335 5.9000 5.9000 6.0514 6.0514 6.0911 6.0911 6.3687 6.3687 6.8749 6.8749 7.0269 7.0269 7.1280 7.1280 7.1909 7.1909 7.2692 7.2692 7.9409 7.9409 8.0771 8.0771 8.3687 8.3687 8.9686 8.9686 9.8300 9.8300 10.5911 10.5911 10.6708 10.6708 10.9064 10.9064 10.9734 10.9734 12.0856 12.0856 12.6267 12.6267 k = 0.1780 0.1780-0.0000 ( 5259 PWs) bands (ev): -1.5629 -1.5629 -0.1778 -0.1778 0.5898 0.5898 3.9946 3.9946 5.0135 5.0135 5.0611 5.0611 5.5126 5.5126 5.8578 5.8578 5.9191 5.9191 6.0402 6.0402 6.1637 6.1637 6.3928 6.3928 6.8894 6.8894 7.0496 7.0496 7.1350 7.1350 7.2003 7.2003 7.2819 7.2819 7.9540 7.9540 8.1123 8.1123 8.3685 8.3685 9.0545 9.0545 9.9125 9.9125 10.5257 10.5257 10.5634 10.5634 10.9865 10.9865 11.0370 11.0370 11.9508 11.9508 12.7053 12.7053 k = 0.1695 0.1695-0.0000 ( 5257 PWs) bands (ev): -1.6237 -1.6237 -0.2232 -0.2232 0.5548 0.5548 4.0970 4.0970 4.9947 4.9947 5.0418 5.0418 5.5168 5.5168 5.8530 5.8530 5.9636 5.9636 6.0321 6.0321 6.2314 6.2314 6.4242 6.4242 6.8993 6.8993 7.0773 7.0773 7.1415 7.1415 7.2092 7.2092 7.2944 7.2944 7.9674 7.9674 8.1467 8.1467 8.3681 8.3681 9.1477 9.1477 9.9949 9.9949 10.4482 10.4482 10.4532 10.4532 11.0523 11.0523 11.1073 11.1073 11.8197 11.8197 12.7802 12.7802 k = 0.1610 0.1610-0.0000 ( 5261 PWs) bands (ev): -1.6816 -1.6816 -0.2668 -0.2668 0.5203 0.5203 4.2013 4.2013 4.9712 4.9712 5.0242 5.0242 5.5253 5.5253 5.8426 5.8426 5.9925 5.9925 6.0449 6.0449 6.2898 6.2898 6.4659 6.4659 6.9057 6.9057 7.1086 7.1086 7.1475 7.1475 7.2183 7.2183 7.3069 7.3069 7.9809 7.9809 8.1804 8.1804 8.3673 8.3673 9.2478 9.2478 10.0759 10.0759 10.3295 10.3295 10.3760 10.3760 11.1052 11.1052 11.1785 11.1785 11.6932 11.6932 12.8442 12.8442 k = 0.1525 0.1525-0.0000 ( 5259 PWs) bands (ev): -1.7368 -1.7368 -0.3086 -0.3086 0.4863 0.4863 4.3074 4.3074 4.9441 4.9441 5.0082 5.0082 5.5369 5.5369 5.8317 5.8317 5.9903 5.9903 6.0892 6.0892 6.3368 6.3368 6.5190 6.5190 6.9096 6.9096 7.1411 7.1411 7.1531 7.1531 7.2294 7.2294 7.3192 7.3192 7.9945 7.9945 8.2132 8.2132 8.3662 8.3662 9.3545 9.3545 10.1454 10.1454 10.2144 10.2144 10.3003 10.3003 11.1476 11.1476 11.2470 11.2470 11.5715 11.5715 12.8897 12.8897 k = 0.1441 0.1441-0.0000 ( 5255 PWs) bands (ev): -1.7892 -1.7892 -0.3485 -0.3485 0.4532 0.4532 4.4152 4.4152 4.9146 4.9146 4.9939 4.9939 5.5504 5.5504 5.8210 5.8210 5.9809 5.9809 6.1401 6.1401 6.3744 6.3744 6.5804 6.5804 6.9120 6.9120 7.1584 7.1584 7.1707 7.1707 7.2459 7.2459 7.3313 7.3313 8.0082 8.0082 8.2450 8.2450 8.3645 8.3645 9.4672 9.4672 10.0642 10.0642 10.2104 10.2104 10.2594 10.2594 11.1816 11.1816 11.3105 11.3105 11.4556 11.4556 12.8783 12.8783 k = 0.1356 0.1356-0.0000 ( 5265 PWs) bands (ev): -1.8387 -1.8387 -0.3864 -0.3864 0.4209 0.4209 4.5245 4.5245 4.8839 4.8839 4.9811 4.9811 5.5651 5.5651 5.8109 5.8109 5.9705 5.9705 6.1909 6.1909 6.4063 6.4063 6.6448 6.6448 6.9136 6.9136 7.1635 7.1635 7.1930 7.1930 7.2719 7.2719 7.3435 7.3435 8.0220 8.0220 8.2757 8.2757 8.3622 8.3622 9.5854 9.5854 9.9323 9.9323 10.1423 10.1423 10.3301 10.3301 11.2085 11.2085 11.3337 11.3337 11.3802 11.3802 12.8347 12.8347 k = 0.1271 0.1271-0.0000 ( 5257 PWs) bands (ev): -1.8853 -1.8853 -0.4222 -0.4222 0.3898 0.3898 4.6349 4.6349 4.8528 4.8528 4.9696 4.9696 5.5802 5.5802 5.8014 5.8014 5.9601 5.9601 6.2407 6.2407 6.4354 6.4354 6.7076 6.7076 6.9154 6.9154 7.1684 7.1684 7.2088 7.2088 7.3064 7.3064 7.3566 7.3566 8.0356 8.0356 8.3041 8.3041 8.3602 8.3602 9.7084 9.7084 9.7970 9.7970 10.0689 10.0689 10.4080 10.4080 11.2171 11.2171 11.2458 11.2458 11.4280 11.4280 12.7897 12.7897 k = 0.1186 0.1186-0.0000 ( 5249 PWs) bands (ev): -1.9291 -1.9291 -0.4560 -0.4560 0.3600 0.3600 4.7462 4.7462 4.8219 4.8219 4.9594 4.9594 5.5952 5.5952 5.7927 5.7927 5.9501 5.9501 6.2891 6.2891 6.4633 6.4633 6.7644 6.7644 6.9186 6.9186 7.1729 7.1729 7.2224 7.2224 7.3412 7.3412 7.3746 7.3746 8.0492 8.0492 8.3242 8.3242 8.3641 8.3641 9.6613 9.6613 9.8350 9.8350 9.9971 9.9971 10.4852 10.4852 11.1252 11.1252 11.2532 11.2532 11.4756 11.4756 12.7448 12.7448 k = 0.1102 0.1102-0.0000 ( 5245 PWs) bands (ev): -1.9699 -1.9699 -0.4876 -0.4876 0.3316 0.3316 4.7917 4.7917 4.8581 4.8581 4.9504 4.9504 5.6099 5.6099 5.7848 5.7848 5.9405 5.9405 6.3360 6.3360 6.4908 6.4908 6.8105 6.8105 6.9251 6.9251 7.1769 7.1769 7.2380 7.2380 7.3634 7.3634 7.4076 7.4076 8.0624 8.0624 8.3250 8.3250 8.3844 8.3844 9.5277 9.5277 9.9194 9.9194 9.9725 9.9725 10.5606 10.5606 11.0264 11.0264 11.2684 11.2684 11.5176 11.5176 12.7008 12.7008 k = 0.1017 0.1017-0.0000 ( 5253 PWs) bands (ev): -2.0077 -2.0077 -0.5170 -0.5170 0.3048 0.3048 4.7628 4.7628 4.9423 4.9423 4.9698 4.9698 5.6238 5.6238 5.7776 5.7776 5.9313 5.9313 6.3816 6.3816 6.5182 6.5182 6.8415 6.8415 6.9373 6.9373 7.1798 7.1798 7.2578 7.2578 7.3763 7.3763 7.4505 7.4505 8.0754 8.0754 8.3123 8.3123 8.4139 8.4139 9.3989 9.3989 9.8545 9.8545 10.1016 10.1016 10.6336 10.6336 10.9309 10.9309 11.2822 11.2822 11.5538 11.5538 12.6581 12.6581 k = 0.0932 0.0932-0.0000 ( 5245 PWs) bands (ev): -2.0426 -2.0426 -0.5442 -0.5442 0.2797 0.2797 4.7353 4.7353 4.9352 4.9352 5.0809 5.0809 5.6369 5.6369 5.7714 5.7714 5.9227 5.9227 6.4262 6.4262 6.5457 6.5457 6.8573 6.8573 6.9538 6.9538 7.1817 7.1817 7.2831 7.2831 7.3864 7.3864 7.4958 7.4958 8.0878 8.0878 8.2905 8.2905 8.4467 8.4467 9.2779 9.2779 9.7878 9.7878 10.2357 10.2357 10.7037 10.7037 10.8393 10.8393 11.2952 11.2952 11.5840 11.5840 12.6172 12.6172 k = 0.0847 0.0847-0.0000 ( 5245 PWs) bands (ev): -2.0745 -2.0745 -0.5692 -0.5692 0.2564 0.2564 4.7096 4.7096 4.9289 4.9289 5.1904 5.1904 5.6490 5.6490 5.7661 5.7661 5.9147 5.9147 6.4701 6.4701 6.5733 6.5733 6.8635 6.8635 6.9694 6.9694 7.1826 7.1826 7.3129 7.3129 7.3955 7.3955 7.5409 7.5409 8.0995 8.0995 8.2586 8.2586 8.4818 8.4818 9.1683 9.1683 9.7229 9.7229 10.3700 10.3700 10.7515 10.7515 10.7708 10.7708 11.3083 11.3083 11.6087 11.6087 12.5783 12.5783 k = 0.0763 0.0763-0.0000 ( 5245 PWs) bands (ev): -2.1035 -2.1035 -0.5918 -0.5918 0.2350 0.2350 4.6858 4.6858 4.9234 4.9234 5.2974 5.2974 5.6599 5.6599 5.7618 5.7618 5.9072 5.9072 6.5138 6.5138 6.6010 6.6010 6.8649 6.8649 6.9804 6.9804 7.1827 7.1827 7.3450 7.3450 7.4042 7.4042 7.5844 7.5844 8.1099 8.1099 8.2148 8.2148 8.5189 8.5189 9.0737 9.0737 9.6600 9.6600 10.5022 10.5022 10.6690 10.6690 10.8333 10.8333 11.3224 11.3224 11.6281 11.6281 12.5418 12.5418 k = 0.0678 0.0678-0.0000 ( 5253 PWs) bands (ev): -2.1294 -2.1294 -0.6122 -0.6122 0.2156 0.2156 4.6641 4.6641 4.9187 4.9187 5.4004 5.4004 5.6698 5.6698 5.7586 5.7586 5.9004 5.9004 6.5580 6.5580 6.6286 6.6286 6.8640 6.8640 6.9861 6.9861 7.1822 7.1822 7.3759 7.3759 7.4137 7.4137 7.6254 7.6254 8.1162 8.1162 8.1606 8.1606 8.5579 8.5579 8.9971 8.9971 9.5992 9.5992 10.5884 10.5884 10.6331 10.6331 10.8916 10.8916 11.3391 11.3391 11.6427 11.6427 12.5077 12.5077 k = 0.0593 0.0593-0.0000 ( 5253 PWs) bands (ev): -2.1523 -2.1523 -0.6302 -0.6302 0.1982 0.1982 4.6447 4.6447 4.9146 4.9146 5.4972 5.4972 5.6790 5.6790 5.7565 5.7565 5.8942 5.8942 6.6035 6.6035 6.6559 6.6559 6.8617 6.8617 6.9873 6.9873 7.1812 7.1812 7.3994 7.3994 7.4282 7.4282 7.6626 7.6626 8.0772 8.0772 8.1374 8.1374 8.5986 8.5986 8.9393 8.9393 9.5406 9.5406 10.5178 10.5178 10.7516 10.7516 10.9452 10.9452 11.3606 11.3606 11.6531 11.6531 12.4760 12.4760 k = 0.0508 0.0508-0.0000 ( 5241 PWs) bands (ev): -2.1722 -2.1722 -0.6459 -0.6459 0.1831 0.1831 4.6277 4.6277 4.9112 4.9112 5.5842 5.5842 5.6896 5.6896 5.7556 5.7556 5.8887 5.8887 6.6509 6.6509 6.6826 6.6826 6.8585 6.8585 6.9850 6.9850 7.1800 7.1800 7.4116 7.4116 7.4498 7.4498 7.6944 7.6944 7.9983 7.9983 8.1432 8.1432 8.6402 8.6402 8.8992 8.8992 9.4846 9.4846 10.4522 10.4522 10.8589 10.8589 10.9940 10.9940 11.3898 11.3898 11.6599 11.6599 12.4465 12.4465 k = 0.0424 0.0424-0.0000 ( 5247 PWs) bands (ev): -2.1890 -2.1890 -0.6592 -0.6592 0.1702 0.1702 4.6131 4.6131 4.9084 4.9084 5.6488 5.6488 5.7116 5.7116 5.7556 5.7556 5.8838 5.8838 6.7006 6.7006 6.7085 6.7085 6.8547 6.8547 6.9801 6.9801 7.1787 7.1787 7.4182 7.4182 7.4715 7.4715 7.7173 7.7173 7.9149 7.9149 8.1500 8.1500 8.6816 8.6816 8.8740 8.8740 9.4317 9.4317 10.3939 10.3939 10.9473 10.9473 11.0382 11.0382 11.4298 11.4298 11.6640 11.6640 12.4183 12.4184 k = 0.0339 0.0339-0.0000 ( 5243 PWs) bands (ev): -2.2028 -2.2028 -0.6700 -0.6700 0.1595 0.1595 4.6011 4.6011 4.9061 4.9061 5.6735 5.6735 5.7529 5.7529 5.7643 5.7643 5.8798 5.8798 6.7331 6.7331 6.7526 6.7526 6.8502 6.8502 6.9735 6.9735 7.1775 7.1775 7.4227 7.4227 7.4888 7.4888 7.7199 7.7199 7.8460 7.8460 8.1560 8.1560 8.7207 8.7207 8.8607 8.8607 9.3826 9.3826 10.3440 10.3440 11.0121 11.0121 11.0778 11.0778 11.4820 11.4820 11.6661 11.6661 12.3906 12.3906 k = 0.0254 0.0254-0.0000 ( 5247 PWs) bands (ev): -2.2135 -2.2135 -0.6785 -0.6785 0.1512 0.1512 4.5917 4.5917 4.9044 4.9044 5.6808 5.6808 5.7561 5.7561 5.8144 5.8144 5.8766 5.8766 6.7559 6.7559 6.8049 6.8049 6.8450 6.8450 6.9661 6.9661 7.1763 7.1763 7.4257 7.4257 7.4987 7.4987 7.6822 7.6822 7.8195 7.8195 8.1608 8.1608 8.7544 8.7544 8.8570 8.8570 9.3391 9.3391 10.3038 10.3038 11.0543 11.0543 11.1108 11.1108 11.5423 11.5423 11.6668 11.6668 12.3623 12.3623 k = 0.0169 0.0169-0.0000 ( 5229 PWs) bands (ev): -2.2211 -2.2211 -0.6846 -0.6846 0.1452 0.1452 4.5850 4.5850 4.9032 4.9032 5.6839 5.6839 5.7572 5.7572 5.8546 5.8546 5.8744 5.8744 6.7762 6.7762 6.8368 6.8368 6.8556 6.8556 6.9591 6.9591 7.1754 7.1754 7.4276 7.4276 7.4977 7.4977 7.6309 7.6309 7.8203 7.8203 8.1644 8.1644 8.7787 8.7787 8.8609 8.8609 9.3035 9.3035 10.2741 10.2741 11.0801 11.0801 11.1344 11.1344 11.6009 11.6009 11.6669 11.6669 12.3342 12.3342 k = 0.0085 0.0085-0.0000 ( 5227 PWs) bands (ev): -2.2257 -2.2257 -0.6882 -0.6882 0.1416 0.1416 4.5809 4.5809 4.9025 4.9025 5.6853 5.6853 5.7579 5.7579 5.8720 5.8720 5.8807 5.8807 6.7927 6.7927 6.8300 6.8300 6.8922 6.8922 6.9533 6.9533 7.1747 7.1747 7.4283 7.4283 7.4857 7.4857 7.5999 7.5999 7.8247 7.8247 8.1665 8.1665 8.7918 8.7918 8.8684 8.8684 9.2795 9.2795 10.2559 10.2559 11.0943 11.0943 11.1480 11.1480 11.6446 11.6446 11.6665 11.6665 12.3116 12.3116 k = 0.0000 0.0000 0.0000 ( 5235 PWs) bands (ev): -2.2273 -2.2273 -0.6894 -0.6894 0.1404 0.1404 4.5796 4.5796 4.9023 4.9023 5.6858 5.6858 5.7582 5.7582 5.8719 5.8719 5.8889 5.8889 6.8005 6.8005 6.8253 6.8253 6.9070 6.9070 6.9505 6.9505 7.1745 7.1745 7.4282 7.4282 7.4777 7.4777 7.5915 7.5915 7.8266 7.8266 8.1672 8.1672 8.7957 8.7957 8.8721 8.8721 9.2710 9.2710 10.2498 10.2498 11.0988 11.0988 11.1524 11.1524 11.6618 11.6618 11.6656 11.6656 12.3026 12.3026 k = 0.0000 0.0000 0.0000 ( 5235 PWs) bands (ev): -2.2273 -2.2273 -0.6894 -0.6894 0.1404 0.1404 4.5796 4.5796 4.9023 4.9023 5.6858 5.6858 5.7582 5.7582 5.8719 5.8719 5.8889 5.8889 6.8005 6.8005 6.8253 6.8253 6.9070 6.9070 6.9505 6.9505 7.1745 7.1745 7.4282 7.4282 7.4777 7.4777 7.5915 7.5915 7.8266 7.8266 8.1672 8.1672 8.7957 8.7957 8.8721 8.8721 9.2710 9.2710 10.2498 10.2498 11.0988 11.0988 11.1524 11.1524 11.6618 11.6618 11.6656 11.6656 12.3026 12.3026 k = 0.0000 0.0000 0.0115 ( 5223 PWs) bands (ev): -2.2265 -2.2265 -0.6945 -0.6945 0.1459 0.1459 4.5677 4.5677 4.9124 4.9124 5.6858 5.6858 5.7581 5.7581 5.8719 5.8719 5.8898 5.8898 6.7839 6.7839 6.8349 6.8349 6.9035 6.9035 6.9507 6.9507 7.1849 7.1849 7.4283 7.4283 7.4781 7.4781 7.5920 7.5920 7.8266 7.8266 8.1715 8.1715 8.7943 8.7943 8.8706 8.8706 9.2688 9.2688 10.2480 10.2480 11.1012 11.1012 11.1552 11.1552 11.6593 11.6593 11.6681 11.6681 12.3020 12.3020 k = 0.0000 0.0000 0.0231 ( 5223 PWs) bands (ev): -2.2242 -2.2242 -0.7090 -0.7090 0.1619 0.1619 4.5360 4.5360 4.9392 4.9392 5.6858 5.6858 5.7581 5.7581 5.8719 5.8719 5.8925 5.8925 6.7536 6.7536 6.8459 6.8459 6.8930 6.8930 6.9510 6.9510 7.2142 7.2142 7.4284 7.4284 7.4794 7.4794 7.5935 7.5935 7.8266 7.8266 8.1842 8.1842 8.7901 8.7901 8.8661 8.8661 9.2623 9.2623 10.2428 10.2428 11.1085 11.1085 11.1634 11.1634 11.6556 11.6556 11.6718 11.6718 12.3002 12.3002 k = 0.0000 0.0000 0.0346 ( 5227 PWs) bands (ev): -2.2204 -2.2204 -0.7319 -0.7319 0.1871 0.1871 4.4916 4.4916 4.9756 4.9756 5.6858 5.6858 5.7580 5.7580 5.8719 5.8719 5.8971 5.8971 6.7185 6.7185 6.8533 6.8533 6.8761 6.8761 6.9513 6.9513 7.2583 7.2583 7.4285 7.4285 7.4814 7.4814 7.5959 7.5959 7.8267 7.8267 8.2046 8.2046 8.7832 8.7832 8.8589 8.8589 9.2514 9.2514 10.2342 10.2342 11.1204 11.1204 11.1768 11.1768 11.6518 11.6518 11.6756 11.6756 12.2972 12.2972 k = 0.0000 0.0000 0.0461 ( 5223 PWs) bands (ev): -2.2153 -2.2153 -0.7613 -0.7613 0.2196 0.2196 4.4400 4.4400 5.0163 5.0163 5.6858 5.6858 5.7578 5.7578 5.8719 5.8719 5.9035 5.9035 6.6816 6.6816 6.8537 6.8537 6.8581 6.8581 6.9519 6.9519 7.3132 7.3132 7.4288 7.4288 7.4843 7.4843 7.5993 7.5993 7.8268 7.8268 8.2319 8.2319 8.7738 8.7738 8.8491 8.8491 9.2363 9.2363 10.2224 10.2224 11.1366 11.1366 11.1951 11.1951 11.6481 11.6481 11.6794 11.6794 12.2930 12.2930 k = 0.0000 0.0000 0.0577 ( 5215 PWs) bands (ev): -2.2087 -2.2087 -0.7955 -0.7955 0.2577 0.2577 4.3845 4.3845 5.0583 5.0583 5.6859 5.6859 5.7576 5.7576 5.8719 5.8719 5.9117 5.9117 6.6445 6.6445 6.8265 6.8265 6.8615 6.8615 6.9526 6.9526 7.3757 7.3757 7.4290 7.4290 7.4878 7.4878 7.6034 7.6034 7.8270 7.8270 8.2652 8.2652 8.7623 8.7623 8.8370 8.8370 9.2170 9.2170 10.2075 10.2075 11.1568 11.1568 11.2180 11.2180 11.6445 11.6445 11.6830 11.6830 12.2875 12.2875 k = 0.0000 0.0000 0.0692 ( 5223 PWs) bands (ev): -2.2010 -2.2010 -0.8328 -0.8328 0.2995 0.2995 4.3273 4.3273 5.0998 5.0998 5.6859 5.6859 5.7575 5.7575 5.8719 5.8719 5.9217 5.9217 6.6082 6.6082 6.7956 6.7956 6.8638 6.8638 6.9533 6.9533 7.4293 7.4293 7.4435 7.4435 7.4921 7.4921 7.6084 7.6084 7.8272 7.8272 8.3031 8.3031 8.7490 8.7490 8.8232 8.8232 9.1935 9.1935 10.1897 10.1897 11.1806 11.1806 11.2449 11.2449 11.6411 11.6411 11.6866 11.6866 12.2807 12.2807 k = 0.0000 0.0000 0.0807 ( 5227 PWs) bands (ev): -2.1922 -2.1922 -0.8719 -0.8719 0.3435 0.3435 4.2699 4.2699 5.1398 5.1398 5.6858 5.6858 5.7573 5.7573 5.8719 5.8719 5.9333 5.9333 6.5736 6.5736 6.7619 6.7619 6.8657 6.8657 6.9541 6.9541 7.4295 7.4295 7.4969 7.4969 7.5153 7.5153 7.6139 7.6139 7.8276 7.8276 8.3446 8.3446 8.7343 8.7343 8.8079 8.8079 9.1660 9.1660 10.1695 10.1695 11.2073 11.2073 11.2752 11.2752 11.6379 11.6379 11.6899 11.6899 12.2727 12.2727 k = 0.0000 0.0000 0.0923 ( 5219 PWs) bands (ev): -2.1825 -2.1825 -0.9115 -0.9115 0.3882 0.3882 4.2135 4.2135 5.1777 5.1777 5.6859 5.6859 5.7572 5.7572 5.8719 5.8719 5.9465 5.9465 6.5409 6.5409 6.7264 6.7264 6.8671 6.8671 6.9550 6.9550 7.4298 7.4298 7.5021 7.5021 7.5895 7.5895 7.6201 7.6201 7.8282 7.8282 8.3884 8.3884 8.7186 8.7186 8.7917 8.7917 9.1347 9.1347 10.1471 10.1471 11.2362 11.2362 11.3083 11.3083 11.6349 11.6349 11.6930 11.6930 12.2635 12.2635 k = 0.0000 0.0000 0.1038 ( 5219 PWs) bands (ev): -2.1722 -2.1722 -0.9505 -0.9505 0.4326 0.4326 4.1590 4.1590 5.2130 5.2130 5.6857 5.6857 5.7570 5.7570 5.8719 5.8719 5.9611 5.9611 6.5106 6.5106 6.6899 6.6899 6.8684 6.8684 6.9559 6.9559 7.4300 7.4300 7.5077 7.5077 7.6260 7.6260 7.6655 7.6655 7.8294 7.8294 8.4335 8.4335 8.7025 8.7025 8.7751 8.7751 9.0998 9.0998 10.1231 10.1231 11.2668 11.2668 11.3433 11.3433 11.6321 11.6321 11.6959 11.6959 12.2532 12.2532 k = 0.0000 0.0000 0.1153 ( 5235 PWs) bands (ev): -2.1616 -2.1616 -0.9881 -0.9881 0.4754 0.4754 4.1074 4.1074 5.2454 5.2454 5.6855 5.6855 5.7568 5.7568 5.8719 5.8719 5.9769 5.9769 6.4829 6.4829 6.6531 6.6531 6.8695 6.8695 6.9568 6.9568 7.4302 7.4302 7.5133 7.5133 7.6326 7.6326 7.7398 7.7398 7.8323 7.8323 8.4785 8.4785 8.6864 8.6864 8.7586 8.7586 9.0615 9.0615 10.0980 10.0980 11.2982 11.2982 11.3793 11.3793 11.6297 11.6297 11.6985 11.6985 12.2420 12.2420 k = 0.0000 0.0000 0.1269 ( 5223 PWs) bands (ev): -2.1508 -2.1508 -1.0235 -1.0235 0.5158 0.5158 4.0594 4.0594 5.2747 5.2747 5.6854 5.6854 5.7567 5.7567 5.8719 5.8719 5.9937 5.9937 6.4578 6.4578 6.6169 6.6169 6.8705 6.8705 6.9577 6.9577 7.4305 7.4305 7.5190 7.5190 7.6391 7.6391 7.8009 7.8009 7.8483 7.8483 8.5225 8.5225 8.6708 8.6708 8.7426 8.7426 9.0205 9.0205 10.0726 10.0726 11.3295 11.3295 11.4155 11.4155 11.6276 11.6276 11.7009 11.7009 12.2301 12.2301 k = 0.0000 0.0000 0.1384 ( 5215 PWs) bands (ev): -2.1403 -2.1403 -1.0559 -1.0559 0.5528 0.5528 4.0158 4.0158 5.3006 5.3006 5.6852 5.6852 5.7566 5.7566 5.8720 5.8720 6.0110 6.0110 6.4357 6.4357 6.5821 6.5821 6.8713 6.8713 6.9585 6.9585 7.4306 7.4306 7.5244 7.5244 7.6453 7.6453 7.8189 7.8189 7.9059 7.9059 8.5642 8.5642 8.6561 8.6561 8.7277 8.7277 8.9773 8.9773 10.0476 10.0476 11.3598 11.3598 11.4508 11.4508 11.6260 11.6260 11.7029 11.7029 12.2178 12.2178 k = 0.0000 0.0000 0.1499 ( 5215 PWs) bands (ev): -2.1305 -2.1305 -1.0847 -1.0847 0.5857 0.5857 3.9775 3.9775 5.3229 5.3229 5.6851 5.6851 5.7566 5.7566 5.8720 5.8720 6.0283 6.0283 6.4166 6.4166 6.5494 6.5494 6.8720 6.8720 6.9592 6.9592 7.4308 7.4308 7.5295 7.5295 7.6510 7.6510 7.8222 7.8222 7.9752 7.9752 8.6024 8.6024 8.6428 8.6428 8.7142 8.7142 8.9331 8.9331 10.0240 10.0240 11.3881 11.3881 11.4839 11.4839 11.6248 11.6248 11.7046 11.7046 12.2057 12.2057 k = 0.0000 0.0000 0.1615 ( 5223 PWs) bands (ev): -2.1218 -2.1218 -1.1093 -1.1093 0.6136 0.6136 3.9451 3.9451 5.3414 5.3414 5.6849 5.6849 5.7566 5.7566 5.8720 5.8720 6.0449 6.0449 6.4006 6.4006 6.5199 6.5199 6.8726 6.8726 6.9598 6.9598 7.4308 7.4308 7.5339 7.5339 7.6560 7.6560 7.8234 7.8234 8.0415 8.0415 8.6313 8.6313 8.6359 8.6359 8.7026 8.7026 8.8894 8.8894 10.0027 10.0027 11.4134 11.4134 11.5134 11.5134 11.6243 11.6243 11.7059 11.7059 12.1944 12.1944 k = 0.0000 0.0000 0.1730 ( 5226 PWs) bands (ev): -2.1144 -2.1144 -1.1291 -1.1291 0.6361 0.6361 3.9191 3.9191 5.3560 5.3560 5.6848 5.6848 5.7566 5.7566 5.8720 5.8720 6.0598 6.0598 6.3881 6.3881 6.4948 6.4948 6.8731 6.8731 6.9603 6.9603 7.4309 7.4309 7.5375 7.5375 7.6602 7.6602 7.8240 7.8240 8.1006 8.1006 8.6219 8.6219 8.6634 8.6634 8.6933 8.6933 8.8485 8.8485 9.9848 9.9848 11.4346 11.4346 11.5379 11.5379 11.6245 11.6245 11.7069 11.7069 12.1845 12.1845 k = 0.0000 0.0000 0.1846 ( 5218 PWs) bands (ev): -2.1089 -2.1089 -1.1436 -1.1436 0.6525 0.6525 3.9002 3.9002 5.3666 5.3666 5.6847 5.6847 5.7567 5.7567 5.8720 5.8720 6.0718 6.0718 6.3790 6.3790 6.4753 6.4753 6.8734 6.8734 6.9607 6.9607 7.4310 7.4310 7.5402 7.5402 7.6633 7.6633 7.8243 7.8243 8.1485 8.1485 8.6150 8.6150 8.6826 8.6826 8.6878 8.6878 8.8140 8.8140 9.9711 9.9711 11.4506 11.4506 11.5559 11.5559 11.6254 11.6254 11.7075 11.7075 12.1768 12.1768 k = 0.0000 0.0000 0.1961 ( 5218 PWs) bands (ev): -2.1054 -2.1054 -1.1525 -1.1525 0.6626 0.6626 3.8887 3.8887 5.3730 5.3730 5.6847 5.6847 5.7568 5.7568 5.8720 5.8720 6.0798 6.0798 6.3734 6.3734 6.4629 6.4629 6.8736 6.8736 6.9609 6.9609 7.4310 7.4310 7.5419 7.5419 7.6652 7.6652 7.8245 7.8245 8.1804 8.1804 8.6107 8.6107 8.6815 8.6815 8.6974 8.6974 8.7902 8.7902 9.9625 9.9625 11.4606 11.4606 11.5668 11.5668 11.6266 11.6266 11.7078 11.7078 12.1718 12.1718 k = 0.0000 0.0000 0.2076 ( 5214 PWs) bands (ev): -2.1043 -2.1043 -1.1555 -1.1555 0.6659 0.6659 3.8849 3.8849 5.3751 5.3751 5.6846 5.6846 5.7568 5.7568 5.8720 5.8720 6.0825 6.0825 6.3716 6.3716 6.4587 6.4587 6.8737 6.8737 6.9610 6.9610 7.4310 7.4310 7.5425 7.5425 7.6658 7.6658 7.8245 7.8245 8.1917 8.1917 8.6093 8.6093 8.6802 8.6802 8.7016 8.7016 8.7817 8.7817 9.9596 9.9596 11.4640 11.4640 11.5703 11.5703 11.6272 11.6272 11.7079 11.7079 12.1701 12.1701 k = 0.0000 0.0000 0.2076 ( 5214 PWs) bands (ev): -2.1043 -2.1043 -1.1555 -1.1555 0.6659 0.6659 3.8849 3.8849 5.3751 5.3751 5.6846 5.6846 5.7568 5.7568 5.8720 5.8720 6.0825 6.0825 6.3716 6.3716 6.4587 6.4587 6.8737 6.8737 6.9610 6.9610 7.4310 7.4310 7.5425 7.5425 7.6658 7.6658 7.8245 7.8245 8.1917 8.1917 8.6093 8.6093 8.6802 8.6802 8.7016 8.7016 8.7817 8.7817 9.9596 9.9596 11.4640 11.4640 11.5703 11.5703 11.6272 11.6272 11.7079 11.7079 12.1701 12.1701 k = 0.0000 0.0119 0.2076 ( 5218 PWs) bands (ev): -2.1028 -2.1028 -1.1541 -1.1541 0.6668 0.6668 3.8863 3.8863 5.3756 5.3756 5.6842 5.6842 5.7563 5.7563 5.8724 5.8724 6.0688 6.0688 6.3719 6.3719 6.4573 6.4573 6.8733 6.8733 6.9605 6.9605 7.4305 7.4305 7.5466 7.5466 7.6692 7.6692 7.8215 7.8215 8.1952 8.1952 8.5968 8.5968 8.6646 8.6646 8.7233 8.7233 8.7876 8.7876 9.9601 9.9601 11.4432 11.4432 11.5520 11.5520 11.6133 11.6133 11.7501 11.7501 12.1727 12.1727 k = 0.0000 0.0238 0.2076 ( 5230 PWs) bands (ev): -2.0984 -2.0984 -1.1499 -1.1499 0.6694 0.6694 3.8905 3.8905 5.3771 5.3771 5.6830 5.6830 5.7550 5.7550 5.8738 5.8738 6.0287 6.0287 6.3727 6.3727 6.4533 6.4533 6.8721 6.8721 6.9589 6.9589 7.4290 7.4290 7.5580 7.5580 7.6797 7.6797 7.8123 7.8123 8.2058 8.2058 8.5596 8.5596 8.6605 8.6605 8.7422 8.7422 8.8086 8.8086 9.9617 9.9617 11.3825 11.3825 11.5328 11.5328 11.5852 11.5852 11.8274 11.8274 12.1738 12.1738 k = 0.0000 0.0357 0.2076 ( 5228 PWs) bands (ev): -2.0910 -2.0910 -1.1430 -1.1430 0.6736 0.6736 3.8975 3.8975 5.3796 5.3796 5.6808 5.6808 5.7530 5.7530 5.8760 5.8760 5.9649 5.9649 6.3741 6.3741 6.4466 6.4466 6.8701 6.8701 6.9563 6.9563 7.4267 7.4267 7.5738 7.5738 7.6972 7.6972 7.7978 7.7978 8.2230 8.2230 8.5088 8.5088 8.6679 8.6679 8.7498 8.7498 8.8419 8.8419 9.9642 9.9642 11.3009 11.3009 11.5200 11.5200 11.5494 11.5494 11.9115 11.9115 12.1620 12.1620 k = 0.0000 0.0476 0.2076 ( 5236 PWs) bands (ev): -2.0807 -2.0807 -1.1332 -1.1332 0.6796 0.6796 3.9072 3.9072 5.3831 5.3831 5.6773 5.6773 5.7506 5.7506 5.8787 5.8787 5.8815 5.8815 6.3759 6.3759 6.4376 6.4376 6.8674 6.8674 6.9527 6.9527 7.4236 7.4236 7.5916 7.5916 7.7211 7.7211 7.7785 7.7785 8.2459 8.2459 8.4513 8.4513 8.6809 8.6809 8.7523 8.7523 8.8798 8.8798 9.9675 9.9675 11.2123 11.2123 11.4887 11.4887 11.5285 11.5285 11.9958 11.9958 12.1361 12.1361 k = 0.0000 0.0595 0.2076 ( 5238 PWs) bands (ev): -2.0674 -2.0674 -1.1208 -1.1208 0.6872 0.6872 3.9196 3.9196 5.3875 5.3875 5.6719 5.6719 5.7480 5.7480 5.7813 5.7813 5.8832 5.8832 6.3772 6.3772 6.4267 6.4267 6.8639 6.8639 6.9482 6.9482 7.4197 7.4197 7.6100 7.6100 7.7453 7.7453 7.7598 7.7598 8.2731 8.2731 8.3895 8.3895 8.6971 8.6971 8.7530 8.7530 8.9190 8.9190 9.9715 9.9715 11.1212 11.1212 11.4389 11.4389 11.5240 11.5240 12.0703 12.0703 12.1086 12.1086 k = 0.0000 0.0714 0.2076 ( 5246 PWs) bands (ev): -2.0512 -2.0512 -1.1055 -1.1055 0.6964 0.6964 3.9347 3.9347 5.3927 5.3927 5.6541 5.6541 5.6786 5.6786 5.7463 5.7463 5.8880 5.8880 6.3763 6.3763 6.4156 6.4156 6.8597 6.8597 6.9428 6.9428 7.4149 7.4149 7.6289 7.6289 7.7249 7.7249 7.7853 7.7853 8.3003 8.3003 8.3269 8.3269 8.7149 8.7149 8.7528 8.7528 8.9590 8.9590 9.9762 9.9762 11.0297 11.0297 11.3851 11.3851 11.5241 11.5241 12.0504 12.0504 12.1668 12.1668 k = 0.0000 0.0833 0.2076 ( 5248 PWs) bands (ev): -2.0321 -2.0321 -1.0876 -1.0876 0.7072 0.7072 3.9523 3.9523 5.3986 5.3986 5.5409 5.5409 5.6598 5.6598 5.7448 5.7448 5.8937 5.8937 6.3688 6.3688 6.4087 6.4087 6.8548 6.8548 6.9366 6.9366 7.4093 7.4093 7.6485 7.6485 7.6948 7.6948 7.8195 7.8195 8.2532 8.2532 8.3366 8.3366 8.7310 8.7310 8.7542 8.7542 8.9996 8.9996 9.9816 9.9816 10.9385 10.9385 11.3307 11.3307 11.5279 11.5279 12.0049 12.0049 12.2441 12.2441 k = 0.0000 0.0952 0.2076 ( 5260 PWs) bands (ev): -2.0100 -2.0100 -1.0669 -1.0669 0.7195 0.7195 3.9722 3.9722 5.4024 5.4024 5.4125 5.4125 5.6489 5.6489 5.7440 5.7440 5.9002 5.9002 6.3523 6.3523 6.4081 6.4081 6.8492 6.8492 6.9296 6.9296 7.4028 7.4028 7.6598 7.6598 7.6716 7.6716 7.8550 7.8550 8.1829 8.1829 8.3659 8.3659 8.7364 8.7364 8.7651 8.7651 9.0410 9.0410 9.9879 9.9879 10.8483 10.8483 11.2771 11.2771 11.5358 11.5358 11.9571 11.9571 12.3187 12.3187 k = 0.0000 0.1071 0.2076 ( 5260 PWs) bands (ev): -1.9851 -1.9851 -1.0436 -1.0436 0.7332 0.7332 3.9942 3.9942 5.2723 5.2723 5.4123 5.4123 5.6365 5.6365 5.7440 5.7440 5.9074 5.9074 6.3293 6.3293 6.4114 6.4114 6.8429 6.8429 6.9221 6.9221 7.3955 7.3955 7.6264 7.6264 7.6929 7.6929 7.8909 7.8909 8.1106 8.1106 8.3923 8.3923 8.7324 8.7324 8.7834 8.7834 9.0833 9.0833 9.9956 9.9956 10.7594 10.7594 11.2255 11.2255 11.5485 11.5485 11.9095 11.9095 12.3894 12.3894 k = 0.0000 0.1190 0.2076 ( 5256 PWs) bands (ev): -1.9571 -1.9571 -1.0177 -1.0177 0.7482 0.7482 4.0179 4.0179 5.1310 5.1310 5.4194 5.4194 5.6225 5.6225 5.7448 5.7448 5.9155 5.9155 6.3019 6.3019 6.4163 6.4163 6.8357 6.8357 6.9140 6.9140 7.3872 7.3872 7.5902 7.5902 7.7171 7.7171 7.9272 7.9272 8.0373 8.0373 8.4134 8.4134 8.7242 8.7242 8.8027 8.8027 9.1269 9.1269 10.0053 10.0053 10.6723 10.6723 11.1766 11.1766 11.5663 11.5663 11.8637 11.8637 12.4557 12.4557 k = 0.0000 0.1310 0.2076 ( 5252 PWs) bands (ev): -1.9263 -1.9263 -0.9891 -0.9891 0.7646 0.7646 4.0426 4.0426 4.9874 4.9874 5.4263 5.4263 5.6070 5.6070 5.7462 5.7462 5.9241 5.9241 6.2710 6.2710 6.4221 6.4221 6.8277 6.8277 6.9056 6.9056 7.3780 7.3780 7.5532 7.5532 7.7433 7.7433 7.9605 7.9605 7.9673 7.9673 8.4275 8.4275 8.7130 8.7130 8.8212 8.8212 9.1717 9.1717 10.0176 10.0176 10.5872 10.5872 11.1310 11.1310 11.5894 11.5894 11.8210 11.8210 12.5172 12.5172 k = 0.0000 0.1429 0.2076 ( 5256 PWs) bands (ev): -1.8926 -1.8926 -0.9579 -0.9579 0.7820 0.7820 4.0671 4.0671 4.8437 4.8437 5.4327 5.4327 5.5902 5.5902 5.7483 5.7483 5.9334 5.9334 6.2372 6.2372 6.4283 6.4283 6.8187 6.8187 6.8970 6.8970 7.3677 7.3677 7.5155 7.5155 7.7713 7.7713 7.8907 7.8907 8.0016 8.0016 8.4333 8.4333 8.6984 8.6984 8.8382 8.8382 9.2179 9.2179 10.0336 10.0336 10.5044 10.5044 11.0892 11.0892 11.6177 11.6177 11.7827 11.7827 12.5738 12.5738 k = 0.0000 0.1548 0.2076 ( 5252 PWs) bands (ev): -1.8560 -1.8560 -0.9243 -0.9243 0.8005 0.8005 4.0885 4.0885 4.7035 4.7035 5.4380 5.4380 5.5722 5.5722 5.7507 5.7507 5.9432 5.9432 6.2014 6.2014 6.4347 6.4347 6.8087 6.8087 6.8884 6.8884 7.3563 7.3563 7.4779 7.4779 7.7991 7.7991 7.8212 7.8212 8.0396 8.0396 8.4302 8.4302 8.6804 8.6804 8.8531 8.8531 9.2654 9.2654 10.0539 10.0539 10.4241 10.4241 11.0516 11.0516 11.6503 11.6503 11.7504 11.7504 12.6253 12.6253 k = 0.0000 0.1667 0.2076 ( 5266 PWs) bands (ev): -1.8165 -1.8165 -0.8881 -0.8881 0.8199 0.8199 4.1005 4.1005 4.5736 4.5736 5.4414 5.4414 5.5534 5.5534 5.7535 5.7535 5.9533 5.9533 6.1642 6.1642 6.4413 6.4413 6.7974 6.7974 6.8798 6.8798 7.3436 7.3436 7.4404 7.4404 7.7477 7.7477 7.8345 7.8345 8.0783 8.0783 8.4180 8.4180 8.6586 8.6586 8.8656 8.8656 9.3143 9.3143 10.0791 10.0791 10.3467 10.3467 11.0184 11.0184 11.6818 11.6818 11.7296 11.7296 12.6714 12.6714 k = 0.0000 0.1786 0.2076 ( 5254 PWs) bands (ev): -1.7741 -1.7741 -0.8495 -0.8495 0.8400 0.8400 4.0884 4.0884 4.4692 4.4692 5.4419 5.4419 5.5339 5.5339 5.7567 5.7567 5.9632 5.9632 6.1273 6.1273 6.4477 6.4477 6.7850 6.7850 6.8716 6.8716 7.3291 7.3291 7.4040 7.4040 7.6802 7.6802 7.8680 7.8680 8.1174 8.1174 8.3970 8.3970 8.6327 8.6327 8.8754 8.8754 9.3644 9.3644 10.1092 10.1092 10.2729 10.2729 10.9897 10.9897 11.6863 11.6863 11.7468 11.7468 12.7098 12.7098 k = 0.0000 0.1905 0.2076 ( 5254 PWs) bands (ev): -1.7288 -1.7288 -0.8086 -0.8086 0.8607 0.8607 4.0303 4.0303 4.4126 4.4126 5.4383 5.4383 5.5141 5.5141 5.7601 5.7601 5.9719 5.9719 6.0928 6.0928 6.4541 6.4541 6.7713 6.7713 6.8637 6.8637 7.3120 7.3120 7.3696 7.3696 7.6154 7.6154 7.9033 7.9033 8.1561 8.1561 8.3687 8.3687 8.6027 8.6027 8.8823 8.8823 9.4155 9.4155 10.1405 10.1405 10.2069 10.2069 10.9656 10.9656 11.6752 11.6752 11.7904 11.7904 12.6682 12.6682 k = 0.0000 0.2024 0.2076 ( 5262 PWs) bands (ev): -1.6807 -1.6807 -0.7653 -0.7653 0.8818 0.8818 3.9248 3.9248 4.4054 4.4054 5.4294 5.4294 5.4939 5.4939 5.7636 5.7636 5.9769 5.9769 6.0648 6.0648 6.4601 6.4601 6.7564 6.7564 6.8561 6.8561 7.2905 7.2905 7.3389 7.3389 7.5536 7.5536 7.9402 7.9402 8.1918 8.1918 8.3366 8.3366 8.5685 8.5685 8.8864 8.8864 9.4675 9.4675 10.1215 10.1215 10.2004 10.2004 10.9461 10.9461 11.6679 11.6679 11.8407 11.8407 12.5674 12.5674 k = 0.0000 0.2143 0.2076 ( 5262 PWs) bands (ev): -1.6297 -1.6297 -0.7198 -0.7198 0.9031 0.9031 3.7929 3.7929 4.4271 4.4271 5.4145 5.4145 5.4726 5.4726 5.7674 5.7674 5.9735 5.9735 6.0498 6.0498 6.4657 6.4657 6.7405 6.7405 6.8489 6.8489 7.2635 7.2635 7.3134 7.3134 7.4952 7.4952 7.9783 7.9783 8.2130 8.2130 8.3133 8.3133 8.5300 8.5300 8.8875 8.8875 9.5201 9.5201 10.0609 10.0609 10.2448 10.2448 10.9309 10.9309 11.6672 11.6672 11.8947 11.8947 12.4641 12.4641 k = 0.0000 0.2262 0.2076 ( 5268 PWs) bands (ev): -1.5759 -1.5759 -0.6722 -0.6722 0.9244 0.9244 3.6492 3.6492 4.4629 4.4629 5.3937 5.3937 5.4487 5.4487 5.7715 5.7715 5.9614 5.9614 6.0498 6.0498 6.4706 6.4706 6.7238 6.7238 6.8422 6.8422 7.2320 7.2320 7.2920 7.2920 7.4403 7.4403 8.0170 8.0170 8.1956 8.1956 8.3244 8.3244 8.4873 8.4873 8.8857 8.8857 9.5730 9.5730 10.0008 10.0008 10.2982 10.2982 10.9198 10.9198 11.6735 11.6735 11.9513 11.9513 12.3612 12.3612 k = 0.0000 0.2381 0.2076 ( 5264 PWs) bands (ev): -1.5193 -1.5193 -0.6224 -0.6224 0.9454 0.9454 3.5003 3.5003 4.5065 4.5065 5.3672 5.3672 5.4212 5.4212 5.7762 5.7762 5.9478 5.9478 6.0587 6.0587 6.4748 6.4748 6.7066 6.7066 6.8359 6.8359 7.1986 7.1986 7.2724 7.2724 7.3891 7.3891 8.0543 8.0543 8.1521 8.1521 8.3598 8.3598 8.4409 8.4409 8.8813 8.8813 9.6256 9.6256 9.9441 9.9441 10.3575 10.3575 10.9123 10.9123 11.6870 11.6870 12.0098 12.0098 12.2604 12.2604 k = 0.0000 0.2500 0.2076 ( 5262 PWs) bands (ev): -1.4599 -1.4599 -0.5707 -0.5707 0.9659 0.9659 3.3491 3.3491 4.5549 4.5549 5.3347 5.3347 5.3907 5.3907 5.7816 5.7816 5.9379 5.9379 6.0716 6.0716 6.4777 6.4777 6.6895 6.6895 6.8301 6.8301 7.1645 7.1645 7.2529 7.2529 7.3417 7.3417 8.0687 8.0687 8.1217 8.1217 8.3867 8.3867 8.4070 8.4070 8.8744 8.8744 9.6774 9.6774 9.8917 9.8917 10.4219 10.4219 10.9079 10.9079 11.7075 11.7075 12.0677 12.0677 12.1648 12.1648 k = 0.0000 0.2619 0.2076 ( 5262 PWs) bands (ev): -1.3977 -1.3977 -0.5171 -0.5171 0.9856 0.9856 3.1972 3.1972 4.6067 4.6067 5.2950 5.2950 5.3592 5.3592 5.7880 5.7880 5.9329 5.9329 6.0866 6.0866 6.4791 6.4791 6.6728 6.6728 6.8247 6.8247 7.1304 7.1304 7.2328 7.2328 7.2983 7.2983 8.0206 8.0206 8.1485 8.1485 8.3363 8.3363 8.4508 8.4508 8.8653 8.8653 9.7274 9.7274 9.8445 9.8445 10.4911 10.4911 10.9059 10.9059 11.7346 11.7346 12.0600 12.0600 12.1405 12.1405 k = 0.0000 0.2738 0.2076 ( 5278 PWs) bands (ev): -1.3327 -1.3327 -0.4617 -0.4617 1.0042 1.0042 3.0452 3.0452 4.6607 4.6607 5.2482 5.2482 5.3284 5.3284 5.7956 5.7956 5.9328 5.9328 6.1028 6.1028 6.4783 6.4783 6.6573 6.6573 6.8196 6.8196 7.0967 7.0967 7.2112 7.2112 7.2593 7.2593 7.9585 7.9585 8.1824 8.1824 8.2845 8.2845 8.4989 8.4989 8.8543 8.8543 9.7698 9.7698 9.8079 9.8079 10.5646 10.5646 10.9057 10.9057 11.7673 11.7673 11.9759 11.9759 12.1995 12.1995 k = 0.0000 0.2857 0.2076 ( 5276 PWs) bands (ev): -1.2650 -1.2650 -0.4047 -0.4047 1.0214 1.0214 2.8938 2.8938 4.7162 4.7162 5.1958 5.1958 5.2991 5.2991 5.8042 5.8042 5.9367 5.9367 6.1200 6.1200 6.4747 6.4747 6.6438 6.6438 6.8151 6.8151 7.0635 7.0635 7.1869 7.1869 7.2256 7.2256 7.8938 7.8938 8.1863 8.1863 8.2605 8.2605 8.5484 8.5484 8.8418 8.8418 9.7573 9.7573 9.8289 9.8289 10.6421 10.6421 10.9065 10.9065 11.8003 11.8003 11.9010 11.9010 12.2618 12.2618 k = 0.0000 0.2976 0.2076 ( 5284 PWs) bands (ev): -1.1945 -1.1945 -0.3461 -0.3461 1.0368 1.0368 2.7434 2.7434 4.7721 4.7721 5.1399 5.1399 5.2716 5.2716 5.8138 5.8138 5.9436 5.9436 6.1379 6.1379 6.4678 6.4678 6.6331 6.6331 6.8111 6.8111 7.0308 7.0308 7.1595 7.1595 7.1975 7.1975 7.8283 7.8283 8.1360 8.1360 8.2875 8.2875 8.5991 8.5991 8.8279 8.8279 9.7272 9.7272 9.8695 9.8695 10.7234 10.7234 10.9073 10.9073 11.7922 11.7922 11.8801 11.8801 12.3241 12.3241 k = 0.0000 0.3095 0.2076 ( 5292 PWs) bands (ev): -1.1213 -1.1213 -0.2862 -0.2862 1.0501 1.0501 2.5941 2.5941 4.8267 4.8267 5.0823 5.0823 5.2468 5.2468 5.8242 5.8242 5.9529 5.9529 6.1564 6.1564 6.4572 6.4572 6.6256 6.6256 6.8076 6.8076 6.9988 6.9988 7.1304 7.1304 7.1733 7.1733 7.7633 7.7633 8.0718 8.0718 8.3248 8.3248 8.6506 8.6506 8.8131 8.8131 9.7020 9.7020 9.9068 9.9068 10.8080 10.8080 10.9074 10.9074 11.7353 11.7353 11.9223 11.9223 12.3847 12.3847 k = 0.0000 0.3214 0.2076 ( 5292 PWs) bands (ev): -1.0454 -1.0454 -0.2250 -0.2250 1.0609 1.0609 2.4463 2.4463 4.8775 4.8775 5.0247 5.0247 5.2271 5.2271 5.8352 5.8352 5.9638 5.9638 6.1753 6.1753 6.4432 6.4432 6.6214 6.6214 6.8047 6.8047 6.9676 6.9676 7.1014 7.1014 7.1513 7.1513 7.6994 7.6994 8.0034 8.0034 8.3626 8.3626 8.7029 8.7029 8.7978 8.7978 9.6833 9.6833 9.9384 9.9384 10.8904 10.8904 10.9111 10.9111 11.6801 11.6801 11.9776 11.9776 12.4411 12.4411 k = 0.0000 0.3333 0.2076 ( 5284 PWs) bands (ev): -0.9668 -0.9668 -0.1628 -0.1628 1.0690 1.0690 2.3000 2.3000 4.9197 4.9197 4.9685 4.9685 5.2168 5.2168 5.8468 5.8468 5.9759 5.9759 6.1946 6.1946 6.4265 6.4265 6.6200 6.6200 6.8024 6.8024 6.9370 6.9370 7.0735 7.0735 7.1304 7.1304 7.6373 7.6373 7.9326 7.9326 8.3989 8.3989 8.7556 8.7556 8.7824 8.7824 9.6717 9.6717 9.9630 9.9630 10.8978 10.8978 10.9897 10.9897 11.6345 11.6345 12.0390 12.0390 12.4882 12.4882 k = 0.0000 0.3452 0.2076 ( 5288 PWs) bands (ev): -0.8856 -0.8856 -0.0998 -0.0998 1.0739 1.0739 2.1556 2.1556 4.9137 4.9137 4.9478 4.9478 5.2221 5.2221 5.8589 5.8589 5.9884 5.9884 6.2140 6.2140 6.4077 6.4077 6.6210 6.6210 6.8006 6.8006 6.9074 6.9074 7.0469 7.0469 7.1100 7.1100 7.5774 7.5774 7.8601 7.8601 8.4327 8.4327 8.7657 8.7657 8.8100 8.8100 9.6679 9.6679 9.9793 9.9793 10.8890 10.8890 11.0834 11.0834 11.6009 11.6009 12.1045 12.1045 12.5178 12.5178 k = 0.0000 0.3571 0.2076 ( 5290 PWs) bands (ev): -0.8018 -0.8018 -0.0362 -0.0362 1.0753 1.0753 2.0130 2.0130 4.8633 4.8633 4.9555 4.9555 5.2474 5.2474 5.8714 5.8714 6.0009 6.0009 6.2329 6.2329 6.3881 6.3881 6.6236 6.6236 6.7993 6.7993 6.8786 6.8786 7.0220 7.0220 7.0902 7.0902 7.5201 7.5201 7.7868 7.7868 8.4636 8.4636 8.7502 8.7502 8.8640 8.8640 9.6720 9.6720 9.9867 9.9867 10.8747 10.8747 11.1798 11.1798 11.5803 11.5803 12.1733 12.1733 12.5270 12.5270 k = 0.0000 0.3690 0.2076 ( 5278 PWs) bands (ev): -0.7154 -0.7154 0.0277 0.0277 1.0730 1.0730 1.8726 1.8726 4.8166 4.8166 4.9462 4.9462 5.2902 5.2902 5.8843 5.8843 6.0129 6.0129 6.2507 6.2507 6.3690 6.3690 6.6275 6.6275 6.7985 6.7985 6.8509 6.8509 6.9988 6.9988 7.0711 7.0711 7.4658 7.4658 7.7131 7.7131 8.4910 8.4910 8.7349 8.7349 8.9187 8.9187 9.6844 9.6844 9.9846 9.9846 10.8545 10.8545 11.2781 11.2781 11.5734 11.5734 12.2443 12.2443 12.5223 12.5223 k = 0.0000 0.3810 0.2076 ( 5270 PWs) bands (ev): -0.6265 -0.6265 0.0916 0.0916 1.0667 1.0667 1.7345 1.7345 4.7746 4.7746 4.9261 4.9261 5.3441 5.3441 5.8975 5.8975 6.0241 6.0241 6.2651 6.2651 6.3530 6.3530 6.6321 6.6321 6.7981 6.7981 6.8247 6.8247 6.9773 6.9773 7.0528 7.0528 7.4146 7.4146 7.6397 7.6397 8.5148 8.5148 8.7201 8.7201 8.9738 8.9738 9.7051 9.7051 9.9732 9.9732 10.8278 10.8278 11.3773 11.3773 11.5809 11.5809 12.3164 12.3164 12.5100 12.5100 k = 0.0000 0.3929 0.2076 ( 5262 PWs) bands (ev): -0.5352 -0.5352 0.1551 0.1551 1.0562 1.0562 1.5989 1.5989 4.7377 4.7377 4.8999 4.8999 5.4041 5.4041 5.9110 5.9110 6.0338 6.0338 6.2706 6.2706 6.3457 6.3457 6.6365 6.6365 6.7979 6.7979 6.8005 6.8005 6.9575 6.9575 7.0356 7.0356 7.3668 7.3668 7.5674 7.5674 8.5351 8.5351 8.7059 8.7059 9.0294 9.0294 9.7337 9.7337 9.9531 9.9531 10.7942 10.7942 11.4745 11.4745 11.6041 11.6041 12.3873 12.3873 12.4955 12.4955 k = 0.0000 0.4048 0.2076 ( 5262 PWs) bands (ev): -0.4414 -0.4414 0.2178 0.2178 1.0413 1.0413 1.4662 1.4662 4.7063 4.7063 4.8707 4.8707 5.4671 5.4671 5.9244 5.9244 6.0418 6.0418 6.2631 6.2631 6.3517 6.3517 6.6396 6.6396 6.7792 6.7792 6.7979 6.7979 6.9397 6.9397 7.0195 7.0195 7.3226 7.3226 7.4971 7.4971 8.5519 8.5519 8.6926 8.6926 9.0853 9.0853 9.7697 9.7697 9.9254 9.9254 10.7537 10.7537 11.5617 11.5617 11.6494 11.6494 12.4462 12.4462 12.4911 12.4911 k = 0.0000 0.4167 0.2076 ( 5264 PWs) bands (ev): -0.3454 -0.3454 0.2788 0.2788 1.0221 1.0221 1.3368 1.3368 4.6807 4.6807 4.8402 4.8402 5.5311 5.5311 5.9376 5.9376 6.0478 6.0478 6.2468 6.2468 6.3668 6.3668 6.6398 6.6398 6.7626 6.7626 6.7978 6.7978 6.9241 6.9241 7.0048 7.0048 7.2820 7.2820 7.4296 7.4296 8.5658 8.5658 8.6801 8.6801 9.1415 9.1415 9.8114 9.8114 9.8922 9.8922 10.7066 10.7066 11.6276 11.6276 11.7256 11.7256 12.4504 12.4504 12.5385 12.5385 k = 0.0000 0.4286 0.2076 ( 5256 PWs) bands (ev): -0.2473 -0.2473 0.3372 0.3372 0.9987 0.9987 1.2115 1.2115 4.6611 4.6611 4.8094 4.8094 5.5947 5.5947 5.9500 5.9500 6.0518 6.0518 6.2269 6.2269 6.3859 6.3859 6.6347 6.6347 6.7527 6.7527 6.7975 6.7975 6.9109 6.9109 6.9914 6.9914 7.2453 7.2453 7.3661 7.3661 8.5771 8.5771 8.6686 8.6686 9.1980 9.1980 9.8371 9.8371 9.8759 9.8759 10.6533 10.6533 11.6825 11.6825 11.8188 11.8188 12.4367 12.4367 12.5737 12.5737 k = 0.0000 0.4405 0.2076 ( 5260 PWs) bands (ev): -0.1472 -0.1472 0.3913 0.3913 0.9713 0.9713 1.0918 1.0918 4.6474 4.6474 4.7794 4.7794 5.6566 5.6566 5.9602 5.9602 6.0543 6.0543 6.2056 6.2056 6.4068 6.4068 6.6234 6.6234 6.7504 6.7504 6.7967 6.7967 6.9007 6.9007 6.9792 6.9792 7.2127 7.2127 7.3080 7.3080 8.5863 8.5863 8.6581 8.6581 9.2548 9.2548 9.8000 9.8000 9.9236 9.9236 10.5947 10.5947 11.7377 11.7377 11.9128 11.9128 12.4225 12.4225 12.5699 12.5699 k = 0.0000 0.4524 0.2076 ( 5260 PWs) bands (ev): -0.0455 -0.0455 0.4376 0.4376 0.9401 0.9401 0.9810 0.9810 4.6395 4.6395 4.7507 4.7507 5.7158 5.7158 5.9663 5.9663 6.0569 6.0569 6.1840 6.1840 6.4286 6.4286 6.6069 6.6069 6.7542 6.7542 6.7954 6.7954 6.8940 6.8940 6.9677 6.9677 7.1849 7.1849 7.2568 7.2568 8.5940 8.5940 8.6485 8.6485 9.3116 9.3116 9.7525 9.7525 9.9829 9.9829 10.5316 10.5316 11.7953 11.7953 11.9965 11.9965 12.4137 12.4137 12.5695 12.5695 k = 0.0000 0.4643 0.2076 ( 5248 PWs) bands (ev): 0.0571 0.0571 0.4690 0.4690 0.8845 0.8845 0.9074 0.9074 4.6374 4.6374 4.7241 4.7241 5.7713 5.7713 5.9652 5.9652 6.0620 6.0620 6.1625 6.1625 6.4510 6.4510 6.5870 6.5870 6.7614 6.7614 6.7935 6.7935 6.8916 6.8916 6.9557 6.9557 7.1627 7.1627 7.2140 7.2140 8.6007 8.6007 8.6399 8.6399 9.3686 9.3686 9.7016 9.7016 10.0469 10.0469 10.4651 10.4651 11.8546 11.8546 12.0561 12.0561 12.4220 12.4220 12.5747 12.5747 k = 0.0000 0.4762 0.2076 ( 5238 PWs) bands (ev): 0.1597 0.1597 0.4711 0.4711 0.8191 0.8191 0.8717 0.8717 4.6407 4.6407 4.7001 4.7001 5.8218 5.8218 5.9544 5.9544 6.0715 6.0715 6.1414 6.1414 6.4737 6.4737 6.5653 6.5653 6.7697 6.7697 6.7910 6.7910 6.8942 6.8942 6.9426 6.9426 7.1477 7.1477 7.1807 7.1807 8.6068 8.6068 8.6322 8.6322 9.4254 9.4254 9.6485 9.6485 10.1141 10.1141 10.3960 10.3960 11.9140 11.9140 12.0771 12.0771 12.4597 12.4597 12.5847 12.5847 k = 0.0000 0.4881 0.2076 ( 5240 PWs) bands (ev): 0.2602 0.2602 0.4301 0.4301 0.7963 0.7963 0.8371 0.8371 4.6490 4.6490 4.6792 4.6792 5.8664 5.8664 5.9337 5.9337 6.0853 6.0853 6.1211 6.1211 6.4966 6.4966 6.5426 6.5426 6.7773 6.7773 6.7877 6.7877 6.9018 6.9018 6.9282 6.9282 7.1412 7.1412 7.1575 7.1575 8.6127 8.6127 8.6252 8.6252 9.4821 9.4821 9.5939 9.5939 10.1835 10.1835 10.3254 10.3254 11.9711 11.9711 12.0613 12.0613 12.5214 12.5214 12.5946 12.5946 k = 0.0000 0.5000 0.2076 ( 5236 PWs) bands (ev): 0.3539 0.3539 0.3539 0.3539 0.8083 0.8083 0.8083 0.8083 4.6620 4.6620 4.6620 4.6620 5.9041 5.9041 5.9041 5.9041 6.1021 6.1021 6.1021 6.1021 6.5197 6.5197 6.5197 6.5197 6.7833 6.7833 6.7833 6.7833 6.9138 6.9138 6.9138 6.9138 7.1444 7.1444 7.1444 7.1444 8.6187 8.6187 8.6187 8.6187 9.5384 9.5384 9.5384 9.5384 10.2543 10.2543 10.2543 10.2543 12.0223 12.0223 12.0223 12.0223 12.5782 12.5782 12.5782 12.5782 k = 0.0000 0.5000 0.2076 ( 5236 PWs) bands (ev): 0.3539 0.3539 0.3539 0.3539 0.8083 0.8083 0.8083 0.8083 4.6620 4.6620 4.6620 4.6620 5.9041 5.9041 5.9041 5.9041 6.1021 6.1021 6.1021 6.1021 6.5197 6.5197 6.5197 6.5197 6.7833 6.7833 6.7833 6.7833 6.9138 6.9138 6.9138 6.9138 7.1444 7.1444 7.1444 7.1444 8.6187 8.6187 8.6187 8.6187 9.5384 9.5384 9.5384 9.5384 10.2543 10.2543 10.2543 10.2543 12.0223 12.0223 12.0223 12.0223 12.5782 12.5782 12.5782 12.5782 k = 0.0119 0.5000 0.2076 ( 5236 PWs) bands (ev): 0.3548 0.3548 0.3550 0.3550 0.8092 0.8092 0.8092 0.8092 4.6624 4.6624 4.6624 4.6624 5.8991 5.8991 5.9076 5.9076 6.0957 6.0957 6.1107 6.1107 6.5097 6.5097 6.5268 6.5268 6.7745 6.7745 6.7929 6.7929 6.9113 6.9113 6.9176 6.9176 7.1441 7.1441 7.1454 7.1454 8.6128 8.6128 8.6163 8.6163 9.5306 9.5306 9.5390 9.5390 10.2387 10.2387 10.2576 10.2576 12.0088 12.0088 12.0403 12.0403 12.5173 12.5173 12.5466 12.5466 k = 0.0238 0.5000 0.2076 ( 5236 PWs) bands (ev): 0.3577 0.3577 0.3582 0.3582 0.8119 0.8119 0.8120 0.8120 4.6636 4.6636 4.6636 4.6636 5.8930 5.8930 5.9094 5.9094 6.0918 6.0918 6.1211 6.1211 6.4975 6.4975 6.5308 6.5308 6.7671 6.7671 6.8023 6.8023 6.9105 6.9105 6.9222 6.9222 7.1445 7.1445 7.1470 7.1470 8.5984 8.5984 8.6055 8.6055 9.5158 9.5158 9.5318 9.5318 10.2127 10.2127 10.2490 10.2490 11.9955 11.9955 12.0603 12.0603 12.4593 12.4593 12.4692 12.4692 k = 0.0357 0.5000 0.2076 ( 5240 PWs) bands (ev): 0.3626 0.3626 0.3634 0.3634 0.8164 0.8164 0.8165 0.8165 4.6655 4.6655 4.6655 4.6655 5.8862 5.8862 5.9091 5.9091 6.0907 6.0907 6.1329 6.1329 6.4835 6.4835 6.5314 6.5314 6.7613 6.7613 6.8100 6.8100 6.9122 6.9122 6.9278 6.9278 7.1456 7.1456 7.1494 7.1494 8.5756 8.5756 8.5865 8.5865 9.4934 9.4934 9.5153 9.5153 10.1796 10.1796 10.2308 10.2308 11.9733 11.9733 12.0705 12.0705 12.4096 12.4096 12.4229 12.4229 k = 0.0476 0.5000 0.2076 ( 5240 PWs) bands (ev): 0.3696 0.3696 0.3706 0.3706 0.8227 0.8227 0.8229 0.8229 4.6681 4.6681 4.6681 4.6681 5.8790 5.8790 5.9069 5.9069 6.0925 6.0925 6.1458 6.1458 6.4684 6.4684 6.5287 6.5287 6.7568 6.7568 6.8147 6.8147 6.9176 6.9176 6.9345 6.9345 7.1474 7.1474 7.1525 7.1525 8.5443 8.5443 8.5595 8.5595 9.4626 9.4626 9.4879 9.4879 10.1438 10.1438 10.2062 10.2062 11.9343 11.9343 12.0521 12.0521 12.3893 12.3893 12.4164 12.4164 k = 0.0595 0.5000 0.2076 ( 5244 PWs) bands (ev): 0.3785 0.3785 0.3798 0.3798 0.8309 0.8309 0.8311 0.8311 4.6711 4.6711 4.6713 4.6713 5.8718 5.8718 5.9030 5.9030 6.0971 6.0971 6.1595 6.1595 6.4524 6.4524 6.5231 6.5231 6.7531 6.7531 6.8154 6.8154 6.9271 6.9271 6.9424 6.9424 7.1499 7.1499 7.1563 7.1563 8.5046 8.5046 8.5246 8.5246 9.4227 9.4227 9.4480 9.4480 10.1095 10.1095 10.1789 10.1789 11.8787 11.8787 12.0001 12.0001 12.4118 12.4118 12.4377 12.4377 k = 0.0714 0.5000 0.2076 ( 5236 PWs) bands (ev): 0.3894 0.3894 0.3908 0.3908 0.8408 0.8408 0.8411 0.8411 4.6744 4.6744 4.6747 4.6747 5.8649 5.8649 5.8978 5.8978 6.1040 6.1040 6.1739 6.1739 6.4361 6.4361 6.5153 6.5153 6.7494 6.7494 6.8122 6.8122 6.9402 6.9402 6.9517 6.9517 7.1532 7.1532 7.1609 7.1609 8.4565 8.4565 8.4818 8.4818 9.3735 9.3735 9.3953 9.3953 10.0799 10.0799 10.1516 10.1516 11.8125 11.8125 11.9289 11.9289 12.4604 12.4604 12.4784 12.4784 k = 0.0833 0.5000 0.2076 ( 5236 PWs) bands (ev): 0.4022 0.4022 0.4038 0.4038 0.8526 0.8526 0.8530 0.8530 4.6777 4.6777 4.6783 4.6783 5.8585 5.8585 5.8919 5.8919 6.1131 6.1131 6.1887 6.1887 6.4197 6.4197 6.5058 6.5058 6.7450 6.7450 6.8057 6.8057 6.9561 6.9561 6.9624 6.9624 7.1572 7.1572 7.1663 7.1663 8.4002 8.4002 8.4312 8.4312 9.3157 9.3157 9.3309 9.3309 10.0560 10.0560 10.1263 10.1263 11.7420 11.7420 11.8514 11.8514 12.5191 12.5191 12.5290 12.5290 k = 0.0952 0.5000 0.2076 ( 5248 PWs) bands (ev): 0.4167 0.4167 0.4185 0.4185 0.8663 0.8663 0.8668 0.8668 4.6809 4.6809 4.6818 4.6818 5.8528 5.8528 5.8857 5.8857 6.1238 6.1238 6.2039 6.2039 6.4035 6.4035 6.4951 6.4951 6.7393 6.7393 6.7966 6.7966 6.9738 6.9738 6.9744 6.9744 7.1621 7.1621 7.1724 7.1724 8.3356 8.3356 8.3727 8.3727 9.2508 9.2508 9.2573 9.2573 10.0374 10.0374 10.1035 10.1035 11.6715 11.6715 11.7740 11.7740 12.5783 12.5783 12.5822 12.5822 k = 0.1071 0.5000 0.2076 ( 5252 PWs) bands (ev): 0.4331 0.4331 0.4350 0.4350 0.8818 0.8818 0.8824 0.8824 4.6836 4.6836 4.6850 4.6850 5.8481 5.8481 5.8798 5.8798 6.1360 6.1360 6.2192 6.2192 6.3878 6.3878 6.4839 6.4839 6.7322 6.7322 6.7853 6.7853 6.9877 6.9877 6.9926 6.9926 7.1677 7.1677 7.1792 7.1792 8.2630 8.2630 8.3063 8.3063 9.1777 9.1777 9.1808 9.1808 10.0225 10.0225 10.0827 10.0827 11.6038 11.6038 11.6997 11.6997 12.6323 12.6323 12.6328 12.6328 k = 0.1190 0.5000 0.2076 ( 5260 PWs) bands (ev): 0.4511 0.4511 0.4531 0.4531 0.8992 0.8992 0.9000 0.9000 4.6856 4.6856 4.6874 4.6874 5.8447 5.8447 5.8746 5.8746 6.1494 6.1494 6.2345 6.2345 6.3730 6.3730 6.4724 6.4724 6.7232 6.7232 6.7722 6.7722 7.0020 7.0020 7.0121 7.0121 7.1741 7.1741 7.1867 7.1867 8.1829 8.1829 8.2323 8.2323 9.0950 9.0950 9.1077 9.1077 10.0093 10.0093 10.0629 10.0629 11.5407 11.5407 11.6304 11.6304 12.6778 12.6778 12.6778 12.6778 k = 0.1310 0.5000 0.2076 ( 5264 PWs) bands (ev): 0.4707 0.4707 0.4728 0.4728 0.9185 0.9185 0.9194 0.9194 4.6865 4.6865 4.6890 4.6890 5.8427 5.8427 5.8704 5.8704 6.1637 6.1637 6.2493 6.2493 6.3596 6.3596 6.4611 6.4611 6.7124 6.7124 6.7575 6.7575 7.0171 7.0171 7.0317 7.0317 7.1813 7.1813 7.1948 7.1948 8.0958 8.0958 8.1510 8.1510 9.0119 9.0119 9.0335 9.0335 9.9958 9.9958 10.0425 10.0425 11.4838 11.4838 11.5674 11.5674 12.7136 12.7136 12.7157 12.7157 k = 0.1429 0.5000 0.2076 ( 5260 PWs) bands (ev): 0.4917 0.4917 0.4939 0.4939 0.9397 0.9397 0.9408 0.9408 4.6862 4.6862 4.6893 4.6893 5.8423 5.8423 5.8676 5.8676 6.1789 6.1789 6.2628 6.2628 6.3484 6.3484 6.4501 6.4501 6.6998 6.6998 6.7412 6.7412 7.0325 7.0325 7.0513 7.0513 7.1890 7.1890 7.2033 7.2033 8.0027 8.0027 8.0631 8.0631 8.9305 8.9305 8.9597 8.9597 9.9803 9.9803 10.0202 10.0202 11.4340 11.4340 11.5117 11.5117 12.7398 12.7398 12.7464 12.7464 k = 0.1548 0.5000 0.2076 ( 5256 PWs) bands (ev): 0.5142 0.5142 0.5163 0.5163 0.9628 0.9628 0.9642 0.9642 4.6842 4.6842 4.6881 4.6881 5.8438 5.8438 5.8663 5.8663 6.1946 6.1946 6.2734 6.2734 6.3411 6.3411 6.4397 6.4397 6.6852 6.6852 6.7233 6.7233 7.0480 7.0480 7.0704 7.0704 7.1970 7.1970 7.2119 7.2119 7.9051 7.9051 7.9701 7.9701 8.8519 8.8519 8.8875 8.8875 9.9613 9.9613 9.9946 9.9946 11.3921 11.3921 11.4641 11.4641 12.7569 12.7569 12.7701 12.7701 k = 0.1667 0.5000 0.2076 ( 5260 PWs) bands (ev): 0.5378 0.5378 0.5399 0.5399 0.9878 0.9878 0.9895 0.9895 4.6803 4.6803 4.6851 4.6851 5.8472 5.8472 5.8668 5.8668 6.2109 6.2109 6.2784 6.2784 6.3403 6.3403 6.4301 6.4301 6.6686 6.6686 6.7037 6.7037 7.0631 7.0631 7.0888 7.0888 7.2049 7.2049 7.2201 7.2201 7.8050 7.8050 7.8739 7.8739 8.7769 8.7769 8.8174 8.8174 9.9375 9.9375 9.9648 9.9648 11.3589 11.3589 11.4252 11.4252 12.7656 12.7656 12.7870 12.7870 k = 0.1786 0.5000 0.2076 ( 5256 PWs) bands (ev): 0.5626 0.5626 0.5646 0.5646 1.0149 1.0149 1.0169 1.0169 4.6745 4.6745 4.6802 4.6802 5.8526 5.8526 5.8688 5.8688 6.2276 6.2276 6.2769 6.2769 6.3469 6.3469 6.4214 6.4214 6.6498 6.6498 6.6820 6.6820 7.0771 7.0771 7.1061 7.1061 7.2118 7.2118 7.2272 7.2272 7.7051 7.7051 7.7772 7.7772 8.7057 8.7057 8.7499 8.7499 9.9082 9.9082 9.9298 9.9298 11.3346 11.3346 11.3955 11.3955 12.7673 12.7673 12.7974 12.7974 k = 0.1905 0.5000 0.2076 ( 5256 PWs) bands (ev): 0.5883 0.5883 0.5902 0.5902 1.0439 1.0439 1.0462 1.0462 4.6665 4.6665 4.6731 4.6731 5.8598 5.8598 5.8725 5.8725 6.2443 6.2443 6.2713 6.2713 6.3585 6.3585 6.4138 6.4138 6.6286 6.6286 6.6579 6.6579 7.0892 7.0892 7.1213 7.1213 7.2160 7.2160 7.2320 7.2320 7.6096 7.6096 7.6839 7.6839 8.6384 8.6384 8.6851 8.6851 9.8728 9.8728 9.8894 9.8894 11.3193 11.3193 11.3753 11.3753 12.7641 12.7641 12.8018 12.8018 k = 0.2024 0.5000 0.2076 ( 5256 PWs) bands (ev): 0.6148 0.6148 0.6166 0.6166 1.0749 1.0749 1.0776 1.0776 4.6563 4.6563 4.6639 4.6639 5.8687 5.8687 5.8774 5.8774 6.2609 6.2609 6.2640 6.2640 6.3721 6.3721 6.4075 6.4075 6.6044 6.6044 6.6308 6.6308 7.0971 7.0971 7.1325 7.1325 7.2153 7.2153 7.2330 7.2330 7.5252 7.5252 7.5995 7.5995 8.5747 8.5747 8.6232 8.6232 9.8312 9.8312 9.8435 9.8435 11.3129 11.3129 11.3643 11.3643 12.7583 12.7583 12.8014 12.8014 k = 0.2143 0.5000 0.2076 ( 5256 PWs) bands (ev): 0.6420 0.6420 0.6437 0.6437 1.1079 1.1079 1.1109 1.1109 4.6440 4.6440 4.6525 4.6525 5.8791 5.8791 5.8833 5.8833 6.2565 6.2565 6.2768 6.2768 6.3860 6.3860 6.4027 6.4027 6.5767 6.5767 6.6000 6.6000 7.0968 7.0968 7.1329 7.1329 7.2094 7.2094 7.2295 7.2295 7.4611 7.4611 7.5314 7.5314 8.5144 8.5144 8.5640 8.5640 9.7835 9.7835 9.7922 9.7922 11.3150 11.3150 11.3623 11.3623 12.7514 12.7514 12.7979 12.7979 k = 0.2262 0.5000 0.2076 ( 5264 PWs) bands (ev): 0.6697 0.6697 0.6711 0.6711 1.1428 1.1428 1.1463 1.1463 4.6295 4.6295 4.6391 4.6391 5.8894 5.8894 5.8902 5.8902 6.2493 6.2493 6.2912 6.2912 6.3981 6.3981 6.3997 6.3997 6.5447 6.5447 6.5650 6.5650 7.0814 7.0814 7.1094 7.1094 7.2071 7.2071 7.2247 7.2247 7.4246 7.4246 7.4858 7.4858 8.4574 8.4574 8.5075 8.5075 9.7303 9.7303 9.7361 9.7361 11.3249 11.3249 11.3688 11.3688 12.7443 12.7443 12.7925 12.7925 k = 0.2381 0.5000 0.2076 ( 5260 PWs) bands (ev): 0.6977 0.6977 0.6989 0.6989 1.1797 1.1797 1.1836 1.1836 4.6132 4.6132 4.6236 4.6236 5.8948 5.8948 5.9013 5.9013 6.2426 6.2426 6.3026 6.3026 6.3993 6.3993 6.4046 6.4046 6.5080 6.5080 6.5278 6.5278 7.0476 7.0476 7.0635 7.0635 7.2137 7.2137 7.2244 7.2244 7.4122 7.4122 7.4628 7.4628 8.4035 8.4035 8.4538 8.4538 9.6721 9.6721 9.6756 9.6756 11.3420 11.3420 11.3830 11.3830 12.7376 12.7376 12.7864 12.7864 k = 0.2500 0.5000 0.2076 ( 5272 PWs) bands (ev): 0.7258 0.7258 0.7268 0.7268 1.2185 1.2185 1.2227 1.2227 4.5951 4.5951 4.6064 4.6064 5.8981 5.8981 5.9110 5.9110 6.2365 6.2365 6.3080 6.3080 6.3948 6.3948 6.4020 6.4020 6.4678 6.4678 6.4981 6.4981 7.0027 7.0027 7.0118 7.0118 7.2244 7.2244 7.2302 7.2302 7.4148 7.4148 7.4567 7.4567 8.3526 8.3526 8.4028 8.4028 9.6096 9.6096 9.6115 9.6115 11.3656 11.3656 11.4042 11.4042 12.7315 12.7315 12.7800 12.7800 k = 0.2619 0.5000 0.2076 ( 5272 PWs) bands (ev): 0.7540 0.7540 0.7548 0.7548 1.2591 1.2591 1.2637 1.2637 4.5757 4.5757 4.5877 4.5877 5.8976 5.8976 5.9174 5.9174 6.2303 6.2303 6.3019 6.3019 6.3570 6.3570 6.4065 6.4065 6.4312 6.4312 6.4889 6.4889 6.9573 6.9573 6.9655 6.9655 7.2363 7.2363 7.2400 7.2400 7.4255 7.4255 7.4611 7.4611 8.3046 8.3046 8.3546 8.3546 9.5436 9.5436 9.5443 9.5443 11.3949 11.3949 11.4316 11.4316 12.7260 12.7260 12.7736 12.7736 k = 0.2738 0.5000 0.2076 ( 5276 PWs) bands (ev): 0.7821 0.7821 0.7826 0.7826 1.3014 1.3014 1.3064 1.3064 4.5550 4.5550 4.5677 4.5677 5.8900 5.8900 5.9165 5.9165 6.2218 6.2218 6.2775 6.2775 6.3039 6.3039 6.3941 6.3941 6.4259 6.4259 6.4935 6.4935 6.9183 6.9183 6.9293 6.9293 7.2482 7.2482 7.2516 7.2516 7.4410 7.4410 7.4718 7.4718 8.2596 8.2596 8.3093 8.3093 9.4748 9.4748 9.4749 9.4749 11.4292 11.4292 11.4644 11.4644 12.7212 12.7212 12.7672 12.7672 k = 0.2857 0.5000 0.2076 ( 5272 PWs) bands (ev): 0.8098 0.8098 0.8101 0.8101 1.3452 1.3452 1.3506 1.3506 4.5335 4.5335 4.5468 4.5468 5.8711 5.8711 5.9024 5.9024 6.2024 6.2024 6.2375 6.2375 6.2612 6.2612 6.3799 6.3799 6.4392 6.4392 6.5025 6.5025 6.8885 6.8885 6.9041 6.9041 7.2597 7.2597 7.2640 7.2640 7.4593 7.4593 7.4864 7.4864 8.2177 8.2177 8.2670 8.2670 9.4037 9.4037 9.4039 9.4039 11.4677 11.4677 11.5018 11.5018 12.7168 12.7168 12.7609 12.7609 k = 0.2976 0.5000 0.2076 ( 5276 PWs) bands (ev): 0.8371 0.8371 0.8371 0.8371 1.3905 1.3905 1.3962 1.3962 4.5115 4.5115 4.5254 4.5254 5.8358 5.8358 5.8669 5.8669 6.1695 6.1695 6.1961 6.1961 6.2451 6.2451 6.3721 6.3721 6.4557 6.4557 6.5124 6.5124 6.8683 6.8683 6.8889 6.8889 7.2703 7.2703 7.2764 7.2764 7.4796 7.4796 7.5035 7.5035 8.1790 8.1790 8.2279 8.2279 9.3313 9.3313 9.3315 9.3315 11.5098 11.5098 11.5430 11.5430 12.7131 12.7131 12.7547 12.7547 k = 0.3095 0.5000 0.2076 ( 5272 PWs) bands (ev): 0.8636 0.8636 0.8638 0.8638 1.4370 1.4370 1.4429 1.4429 4.4894 4.4894 4.5037 4.5037 5.7810 5.7810 5.8062 5.8062 6.1444 6.1444 6.1638 6.1638 6.2411 6.2411 6.3665 6.3665 6.4735 6.4735 6.5223 6.5223 6.8569 6.8569 6.8824 6.8824 7.2797 7.2797 7.2882 7.2882 7.5012 7.5012 7.5225 7.5225 8.1436 8.1436 8.1921 8.1921 9.2583 9.2583 9.2583 9.2583 11.5548 11.5548 11.5871 11.5871 12.7098 12.7098 12.7487 12.7487 k = 0.3214 0.5000 0.2076 ( 5276 PWs) bands (ev): 0.8894 0.8894 0.8898 0.8898 1.4844 1.4844 1.4906 1.4906 4.4676 4.4676 4.4822 4.4822 5.7086 5.7086 5.7255 5.7255 6.1324 6.1324 6.1431 6.1431 6.2407 6.2407 6.3614 6.3614 6.4920 6.4920 6.5319 6.5319 6.8529 6.8529 6.8832 6.8832 7.2876 7.2876 7.2991 7.2991 7.5240 7.5240 7.5429 7.5429 8.1119 8.1119 8.1599 8.1599 9.1847 9.1847 9.1850 9.1850 11.6018 11.6018 11.6335 11.6335 12.7074 12.7074 12.7430 12.7430 k = 0.3333 0.5000 0.2076 ( 5284 PWs) bands (ev): 0.9144 0.9144 0.9149 0.9149 1.5325 1.5325 1.5388 1.5388 4.4463 4.4463 4.4612 4.4612 5.6238 5.6238 5.6329 5.6329 6.1286 6.1286 6.1316 6.1316 6.2419 6.2419 6.3560 6.3560 6.5107 6.5107 6.5414 6.5414 6.8554 6.8554 6.8899 6.8899 7.2937 7.2937 7.3086 7.3086 7.5477 7.5477 7.5644 7.5644 8.0841 8.0841 8.1313 8.1313 9.1112 9.1112 9.1120 9.1120 11.6502 11.6502 11.6811 11.6811 12.7060 12.7060 12.7380 12.7380 k = 0.3452 0.5000 0.2076 ( 5280 PWs) bands (ev): 0.9384 0.9384 0.9391 0.9391 1.5809 1.5809 1.5873 1.5873 4.4261 4.4261 4.4411 4.4411 5.5318 5.5318 5.5347 5.5347 6.1260 6.1260 6.1290 6.1290 6.2438 6.2438 6.3500 6.3500 6.5294 6.5294 6.5509 6.5509 6.8630 6.8630 6.9013 6.9013 7.2978 7.2978 7.3163 7.3163 7.5721 7.5721 7.5869 7.5869 8.0602 8.0602 8.1065 8.1065 9.0383 9.0383 9.0397 9.0397 11.6989 11.6989 11.7290 11.7290 12.7064 12.7064 12.7342 12.7342 k = 0.3571 0.5000 0.2076 ( 5288 PWs) bands (ev): 0.9613 0.9613 0.9621 0.9621 1.6292 1.6292 1.6357 1.6357 4.4072 4.4072 4.4224 4.4224 5.4346 5.4346 5.4363 5.4363 6.1240 6.1240 6.1311 6.1311 6.2458 6.2458 6.3434 6.3434 6.5476 6.5476 6.5608 6.5608 6.8749 6.8749 6.9165 6.9165 7.2997 7.2997 7.3218 7.3218 7.5972 7.5972 7.6101 7.6101 8.0405 8.0405 8.0857 8.0857 8.9665 8.9665 8.9684 8.9684 11.7471 11.7471 11.7762 11.7762 12.7091 12.7091 12.7324 12.7324 k = 0.3690 0.5000 0.2076 ( 5288 PWs) bands (ev): 0.9830 0.9830 0.9839 0.9839 1.6771 1.6771 1.6836 1.6836 4.3901 4.3901 4.4053 4.4053 5.3350 5.3350 5.3401 5.3401 6.1241 6.1241 6.1340 6.1340 6.2476 6.2476 6.3362 6.3362 6.5652 6.5652 6.5711 6.5711 6.8902 6.8902 6.9345 6.9345 7.2990 7.2990 7.3249 7.3249 7.6229 7.6229 7.6342 7.6342 8.0250 8.0250 8.0686 8.0686 8.8960 8.8960 8.8985 8.8985 11.7938 11.7938 11.8214 11.8214 12.7153 12.7153 12.7335 12.7335 k = 0.3810 0.5000 0.2076 ( 5292 PWs) bands (ev): 1.0033 1.0033 1.0043 1.0043 1.7240 1.7240 1.7304 1.7304 4.3752 4.3752 4.3904 4.3904 5.2374 5.2374 5.2450 5.2450 6.1254 6.1254 6.1370 6.1370 6.2490 6.2490 6.3286 6.3286 6.5818 6.5818 6.5820 6.5820 6.9080 6.9080 6.9545 6.9545 7.2959 7.2959 7.3253 7.3253 7.6493 7.6493 7.6591 7.6591 8.0136 8.0136 8.0553 8.0553 8.8275 8.8275 8.8304 8.8304 11.8376 11.8376 11.8634 11.8634 12.7259 12.7259 12.7386 12.7386 k = 0.3929 0.5000 0.2076 ( 5284 PWs) bands (ev): 1.0222 1.0222 1.0232 1.0232 1.7695 1.7695 1.7756 1.7756 4.3629 4.3629 4.3779 4.3779 5.1430 5.1430 5.1525 5.1525 6.1274 6.1274 6.1400 6.1400 6.2498 6.2498 6.3207 6.3207 6.5929 6.5929 6.5977 6.5977 6.9277 6.9277 6.9760 6.9760 7.2903 7.2903 7.3229 7.3229 7.6761 7.6761 7.6847 7.6847 8.0060 8.0060 8.0453 8.0453 8.7612 8.7612 8.7646 8.7646 11.8776 11.8776 11.9011 11.9011 12.7422 12.7422 12.7490 12.7490 k = 0.4048 0.5000 0.2076 ( 5300 PWs) bands (ev): 1.0395 1.0395 1.0405 1.0405 1.8128 1.8128 1.8185 1.8185 4.3534 4.3534 4.3683 4.3683 5.0529 5.0529 5.0638 5.0638 6.1298 6.1298 6.1427 6.1427 6.2502 6.2502 6.3127 6.3127 6.6041 6.6041 6.6122 6.6122 6.9486 6.9486 6.9982 6.9982 7.2822 7.2822 7.3176 7.3176 7.7034 7.7034 7.7110 7.7110 8.0017 8.0017 8.0381 8.0381 8.6978 8.6978 8.7014 8.7014 11.9127 11.9127 11.9336 11.9336 12.7651 12.7651 12.7655 12.7655 k = 0.4167 0.5000 0.2076 ( 5296 PWs) bands (ev): 1.0551 1.0551 1.0560 1.0560 1.8534 1.8534 1.8587 1.8587 4.3473 4.3473 4.3619 4.3619 4.9679 4.9679 4.9797 4.9797 6.1325 6.1325 6.1453 6.1453 6.2502 6.2502 6.3046 6.3046 6.6152 6.6152 6.6252 6.6252 6.9704 6.9704 7.0207 7.0207 7.2721 7.2721 7.3099 7.3099 7.7309 7.7309 7.7378 7.7378 8.0001 8.0001 8.0333 8.0333 8.6377 8.6377 8.6416 8.6416 11.9423 11.9423 11.9601 11.9601 12.7891 12.7891 12.7951 12.7951 k = 0.4286 0.5000 0.2076 ( 5300 PWs) bands (ev): 1.0689 1.0689 1.0697 1.0697 1.8905 1.8905 1.8954 1.8954 4.3446 4.3446 4.3589 4.3589 4.8889 4.8889 4.9012 4.9012 6.1353 6.1353 6.1475 6.1475 6.2501 6.2501 6.2968 6.2968 6.6258 6.6258 6.6366 6.6366 6.9925 6.9925 7.0429 7.0429 7.2602 7.2602 7.2999 7.2999 7.7584 7.7584 7.7648 7.7648 8.0005 8.0005 8.0301 8.0301 8.5818 8.5818 8.5857 8.5857 11.9660 11.9660 11.9808 11.9808 12.8199 12.8199 12.8321 12.8321 k = 0.4405 0.5000 0.2076 ( 5292 PWs) bands (ev): 1.0807 1.0807 1.0815 1.0815 1.9236 1.9236 1.9278 1.9278 4.3457 4.3457 4.3593 4.3593 4.8170 4.8170 4.8294 4.8294 6.1382 6.1382 6.1492 6.1492 6.2502 6.2502 6.2892 6.2892 6.6356 6.6356 6.6462 6.6462 7.0146 7.0146 7.0644 7.0644 7.2472 7.2472 7.2879 7.2879 7.7855 7.7855 7.7915 7.7915 8.0021 8.0021 8.0277 8.0277 8.5308 8.5308 8.5345 8.5345 11.9841 11.9841 11.9960 11.9960 12.8574 12.8574 12.8754 12.8754 k = 0.4524 0.5000 0.2076 ( 5300 PWs) bands (ev): 1.0906 1.0906 1.0912 1.0912 1.9519 1.9519 1.9554 1.9554 4.3503 4.3503 4.3630 4.3630 4.7534 4.7534 4.7653 4.7653 6.1410 6.1410 6.1505 6.1505 6.2506 6.2506 6.2820 6.2820 6.6445 6.6445 6.6540 6.6540 7.0364 7.0364 7.0842 7.0842 7.2340 7.2340 7.2743 7.2743 7.8113 7.8113 7.8169 7.8169 8.0041 8.0041 8.0256 8.0256 8.4859 8.4859 8.4893 8.4893 11.9974 11.9974 12.0064 12.0064 12.9004 12.9004 12.9235 12.9235 k = 0.4643 0.5000 0.2076 ( 5296 PWs) bands (ev): 1.0983 1.0983 1.0988 1.0988 1.9748 1.9748 1.9775 1.9775 4.3580 4.3580 4.3692 4.3692 4.6995 4.6995 4.7102 4.7102 6.1436 6.1436 6.1513 6.1513 6.2517 6.2517 6.2753 6.2753 6.6520 6.6520 6.6597 6.6597 7.0575 7.0575 7.1011 7.1011 7.2218 7.2218 7.2598 7.2598 7.8348 7.8348 7.8398 7.8398 8.0062 8.0062 8.0231 8.0231 8.4484 8.4484 8.4513 8.4513 12.0065 12.0065 12.0130 12.0130 12.9471 12.9471 12.9743 12.9743 k = 0.4762 0.5000 0.2076 ( 5296 PWs) bands (ev): 1.1040 1.1040 1.1043 1.1043 1.9918 1.9918 1.9936 1.9936 4.3676 4.3676 4.3764 4.3764 4.6578 4.6578 4.6663 4.6663 6.1460 6.1460 6.1514 6.1514 6.2534 6.2534 6.2693 6.2693 6.6580 6.6580 6.6634 6.6634 7.0773 7.0773 7.1126 7.1126 7.2134 7.2134 7.2448 7.2448 7.8545 7.8545 7.8584 7.8584 8.0081 8.0081 8.0200 8.0200 8.4201 8.4201 8.4221 8.4221 12.0125 12.0125 12.0167 12.0167 12.9950 12.9950 13.0249 13.0249 k = 0.4881 0.5000 0.2076 ( 5304 PWs) bands (ev): 1.1074 1.1074 1.1076 1.1076 2.0023 2.0023 2.0033 2.0033 4.3767 4.3767 4.3817 4.3817 4.6315 4.6315 4.6364 4.6364 6.1481 6.1481 6.1509 6.1509 6.2561 6.2561 6.2640 6.2640 6.6622 6.6622 6.6650 6.6650 7.0949 7.0949 7.1154 7.1154 7.2120 7.2120 7.2305 7.2305 7.8682 7.8682 7.8704 7.8704 8.0101 8.0101 8.0163 8.0163 8.4024 8.4024 8.4035 8.4035 12.0162 12.0162 12.0182 12.0182 13.0410 13.0410 13.0700 13.0700 k = 0.5000 0.5000 0.2076 ( 5304 PWs) bands (ev): 1.1086 1.1086 1.1086 1.1086 2.0062 2.0062 2.0062 2.0062 4.3821 4.3821 4.3821 4.3821 4.6240 4.6240 4.6240 4.6240 6.1497 6.1497 6.1497 6.1497 6.2596 6.2596 6.2596 6.2596 6.6646 6.6646 6.6646 6.6646 7.1086 7.1086 7.1086 7.1086 7.2185 7.2185 7.2185 7.2185 7.8739 7.8739 7.8739 7.8739 8.0128 8.0128 8.0128 8.0128 8.3967 8.3967 8.3967 8.3967 12.0180 12.0180 12.0180 12.0180 13.0785 13.0785 13.0785 13.0785 k = 0.5000 0.5000 0.2076 ( 5304 PWs) bands (ev): 1.1086 1.1086 1.1086 1.1086 2.0062 2.0062 2.0062 2.0062 4.3821 4.3821 4.3821 4.3821 4.6240 4.6240 4.6240 4.6240 6.1497 6.1497 6.1497 6.1497 6.2596 6.2596 6.2596 6.2596 6.6646 6.6646 6.6646 6.6646 7.1086 7.1086 7.1086 7.1086 7.2185 7.2185 7.2185 7.2185 7.8739 7.8739 7.8739 7.8739 8.0128 8.0128 8.0128 8.0128 8.3967 8.3967 8.3967 8.3967 12.0180 12.0180 12.0180 12.0180 13.0785 13.0785 13.0785 13.0785 k = 0.4915 0.4915 0.2076 ( 5304 PWs) bands (ev): 1.1072 1.1072 1.1078 1.1078 1.9979 1.9979 2.0076 2.0076 4.3741 4.3741 4.3841 4.3841 4.6313 4.6313 4.6369 4.6369 6.1479 6.1479 6.1511 6.1511 6.2561 6.2561 6.2641 6.2641 6.6622 6.6622 6.6651 6.6651 7.0944 7.0944 7.1163 7.1163 7.2099 7.2099 7.2323 7.2323 7.8614 7.8614 7.8773 7.8773 8.0102 8.0102 8.0162 8.0162 8.3968 8.3968 8.4091 8.4091 12.0162 12.0162 12.0183 12.0183 13.0374 13.0374 13.0825 13.0825 k = 0.4831 0.4831 0.2076 ( 5296 PWs) bands (ev): 1.1029 1.1029 1.1051 1.1051 1.9737 1.9737 2.0118 2.0118 4.3551 4.3551 4.3880 4.3880 4.6549 4.6549 4.6705 4.6705 6.1447 6.1447 6.1527 6.1527 6.2536 6.2536 6.2693 6.2693 6.6578 6.6578 6.6635 6.6635 7.0751 7.0751 7.1192 7.1192 7.1994 7.1994 7.2546 7.2546 7.8283 7.8283 7.8871 7.8871 8.0079 8.0079 8.0189 8.0189 8.3971 8.3971 8.4436 8.4436 12.0124 12.0124 12.0168 12.0168 12.9858 12.9858 13.0499 13.0499 k = 0.4746 0.4746 0.2076 ( 5296 PWs) bands (ev): 1.0957 1.0957 1.1005 1.1005 1.9352 1.9352 2.0188 2.0188 4.3293 4.3293 4.3943 4.3943 4.6886 4.6886 4.7248 4.7248 6.1397 6.1397 6.1550 6.1550 6.2521 6.2521 6.2752 6.2752 6.6515 6.6515 6.6600 6.6600 7.0539 7.0539 7.1196 7.1196 7.1846 7.1846 7.2833 7.2833 7.7818 7.7818 7.9030 7.9030 8.0037 8.0037 8.0216 8.0216 8.3977 8.3977 8.4948 8.4948 12.0064 12.0064 12.0133 12.0133 12.9328 12.9328 13.0011 13.0011 k = 0.4661 0.4661 0.2076 ( 5296 PWs) bands (ev): 1.0855 1.0855 1.0933 1.0933 1.8847 1.8847 2.0286 2.0286 4.3008 4.3008 4.4033 4.4033 4.7278 4.7278 4.7982 4.7982 6.1329 6.1329 6.1581 6.1581 6.2519 6.2519 6.2816 6.2816 6.6432 6.6432 6.6547 6.6547 7.0330 7.0330 7.1183 7.1183 7.1657 7.1657 7.3157 7.3157 7.7275 7.7275 7.9242 7.9242 7.9962 7.9962 8.0254 8.0254 8.3985 8.3985 8.5574 8.5574 11.9975 11.9975 12.0071 12.0071 12.8804 12.8804 12.9490 12.9490 k = 0.4576 0.4576 0.2076 ( 5300 PWs) bands (ev): 1.0724 1.0724 1.0828 1.0828 1.8252 1.8252 2.0412 2.0412 4.2721 4.2721 4.4147 4.4147 4.7703 4.7703 4.8883 4.8883 6.1244 6.1244 6.1620 6.1620 6.2527 6.2527 6.2885 6.2885 6.6329 6.6329 6.6481 6.6481 7.0135 7.0135 7.1140 7.1140 7.1448 7.1448 7.3503 7.3503 7.6690 7.6690 7.9492 7.9492 7.9861 7.9861 8.0308 8.0308 8.3995 8.3995 8.6275 8.6275 11.9852 11.9852 11.9975 11.9975 12.8290 12.8290 12.9005 12.9005 k = 0.4492 0.4492 0.2076 ( 5302 PWs) bands (ev): 1.0563 1.0563 1.0680 1.0680 1.7600 1.7600 2.0567 2.0567 4.2446 4.2446 4.4287 4.4287 4.8146 4.8146 4.9926 4.9926 6.1143 6.1143 6.1666 6.1666 6.2545 6.2545 6.2959 6.2959 6.6206 6.6206 6.6408 6.6408 6.9962 6.9962 7.1001 7.1001 7.1294 7.1294 7.3864 7.3864 7.6083 7.6083 7.9646 7.9646 7.9869 7.9869 8.0377 8.0377 8.4008 8.4008 8.7025 8.7025 11.9685 11.9685 11.9841 11.9841 12.7788 12.7788 12.8599 12.8599 k = 0.4407 0.4407 0.2076 ( 5310 PWs) bands (ev): 1.0370 1.0370 1.0473 1.0473 1.6925 1.6925 2.0749 2.0749 4.2193 4.2193 4.4451 4.4451 4.8598 4.8598 5.1085 5.1085 6.1026 6.1026 6.1717 6.1717 6.2572 6.2572 6.3037 6.3037 6.6062 6.6062 6.6335 6.6335 6.9812 6.9812 7.0736 7.0736 7.1233 7.1233 7.4235 7.4235 7.5467 7.5467 7.9521 7.9521 8.0171 8.0171 8.0462 8.0462 8.4024 8.4024 8.7805 8.7805 11.9465 11.9465 11.9673 11.9673 12.7296 12.7296 12.8300 12.8300 k = 0.4322 0.4322 0.2076 ( 5294 PWs) bands (ev): 1.0145 1.0145 1.0191 1.0191 1.6263 1.6263 2.0959 2.0959 4.1969 4.1969 4.4640 4.4640 4.9054 4.9054 5.2336 5.2336 6.0896 6.0896 6.1773 6.1773 6.2607 6.2607 6.3121 6.3121 6.5897 6.5897 6.6273 6.6273 6.9683 6.9683 7.0417 7.0417 7.1203 7.1203 7.4599 7.4599 7.4863 7.4863 7.9354 7.9354 8.0504 8.0504 8.0584 8.0584 8.4045 8.4045 8.8603 8.8603 11.9184 11.9184 11.9478 11.9478 12.6814 12.6814 12.8119 12.8119 k = 0.4237 0.4237 0.2076 ( 5294 PWs) bands (ev): 0.9809 0.9809 0.9892 0.9892 1.5650 1.5650 2.1197 2.1197 4.1779 4.1779 4.4854 4.4854 4.9509 4.9509 5.3657 5.3657 6.0751 6.0751 6.1831 6.1831 6.2647 6.2647 6.3211 6.3211 6.5713 6.5713 6.6230 6.6230 6.9568 6.9568 7.0082 7.0082 7.1179 7.1179 7.4219 7.4219 7.5011 7.5011 7.9178 7.9178 8.0650 8.0650 8.0932 8.0932 8.4069 8.4069 8.9406 8.9406 11.8847 11.8847 11.9264 11.9264 12.6345 12.6345 12.8054 12.8054 k = 0.4153 0.4153 0.2076 ( 5296 PWs) bands (ev): 0.9316 0.9316 0.9603 0.9603 1.5112 1.5112 2.1463 2.1463 4.1627 4.1627 4.5092 4.5092 4.9960 4.9960 5.5022 5.5022 6.0593 6.0593 6.1889 6.1889 6.2692 6.2692 6.3308 6.3308 6.5515 6.5515 6.6219 6.6219 6.9432 6.9432 6.9775 6.9775 7.1157 7.1157 7.3613 7.3613 7.5396 7.5396 7.9003 7.9003 8.0767 8.0767 8.1336 8.1336 8.4099 8.4099 9.0203 9.0203 11.8464 11.8464 11.9040 11.9040 12.5889 12.5889 12.8095 12.8095 k = 0.4068 0.4068 0.2076 ( 5286 PWs) bands (ev): 0.8706 0.8706 0.9283 0.9283 1.4666 1.4666 2.1757 2.1757 4.1516 4.1516 4.5353 4.5353 5.0402 5.0402 5.6403 5.6403 6.0423 6.0423 6.1947 6.1947 6.2740 6.2740 6.3410 6.3410 6.5307 6.5307 6.6251 6.6251 6.9196 6.9196 6.9587 6.9587 7.1135 7.1135 7.3018 7.3018 7.5785 7.5785 7.8837 7.8837 8.0892 8.0892 8.1754 8.1754 8.4135 8.4135 9.0985 9.0985 11.8051 11.8051 11.8818 11.8818 12.5449 12.5449 12.8226 12.8226 k = 0.3983 0.3983 0.2076 ( 5272 PWs) bands (ev): 0.7984 0.7984 0.8931 0.8931 1.4310 1.4310 2.2079 2.2079 4.1448 4.1448 4.5638 4.5638 5.0832 5.0832 5.7758 5.7758 6.0245 6.0245 6.2005 6.2005 6.2788 6.2788 6.3517 6.3517 6.5097 6.5097 6.6340 6.6340 6.8893 6.8893 6.9501 6.9501 7.1113 7.1113 7.2442 7.2442 7.6175 7.6175 7.8685 7.8685 8.1024 8.1024 8.2181 8.2181 8.4181 8.4181 9.1740 9.1740 11.7625 11.7625 11.8609 11.8609 12.5026 12.5026 12.8428 12.8428 k = 0.3898 0.3898 0.2076 ( 5268 PWs) bands (ev): 0.7170 0.7170 0.8548 0.8548 1.4034 1.4034 2.2428 2.2428 4.1424 4.1424 4.5946 4.5946 5.1247 5.1247 5.9024 5.9024 6.0068 6.0068 6.2068 6.2068 6.2834 6.2834 6.3625 6.3625 6.4892 6.4892 6.6481 6.6481 6.8637 6.8637 6.9445 6.9445 7.1090 7.1090 7.1896 7.1896 7.6562 7.6562 7.8555 7.8555 8.1161 8.1161 8.2610 8.2610 8.4237 8.4237 9.2459 9.2459 11.7200 11.7200 11.8427 11.8427 12.4619 12.4619 12.8682 12.8682 k = 0.3814 0.3814 0.2076 ( 5272 PWs) bands (ev): 0.6285 0.6285 0.8135 0.8135 1.3820 1.3820 2.2806 2.2806 4.1446 4.1446 4.6276 4.6276 5.1642 5.1642 5.9755 5.9755 6.0254 6.0254 6.2156 6.2156 6.2877 6.2877 6.3726 6.3726 6.4707 6.4707 6.6616 6.6616 6.8562 6.8562 6.9387 6.9387 7.1058 7.1058 7.1405 7.1405 7.6944 7.6944 7.8454 7.8454 8.1303 8.1303 8.3035 8.3035 8.4307 8.4307 9.3130 9.3130 11.6789 11.6789 11.8287 11.8287 12.4230 12.4230 12.8964 12.8964 k = 0.3729 0.3729 0.2076 ( 5268 PWs) bands (ev): 0.5350 0.5350 0.7692 0.7692 1.3651 1.3651 2.3211 2.3211 4.1514 4.1514 4.6629 4.6629 5.2015 5.2015 5.9595 5.9595 6.1029 6.1029 6.2328 6.2328 6.2924 6.2924 6.3813 6.3813 6.4561 6.4561 6.6611 6.6611 6.8863 6.8863 6.9303 6.9303 7.0900 7.0900 7.1111 7.1111 7.7314 7.7314 7.8393 7.8393 8.1446 8.1446 8.3448 8.3448 8.4401 8.4401 9.3741 9.3741 11.6402 11.6402 11.8201 11.8201 12.3859 12.3859 12.9200 12.9200 k = 0.3644 0.3644 0.2076 ( 5270 PWs) bands (ev): 0.4381 0.4381 0.7221 0.7221 1.3512 1.3512 2.3644 2.3644 4.1627 4.1627 4.7002 4.7002 5.2359 5.2359 5.9383 5.9383 6.1432 6.1432 6.2585 6.2585 6.3032 6.3032 6.3879 6.3879 6.4485 6.4485 6.6427 6.6427 6.9142 6.9142 6.9609 6.9609 7.0624 7.0624 7.1069 7.1069 7.7652 7.7652 7.8394 7.8394 8.1590 8.1590 8.3831 8.3831 8.4531 8.4531 9.4284 9.4284 11.6048 11.6048 11.8184 11.8184 12.3506 12.3506 12.9166 12.9166 k = 0.3559 0.3559 0.2076 ( 5270 PWs) bands (ev): 0.3392 0.3392 0.6725 0.6725 1.3394 1.3394 2.4105 2.4105 4.1785 4.1785 4.7396 4.7396 5.2668 5.2668 5.9166 5.9166 6.1544 6.1544 6.2681 6.2681 6.3264 6.3264 6.3973 6.3973 6.4497 6.4497 6.6151 6.6151 6.8910 6.8910 7.0220 7.0220 7.0914 7.0914 7.1076 7.1076 7.7916 7.7916 7.8503 7.8503 8.1732 8.1732 8.4154 8.4154 8.4728 8.4728 9.4749 9.4749 11.5733 11.5733 11.8247 11.8247 12.3170 12.3170 12.9016 12.9016 k = 0.3475 0.3475 0.2076 ( 5266 PWs) bands (ev): 0.2392 0.2392 0.6205 0.6205 1.3287 1.3287 2.4594 2.4594 4.1985 4.1985 4.7810 4.7810 5.2936 5.2936 5.8953 5.8953 6.1531 6.1531 6.2631 6.2631 6.3381 6.3381 6.4194 6.4194 6.4589 6.4589 6.5860 6.5860 6.8608 6.8608 7.0194 7.0194 7.1037 7.1037 7.2261 7.2261 7.8080 7.8080 7.8752 7.8752 8.1870 8.1870 8.4397 8.4397 8.5011 8.5011 9.5129 9.5129 11.5462 11.5462 11.8396 11.8396 12.2852 12.2852 12.8847 12.8847 k = 0.3390 0.3390 0.2076 ( 5266 PWs) bands (ev): 0.1389 0.1389 0.5662 0.5662 1.3186 1.3186 2.5110 2.5110 4.2225 4.2225 4.8244 4.8244 5.3153 5.3153 5.8754 5.8754 6.1454 6.1454 6.2515 6.2515 6.3354 6.3354 6.4461 6.4461 6.4752 6.4752 6.5610 6.5610 6.8282 6.8282 7.0170 7.0170 7.1036 7.1036 7.3811 7.3811 7.8203 7.8203 7.9081 7.9081 8.2001 8.2001 8.4589 8.4589 8.5349 8.5349 9.5420 9.5420 11.5238 11.5238 11.8637 11.8637 12.2551 12.2551 12.8673 12.8673 k = 0.3305 0.3305 0.2076 ( 5270 PWs) bands (ev): 0.0389 0.0389 0.5101 0.5101 1.3085 1.3085 2.5654 2.5654 4.2504 4.2504 4.8695 4.8695 5.3309 5.3309 5.8579 5.8579 6.1333 6.1333 6.2357 6.2357 6.3266 6.3266 6.4662 6.4662 6.4913 6.4913 6.5515 6.5515 6.7966 6.7966 7.0175 7.0175 7.1043 7.1043 7.5481 7.5481 7.8344 7.8344 7.9440 7.9440 8.2126 8.2126 8.4768 8.4768 8.5703 8.5703 9.5622 9.5622 11.5063 11.5063 11.8969 11.8969 12.2266 12.2266 12.8494 12.8494 k = 0.3220 0.3220 0.2076 ( 5272 PWs) bands (ev): -0.0604 -0.0604 0.4522 0.4522 1.2981 1.2981 2.6225 2.6225 4.2816 4.2816 4.9164 4.9164 5.3395 5.3395 5.8441 5.8441 6.1173 6.1173 6.2171 6.2171 6.3147 6.3147 6.4767 6.4767 6.4936 6.4936 6.5724 6.5724 6.7682 6.7682 7.0195 7.0195 7.1059 7.1059 7.7204 7.7204 7.8542 7.8542 7.9811 7.9811 8.2242 8.2242 8.4954 8.4954 8.6053 8.6053 9.5737 9.5737 11.4939 11.4939 11.9389 11.9389 12.1999 12.1999 12.8312 12.8312 k = 0.3136 0.3136 0.2076 ( 5276 PWs) bands (ev): -0.1586 -0.1586 0.3928 0.3928 1.2872 1.2872 2.6823 2.6823 4.3159 4.3159 4.9649 4.9649 5.3402 5.3402 5.8351 5.8351 6.0977 6.0977 6.1965 6.1965 6.3005 6.3005 6.4677 6.4677 6.5065 6.5065 6.6095 6.6095 6.7441 6.7441 7.0221 7.0221 7.1086 7.1086 7.8541 7.8541 7.9206 7.9206 8.0194 8.0194 8.2352 8.2352 8.5153 8.5153 8.6392 8.6392 9.5770 9.5770 11.4864 11.4864 11.9887 11.9887 12.1748 12.1748 12.8127 12.8127 k = 0.3051 0.3051 0.2076 ( 5270 PWs) bands (ev): -0.2555 -0.2555 0.3323 0.3323 1.2755 1.2755 2.7449 2.7449 4.3526 4.3526 5.0149 5.0149 5.3329 5.3329 5.8316 5.8316 6.0748 6.0748 6.1745 6.1745 6.2849 6.2849 6.4549 6.4549 6.5244 6.5244 6.6524 6.6524 6.7247 6.7247 7.0248 7.0248 7.1127 7.1127 7.8900 7.8900 8.0485 8.0485 8.1003 8.1003 8.2470 8.2470 8.5368 8.5368 8.6714 8.6714 9.5730 9.5730 11.4836 11.4836 12.0444 12.0444 12.1521 12.1521 12.7938 12.7938 k = 0.2966 0.2966 0.2076 ( 5278 PWs) bands (ev): -0.3508 -0.3508 0.2708 0.2708 1.2628 1.2628 2.8103 2.8103 4.3913 4.3913 5.0661 5.0661 5.3180 5.3180 5.8339 5.8339 6.0490 6.0490 6.1517 6.1517 6.2687 6.2687 6.4438 6.4438 6.5440 6.5440 6.6988 6.6988 6.7099 6.7099 7.0270 7.0270 7.1182 7.1182 7.9214 7.9214 8.0890 8.0890 8.2386 8.2386 8.2983 8.2983 8.5599 8.5599 8.7022 8.7022 9.5627 9.5627 11.4853 11.4853 12.0967 12.0967 12.1396 12.1396 12.7745 12.7745 k = 0.2881 0.2881 0.2076 ( 5276 PWs) bands (ev): -0.4443 -0.4443 0.2086 0.2086 1.2491 1.2491 2.8783 2.8783 4.4310 4.4310 5.1185 5.1185 5.2969 5.2969 5.8416 5.8416 6.0206 6.0206 6.1287 6.1287 6.2520 6.2520 6.4351 6.4351 6.5649 6.5649 6.6993 6.6993 6.7481 6.7481 7.0286 7.0286 7.1252 7.1252 7.9562 7.9562 8.1257 8.1257 8.2567 8.2567 8.4732 8.4732 8.5845 8.5845 8.7324 8.7324 9.5470 9.5470 11.4909 11.4909 12.0969 12.0969 12.1843 12.1843 12.7547 12.7547 k = 0.2797 0.2797 0.2076 ( 5272 PWs) bands (ev): -0.5360 -0.5360 0.1459 0.1459 1.2343 1.2343 2.9491 2.9491 4.4709 4.4709 5.1711 5.1711 5.2719 5.2719 5.8540 5.8540 5.9904 5.9904 6.1058 6.1058 6.2350 6.2350 6.4292 6.4292 6.5872 6.5872 6.6921 6.6921 6.8003 6.8003 7.0296 7.0296 7.1337 7.1337 7.9951 7.9951 8.1618 8.1618 8.2657 8.2657 8.6105 8.6105 8.6498 8.6498 8.7684 8.7684 9.5270 9.5270 11.4999 11.4999 12.0776 12.0776 12.2521 12.2521 12.7342 12.7342 k = 0.2712 0.2712 0.2076 ( 5268 PWs) bands (ev): -0.6256 -0.6256 0.0829 0.0829 1.2184 1.2184 3.0225 3.0225 4.5096 4.5096 5.2166 5.2166 5.2526 5.2526 5.8702 5.8702 5.9589 5.9589 6.0834 6.0834 6.2177 6.2177 6.4260 6.4260 6.6107 6.6107 6.6878 6.6878 6.8551 6.8551 7.0301 7.0301 7.1434 7.1434 8.0378 8.0378 8.1972 8.1972 8.2738 8.2738 8.6377 8.6377 8.7553 8.7553 8.8733 8.8733 9.5039 9.5039 11.5116 11.5116 12.0566 12.0566 12.3228 12.3228 12.7132 12.7132 k = 0.2627 0.2627 0.2076 ( 5252 PWs) bands (ev): -0.7130 -0.7130 0.0200 0.0200 1.2014 1.2014 3.0986 3.0986 4.5456 4.5456 5.2074 5.2074 5.2887 5.2887 5.8885 5.8885 5.9279 5.9279 6.0618 6.0618 6.2002 6.2002 6.4257 6.4257 6.6354 6.6354 6.6856 6.6856 6.9126 6.9126 7.0302 7.0302 7.1544 7.1544 8.0833 8.0833 8.2321 8.2321 8.2824 8.2824 8.6658 8.6658 8.7872 8.7872 9.0484 9.0484 9.4790 9.4790 11.5251 11.5251 12.0349 12.0349 12.3935 12.3935 12.6915 12.6915 k = 0.2542 0.2542 0.2076 ( 5256 PWs) bands (ev): -0.7982 -0.7982 -0.0428 -0.0428 1.1832 1.1832 3.1773 3.1773 4.5768 4.5768 5.1831 5.1831 5.3432 5.3432 5.8885 5.8885 5.9176 5.9176 6.0410 6.0410 6.1825 6.1825 6.4282 6.4282 6.6613 6.6613 6.6850 6.6850 6.9725 6.9725 7.0299 7.0299 7.1664 7.1664 8.1303 8.1303 8.2663 8.2663 8.2926 8.2926 8.6946 8.6946 8.8089 8.8089 9.2287 9.2287 9.4539 9.4539 11.5396 11.5396 12.0123 12.0123 12.4624 12.4624 12.6690 12.6690 k = 0.2458 0.2458 0.2076 ( 5262 PWs) bands (ev): -0.8811 -0.8811 -0.1052 -0.1052 1.1640 1.1640 3.2587 3.2587 4.6005 4.6005 5.1632 5.1632 5.3995 5.3995 5.8584 5.8584 5.9393 5.9393 6.0219 6.0219 6.1647 6.1647 6.4332 6.4332 6.6855 6.6855 6.6885 6.6885 7.0290 7.0290 7.0348 7.0348 7.1797 7.1797 8.1756 8.1756 8.3000 8.3000 8.3069 8.3069 8.7239 8.7239 8.8271 8.8271 9.3932 9.3932 9.4429 9.4429 11.5545 11.5545 11.9878 11.9878 12.5274 12.5274 12.6458 12.6458 k = 0.2373 0.2373 0.2076 ( 5274 PWs) bands (ev): -0.9617 -0.9617 -0.1669 -0.1669 1.1438 1.1438 3.3427 3.3427 4.6143 4.6143 5.1515 5.1515 5.4562 5.4562 5.8267 5.8267 5.9622 5.9622 6.0069 6.0069 6.1470 6.1470 6.4406 6.4406 6.6871 6.6871 6.7167 6.7167 7.0289 7.0289 7.0968 7.0968 7.1954 7.1954 8.2143 8.2143 8.3281 8.3281 8.3347 8.3347 8.7535 8.7535 8.8431 8.8431 9.3974 9.3974 9.5898 9.5898 11.5690 11.5690 11.9604 11.9604 12.5853 12.5853 12.6234 12.6234 k = 0.2288 0.2288 0.2076 ( 5282 PWs) bands (ev): -1.0397 -1.0397 -0.2280 -0.2280 1.1227 1.1227 3.4293 3.4293 4.6162 4.6162 5.1502 5.1502 5.5130 5.5130 5.7954 5.7954 5.9692 5.9692 6.0112 6.0112 6.1296 6.1296 6.4503 6.4503 6.6894 6.6894 6.7459 6.7459 7.0287 7.0287 7.1549 7.1549 7.2180 7.2180 8.2413 8.2413 8.3582 8.3582 8.3719 8.3719 8.7830 8.7830 8.8574 8.8574 9.3770 9.3770 9.7591 9.7591 11.5829 11.5829 11.9282 11.9282 12.5919 12.5919 12.6413 12.6413 k = 0.2203 0.2203 0.2076 ( 5278 PWs) bands (ev): -1.1153 -1.1153 -0.2880 -0.2880 1.1008 1.1008 3.5185 3.5185 4.6060 4.6060 5.1599 5.1599 5.5693 5.5693 5.7653 5.7653 5.9568 5.9568 6.0380 6.0380 6.1127 6.1127 6.4621 6.4621 6.6926 6.6926 6.7760 6.7760 7.0290 7.0290 7.1943 7.1943 7.2618 7.2618 8.2580 8.2580 8.3897 8.3897 8.4162 8.4162 8.8122 8.8122 8.8702 8.8702 9.3602 9.3602 9.9229 9.9229 11.5962 11.5962 11.8885 11.8885 12.5594 12.5594 12.6010 12.6010 k = 0.2119 0.2119 0.2076 ( 5268 PWs) bands (ev): -1.1883 -1.1883 -0.3470 -0.3470 1.0782 1.0782 3.6102 3.6102 4.5850 4.5850 5.1791 5.1791 5.6240 5.6240 5.7372 5.7372 5.9413 5.9413 6.0704 6.0704 6.0968 6.0968 6.4757 6.4757 6.6966 6.6966 6.8067 6.8067 7.0302 7.0302 7.2158 7.2158 7.3255 7.3255 8.2687 8.2687 8.4194 8.4194 8.4646 8.4646 8.8407 8.8407 8.8820 8.8820 9.3499 9.3499 10.0791 10.0791 11.6093 11.6093 11.8373 11.8373 12.4570 12.4570 12.5477 12.5477 k = 0.2034 0.2034 0.2076 ( 5266 PWs) bands (ev): -1.2587 -1.2587 -0.4047 -0.4047 1.0551 1.0551 3.7043 3.7043 4.5555 4.5555 5.2054 5.2054 5.6708 5.6708 5.7172 5.7172 5.9260 5.9260 6.0788 6.0788 6.1080 6.1080 6.4911 6.4911 6.7018 6.7018 6.8374 6.8374 7.0329 7.0329 7.2320 7.2320 7.3960 7.3960 8.2765 8.2765 8.4471 8.4471 8.5113 8.5113 8.8677 8.8677 8.8934 8.8934 9.3486 9.3486 10.2261 10.2261 11.6233 11.6233 11.7694 11.7694 12.3402 12.3402 12.5188 12.5188 k = 0.1949 0.1949 0.2076 ( 5270 PWs) bands (ev): -1.3265 -1.3265 -0.4611 -0.4611 1.0315 1.0315 3.8009 3.8009 4.5201 4.5201 5.2364 5.2364 5.6708 5.6708 5.7434 5.7434 5.9121 5.9121 6.0638 6.0638 6.1447 6.1447 6.5083 6.5083 6.7083 6.7083 6.8672 6.8672 7.0381 7.0381 7.2466 7.2466 7.4693 7.4693 8.2828 8.2828 8.4727 8.4727 8.5522 8.5522 8.8906 8.8906 8.9068 8.9068 9.3591 9.3591 10.3621 10.3621 11.6387 11.6387 11.6812 11.6812 12.2409 12.2409 12.4908 12.4908 k = 0.1864 0.1864 0.2076 ( 5274 PWs) bands (ev): -1.3917 -1.3917 -0.5159 -0.5159 1.0076 1.0076 3.8999 3.8999 4.4808 4.4808 5.2700 5.2700 5.6479 5.6479 5.7902 5.7902 5.9010 5.9010 6.0492 6.0492 6.1825 6.1825 6.5274 6.5274 6.7167 6.7167 6.8945 6.8945 7.0475 7.0475 7.2605 7.2605 7.5439 7.5439 8.2884 8.2884 8.4960 8.4960 8.5842 8.5842 8.9047 8.9047 8.9269 8.9269 9.3836 9.3836 10.4854 10.4854 11.5676 11.5676 11.6620 11.6620 12.1623 12.1623 12.4629 12.4629 k = 0.1780 0.1780 0.2076 ( 5266 PWs) bands (ev): -1.4541 -1.4541 -0.5690 -0.5690 0.9836 0.9836 4.0013 4.0013 4.4392 4.4392 5.3045 5.3045 5.6240 5.6240 5.8294 5.8294 5.8990 5.8990 6.0354 6.0354 6.2202 6.2202 6.5483 6.5483 6.7277 6.7277 6.9172 6.9172 7.0632 7.0632 7.2741 7.2741 7.6190 7.6190 8.2937 8.2937 8.5165 8.5165 8.6054 8.6054 8.9138 8.9138 8.9495 8.9495 9.4237 9.4237 10.5946 10.5946 11.4394 11.4394 11.6888 11.6888 12.1012 12.1012 12.4351 12.4351 k = 0.1695 0.1695 0.2076 ( 5266 PWs) bands (ev): -1.5138 -1.5138 -0.6204 -0.6204 0.9596 0.9596 4.1048 4.1048 4.3964 4.3964 5.3389 5.3389 5.6010 5.6010 5.8435 5.8435 5.9211 5.9211 6.0228 6.0228 6.2563 6.2563 6.5712 6.5712 6.7420 6.7420 6.9337 6.9337 7.0866 7.0866 7.2874 7.2874 7.6941 7.6941 8.2989 8.2989 8.5335 8.5335 8.6157 8.6157 8.9210 8.9210 8.9710 8.9710 9.4790 9.4790 10.6885 10.6885 11.2999 11.2999 11.7238 11.7238 12.0525 12.0525 12.4077 12.4077 k = 0.1610 0.1610 0.2076 ( 5246 PWs) bands (ev): -1.5707 -1.5707 -0.6698 -0.6698 0.9358 0.9358 4.2106 4.2106 4.3534 4.3534 5.3724 5.3724 5.5792 5.5792 5.8389 5.8389 5.9581 5.9581 6.0140 6.0140 6.2896 6.2896 6.5958 6.5958 6.7607 6.7607 6.9443 6.9443 7.1177 7.1177 7.3005 7.3005 7.7685 7.7685 8.3043 8.3043 8.5463 8.5463 8.6163 8.6163 8.9272 8.9272 8.9904 8.9904 9.5484 9.5484 10.7671 10.7671 11.1552 11.1552 11.7675 11.7675 12.0115 12.0115 12.3810 12.3810 k = 0.1525 0.1525 0.2076 ( 5258 PWs) bands (ev): -1.6248 -1.6248 -0.7174 -0.7174 0.9122 0.9122 4.3108 4.3108 4.3185 4.3185 5.4043 5.4043 5.5589 5.5589 5.8296 5.8296 5.9798 5.9798 6.0246 6.0246 6.3189 6.3189 6.6216 6.6216 6.7851 6.7851 6.9502 6.9502 7.1548 7.1548 7.3132 7.3132 7.8417 7.8417 8.3100 8.3100 8.5538 8.5538 8.6092 8.6092 8.9324 8.9324 9.0071 9.0071 9.6297 9.6297 10.8313 10.8313 11.0099 11.0099 11.8196 11.8196 11.9752 11.9752 12.3553 12.3553 k = 0.1441 0.1441 0.2076 ( 5262 PWs) bands (ev): -1.6761 -1.6761 -0.7628 -0.7628 0.8891 0.8891 4.2690 4.2690 4.4283 4.4283 5.4340 5.4340 5.5404 5.5404 5.8194 5.8194 5.9754 5.9754 6.0614 6.0614 6.3433 6.3433 6.6479 6.6479 6.8163 6.8163 6.9532 6.9532 7.1962 7.1962 7.3259 7.3259 7.9132 7.9132 8.3160 8.3160 8.5546 8.5546 8.5966 8.5966 8.9366 8.9366 9.0208 9.0208 9.7207 9.7207 10.8669 10.8669 10.8843 10.8843 11.8776 11.8776 11.9420 11.9420 12.3310 12.3310 k = 0.1356 0.1356 0.2076 ( 5262 PWs) bands (ev): -1.7246 -1.7246 -0.8060 -0.8060 0.8665 0.8665 4.2285 4.2285 4.5400 4.5400 5.4598 5.4598 5.5254 5.5254 5.8094 5.8094 5.9660 5.9660 6.1024 6.1024 6.3627 6.3627 6.6736 6.6736 6.8550 6.8550 6.9543 6.9543 7.2401 7.2401 7.3387 7.3387 7.9823 7.9823 8.3227 8.3227 8.5472 8.5472 8.5806 8.5806 8.9397 8.9397 9.0312 9.0312 9.8193 9.8193 10.7306 10.7306 10.9272 10.9272 11.9050 11.9050 11.9449 11.9449 12.3085 12.3085 k = 0.1271 0.1271 0.2076 ( 5258 PWs) bands (ev): -1.7703 -1.7703 -0.8471 -0.8471 0.8446 0.8446 4.1894 4.1894 4.6534 4.6534 5.4759 5.4759 5.5196 5.5196 5.7998 5.7998 5.9559 5.9559 6.1425 6.1425 6.3772 6.3772 6.6980 6.6980 6.9008 6.9008 6.9542 6.9542 7.2848 7.2848 7.3528 7.3528 8.0486 8.0486 8.3300 8.3300 8.5311 8.5311 8.5617 8.5617 8.9416 8.9416 9.0378 9.0378 9.9240 9.9240 10.6020 10.6020 10.9649 10.9649 11.8745 11.8745 12.0072 12.0072 12.2881 12.2881 k = 0.1186 0.1186 0.2076 ( 5268 PWs) bands (ev): -1.8131 -1.8131 -0.8858 -0.8858 0.8236 0.8236 4.1522 4.1522 4.7682 4.7682 5.4736 5.4736 5.5317 5.5317 5.7909 5.7909 5.9461 5.9461 6.1808 6.1808 6.3875 6.3875 6.7210 6.7210 6.9506 6.9506 6.9555 6.9555 7.3254 7.3254 7.3718 7.3718 8.1117 8.1117 8.3383 8.3383 8.5079 8.5079 8.5382 8.5382 8.9419 8.9419 9.0406 9.0406 10.0331 10.0331 10.4836 10.4836 11.0001 11.0001 11.8427 11.8427 12.0693 12.0693 12.2703 12.2703 k = 0.1102 0.1102 0.2076 ( 5264 PWs) bands (ev): -1.8530 -1.8530 -0.9221 -0.9221 0.8034 0.8034 4.1169 4.1169 4.8842 4.8842 5.4627 5.4627 5.5519 5.5519 5.7827 5.7827 5.9367 5.9367 6.2167 6.2167 6.3943 6.3943 6.7426 6.7426 6.9520 6.9520 7.0094 7.0094 7.3524 7.3524 7.4050 7.4050 8.1711 8.1711 8.3474 8.3474 8.4785 8.4785 8.5090 8.5090 8.9406 8.9406 9.0391 9.0391 10.1455 10.1455 10.3775 10.3775 11.0353 11.0353 11.8107 11.8107 12.1268 12.1268 12.2557 12.2557 k = 0.1017 0.1017 0.2076 ( 5260 PWs) bands (ev): -1.8900 -1.8900 -0.9560 -0.9560 0.7843 0.7843 4.0838 4.0838 5.0011 5.0011 5.4505 5.4505 5.5727 5.5727 5.7752 5.7752 5.9279 5.9279 6.2502 6.2502 6.3984 6.3984 6.7630 6.7630 6.9507 6.9507 7.0689 7.0689 7.3676 7.3676 7.4497 7.4497 8.2263 8.2263 8.3569 8.3569 8.4412 8.4412 8.4766 8.4766 8.9372 8.9372 9.0333 9.0333 10.2541 10.2541 10.2909 10.2909 11.0724 11.0724 11.7787 11.7787 12.1757 12.1757 12.2463 12.2463 k = 0.0932 0.0932 0.2076 ( 5260 PWs) bands (ev): -1.9241 -1.9241 -0.9873 -0.9873 0.7664 0.7664 4.0529 4.0529 5.1185 5.1185 5.4387 5.4387 5.5926 5.5926 5.7687 5.7687 5.9196 5.9196 6.2809 6.2809 6.4005 6.4005 6.7821 6.7821 6.9494 6.9494 7.1300 7.1300 7.3786 7.3786 7.4975 7.4975 8.2767 8.2767 8.3588 8.3588 8.4001 8.4001 8.4458 8.4458 8.9318 8.9318 9.0231 9.0231 10.2028 10.2028 10.3800 10.3800 11.1128 11.1128 11.7469 11.7469 12.2051 12.2051 12.2512 12.2512 k = 0.0847 0.0847 0.2076 ( 5262 PWs) bands (ev): -1.9553 -1.9553 -1.0161 -1.0161 0.7497 0.7497 4.0244 4.0244 5.2358 5.2358 5.4278 5.4278 5.6109 5.6109 5.7630 5.7630 5.9119 5.9119 6.3088 6.3088 6.4013 6.4013 6.7998 6.7998 6.9482 6.9482 7.1916 7.1916 7.3878 7.3878 7.5454 7.5454 8.3109 8.3109 8.3236 8.3236 8.3922 8.3922 8.4219 8.4219 8.9240 8.9240 9.0085 9.0085 10.1382 10.1382 10.4971 10.4971 11.1572 11.1572 11.7157 11.7157 12.2088 12.2088 12.2754 12.2754 k = 0.0763 0.0763 0.2076 ( 5266 PWs) bands (ev): -1.9835 -1.9835 -1.0423 -1.0423 0.7343 0.7343 3.9983 3.9983 5.3522 5.3522 5.4181 5.4181 5.6275 5.6275 5.7585 5.7585 5.9048 5.9048 6.3334 6.3334 6.4016 6.4016 6.8160 6.8160 6.9475 6.9475 7.2526 7.2526 7.3960 7.3960 7.5920 7.5920 8.2393 8.2393 8.3574 8.3574 8.3800 8.3800 8.4277 8.4277 8.9139 8.9139 8.9896 8.9896 10.0866 10.0866 10.6148 10.6148 11.2059 11.2059 11.6853 11.6853 12.2049 12.2049 12.2994 12.2994 k = 0.0678 0.0678 0.2076 ( 5262 PWs) bands (ev): -2.0088 -2.0088 -1.0659 -1.0659 0.7203 0.7203 3.9748 3.9748 5.4082 5.4082 5.4680 5.4680 5.6424 5.6424 5.7551 5.7551 5.8983 5.8983 6.3537 6.3537 6.4027 6.4027 6.8302 6.8302 6.9474 6.9474 7.3117 7.3117 7.4032 7.4032 7.6362 7.6362 8.1559 8.1559 8.3470 8.3470 8.3950 8.3950 8.4537 8.4537 8.9015 8.9015 8.9666 8.9666 10.0467 10.0467 10.7320 10.7320 11.2585 11.2585 11.6562 11.6562 12.1990 12.1990 12.2781 12.2781 k = 0.0593 0.0593 0.2076 ( 5254 PWs) bands (ev): -2.0312 -2.0312 -1.0868 -1.0868 0.7078 0.7078 3.9540 3.9540 5.4006 5.4006 5.5787 5.5787 5.6560 5.6560 5.7533 5.7533 5.8925 5.8925 6.3678 6.3678 6.4068 6.4068 6.8424 6.8424 6.9480 6.9480 7.3680 7.3680 7.4095 7.4095 7.6774 7.6774 8.0667 8.0667 8.3197 8.3197 8.4223 8.4223 8.4853 8.4853 8.8869 8.8869 8.9399 8.9399 10.0171 10.0171 10.8480 10.8480 11.3144 11.3144 11.6291 11.6291 12.1822 12.1822 12.2274 12.2274 k = 0.0508 0.0508 0.2076 ( 5250 PWs) bands (ev): -2.0505 -2.0505 -1.1049 -1.1049 0.6969 0.6969 3.9358 3.9358 5.3938 5.3938 5.6586 5.6586 5.6926 5.6926 5.7542 5.7542 5.8873 5.8873 6.3743 6.3743 6.4156 6.4156 6.8524 6.8524 6.9494 6.9494 7.4146 7.4146 7.4209 7.4209 7.7144 7.7144 7.9755 7.9755 8.2924 8.2924 8.4496 8.4496 8.5182 8.5182 8.8702 8.8702 8.9098 8.9098 9.9959 9.9959 10.9621 10.9621 11.3722 11.3722 11.6044 11.6044 12.1294 12.1294 12.2089 12.2089 k = 0.0424 0.0424 0.2076 ( 5250 PWs) bands (ev): -2.0669 -2.0669 -1.1203 -1.1203 0.6875 0.6875 3.9203 3.9203 5.3880 5.3880 5.6704 5.6704 5.7471 5.7471 5.7979 5.7979 5.8828 5.8828 6.3757 6.3757 6.4268 6.4268 6.8601 6.8601 6.9516 6.9516 7.4197 7.4197 7.4673 7.4673 7.7466 7.7466 7.8865 7.8865 8.2664 8.2664 8.4783 8.4783 8.5503 8.5503 8.8516 8.8516 8.8772 8.8772 9.9812 9.9812 11.0735 11.0735 11.4300 11.4300 11.5831 11.5831 12.0597 12.0597 12.2029 12.2029 k = 0.0339 0.0339 0.2076 ( 5240 PWs) bands (ev): -2.0804 -2.0804 -1.1329 -1.1329 0.6798 0.6798 3.9076 3.9076 5.3833 5.3833 5.6766 5.6766 5.7510 5.7510 5.8790 5.8790 5.8876 5.8876 6.3751 6.3751 6.4376 6.4376 6.8658 6.8658 6.9541 6.9541 7.4236 7.4236 7.5066 7.5066 7.7719 7.7719 7.8064 7.8064 8.2425 8.2425 8.5088 8.5088 8.5809 8.5809 8.8296 8.8296 8.8445 8.8445 9.9716 9.9716 11.1812 11.1812 11.4849 11.4849 11.5663 11.5663 11.9843 11.9843 12.1972 12.1972 k = 0.0254 0.0254 0.2076 ( 5228 PWs) bands (ev): -2.0908 -2.0908 -1.1428 -1.1428 0.6737 0.6737 3.8977 3.8977 5.3797 5.3797 5.6806 5.6806 5.7532 5.7532 5.8760 5.8760 5.9667 5.9667 6.3738 6.3738 6.4466 6.4466 6.8696 6.8696 6.9567 6.9567 7.4267 7.4267 7.5350 7.5350 7.7346 7.7346 7.7972 7.7972 8.2219 8.2219 8.5407 8.5407 8.6095 8.6095 8.7987 8.7987 8.8193 8.8193 9.9655 9.9655 11.2833 11.2833 11.5288 11.5288 11.5603 11.5603 11.9056 11.9056 12.1898 12.1898 k = 0.0169 0.0169 0.2076 ( 5228 PWs) bands (ev): -2.0983 -2.0983 -1.1498 -1.1498 0.6694 0.6694 3.8906 3.8906 5.3771 5.3771 5.6830 5.6830 5.7550 5.7550 5.8738 5.8738 6.0287 6.0287 6.3727 6.3727 6.4532 6.4532 6.8720 6.8720 6.9590 6.9590 7.4290 7.4290 7.5479 7.5479 7.6897 7.6897 7.8122 7.8122 8.2057 8.2057 8.5722 8.5722 8.6359 8.6359 8.7623 8.7623 8.8005 8.8005 9.9620 9.9620 11.3751 11.3751 11.5404 11.5404 11.5855 11.5855 11.8256 11.8256 12.1809 12.1809 k = 0.0085 0.0085 0.2076 ( 5220 PWs) bands (ev): -2.1028 -2.1028 -1.1541 -1.1541 0.6668 0.6668 3.8863 3.8863 5.3756 5.3756 5.6842 5.6842 5.7563 5.7563 5.8724 5.8724 6.0687 6.0687 6.3719 6.3719 6.4573 6.4573 6.8733 6.8733 6.9605 6.9605 7.4305 7.4305 7.5460 7.5460 7.6700 7.6700 7.8214 7.8214 8.1953 8.1953 8.5983 8.5983 8.6607 8.6607 8.7264 8.7264 8.7869 8.7869 9.9602 9.9602 11.4421 11.4421 11.5529 11.5529 11.6132 11.6132 11.7501 11.7501 12.1732 12.1732 k = 0.0000 0.0000 0.2076 ( 5214 PWs) bands (ev): -2.1043 -2.1043 -1.1555 -1.1555 0.6659 0.6659 3.8849 3.8849 5.3751 5.3751 5.6846 5.6846 5.7568 5.7568 5.8720 5.8720 6.0825 6.0825 6.3716 6.3716 6.4587 6.4587 6.8737 6.8737 6.9610 6.9610 7.4310 7.4310 7.5425 7.5425 7.6658 7.6658 7.8245 7.8245 8.1917 8.1917 8.6093 8.6093 8.6802 8.6802 8.7016 8.7016 8.7817 8.7817 9.9596 9.9596 11.4640 11.4640 11.5703 11.5703 11.6272 11.6272 11.7079 11.7079 12.1701 12.1701 k = 0.0000 0.5000-0.0000 ( 5228 PWs) bands (ev): 0.2628 0.2628 0.2628 0.2628 0.9588 0.9588 0.9588 0.9588 4.3426 4.3426 4.3426 4.3426 5.9949 5.9949 5.9949 5.9949 6.1313 6.1313 6.1313 6.1313 6.4906 6.4906 6.4906 6.4906 6.6230 6.6230 6.6230 6.6230 6.9250 6.9250 6.9250 6.9250 8.1684 8.1684 8.1684 8.1684 8.7255 8.7255 8.7255 8.7255 8.9587 8.9587 8.9587 8.9587 9.9741 9.9741 9.9741 9.9741 11.0924 11.0924 11.0924 11.0924 12.6144 12.6144 12.6144 12.6144 k = 0.0000 0.5000 0.0115 ( 5228 PWs) bands (ev): 0.2633 0.2633 0.2633 0.2633 0.9578 0.9578 0.9578 0.9578 4.3447 4.3447 4.3447 4.3447 5.9945 5.9945 5.9945 5.9945 6.1310 6.1310 6.1310 6.1310 6.4909 6.4909 6.4909 6.4909 6.6235 6.6235 6.6235 6.6235 6.9250 6.9250 6.9250 6.9250 8.1554 8.1554 8.1554 8.1554 8.7246 8.7246 8.7246 8.7246 8.9693 8.9693 8.9693 8.9693 9.9762 9.9762 9.9762 9.9762 11.0970 11.0970 11.0970 11.0970 12.6145 12.6145 12.6145 12.6145 k = 0.0000 0.5000 0.0231 ( 5244 PWs) bands (ev): 0.2650 0.2650 0.2650 0.2650 0.9547 0.9547 0.9547 0.9547 4.3510 4.3510 4.3510 4.3510 5.9934 5.9934 5.9934 5.9934 6.1301 6.1301 6.1301 6.1301 6.4917 6.4917 6.4917 6.4917 6.6248 6.6248 6.6248 6.6248 6.9249 6.9249 6.9249 6.9249 8.1188 8.1188 8.1188 8.1188 8.7219 8.7219 8.7219 8.7219 8.9990 8.9990 8.9990 8.9990 9.9824 9.9824 9.9824 9.9824 11.1106 11.1106 11.1106 11.1106 12.6149 12.6149 12.6149 12.6149 k = 0.0000 0.5000 0.0346 ( 5236 PWs) bands (ev): 0.2677 0.2677 0.2677 0.2677 0.9497 0.9497 0.9497 0.9497 4.3614 4.3614 4.3614 4.3614 5.9915 5.9915 5.9915 5.9915 6.1287 6.1287 6.1287 6.1287 6.4931 6.4931 6.4931 6.4931 6.6270 6.6270 6.6270 6.6270 6.9249 6.9249 6.9249 6.9249 8.0639 8.0639 8.0639 8.0639 8.7175 8.7175 8.7175 8.7175 9.0425 9.0425 9.0425 9.0425 9.9925 9.9925 9.9925 9.9925 11.1334 11.1334 11.1334 11.1334 12.6155 12.6155 12.6155 12.6155 k = 0.0000 0.5000 0.0461 ( 5246 PWs) bands (ev): 0.2715 0.2715 0.2715 0.2715 0.9428 0.9428 0.9428 0.9428 4.3756 4.3756 4.3756 4.3756 5.9888 5.9888 5.9888 5.9888 6.1268 6.1268 6.1268 6.1268 6.4949 6.4949 6.4949 6.4949 6.6303 6.6303 6.6303 6.6303 6.9248 6.9248 6.9248 6.9248 7.9962 7.9962 7.9962 7.9962 8.7116 8.7116 8.7116 8.7116 9.0940 9.0940 9.0940 9.0940 10.0062 10.0062 10.0062 10.0062 11.1653 11.1653 11.1653 11.1653 12.6163 12.6163 12.6163 12.6163 k = 0.0000 0.5000 0.0577 ( 5266 PWs) bands (ev): 0.2763 0.2763 0.2763 0.2763 0.9343 0.9343 0.9343 0.9343 4.3934 4.3934 4.3934 4.3934 5.9852 5.9852 5.9852 5.9852 6.1245 6.1245 6.1245 6.1245 6.4970 6.4970 6.4970 6.4970 6.6346 6.6346 6.6346 6.6346 6.9246 6.9246 6.9246 6.9246 7.9206 7.9206 7.9206 7.9206 8.7044 8.7044 8.7044 8.7044 9.1491 9.1491 9.1491 9.1491 10.0231 10.0231 10.0231 10.0231 11.2060 11.2060 11.2060 11.2060 12.6173 12.6173 12.6173 12.6173 k = 0.0000 0.5000 0.0692 ( 5262 PWs) bands (ev): 0.2819 0.2819 0.2819 0.2819 0.9243 0.9243 0.9243 0.9243 4.4143 4.4143 4.4143 4.4143 5.9808 5.9808 5.9808 5.9808 6.1220 6.1220 6.1220 6.1220 6.4994 6.4994 6.4994 6.4994 6.6401 6.6401 6.6401 6.6401 6.9245 6.9245 6.9245 6.9245 7.8405 7.8405 7.8405 7.8405 8.6962 8.6962 8.6962 8.6962 9.2043 9.2043 9.2043 9.2043 10.0427 10.0427 10.0427 10.0427 11.2553 11.2553 11.2553 11.2553 12.6183 12.6183 12.6183 12.6183 k = 0.0000 0.5000 0.0807 ( 5252 PWs) bands (ev): 0.2883 0.2883 0.2883 0.2883 0.9131 0.9131 0.9131 0.9131 4.4378 4.4378 4.4378 4.4378 5.9754 5.9754 5.9754 5.9754 6.1193 6.1193 6.1193 6.1193 6.5020 6.5020 6.5020 6.5020 6.6470 6.6470 6.6470 6.6470 6.9244 6.9244 6.9244 6.9244 7.7585 7.7585 7.7585 7.7585 8.6873 8.6873 8.6873 8.6873 9.2575 9.2575 9.2575 9.2575 10.0644 10.0644 10.0644 10.0644 11.3127 11.3127 11.3127 11.3127 12.6194 12.6194 12.6194 12.6194 k = 0.0000 0.5000 0.0923 ( 5256 PWs) bands (ev): 0.2954 0.2954 0.2954 0.2954 0.9010 0.9010 0.9010 0.9010 4.4635 4.4635 4.4635 4.4635 5.9691 5.9691 5.9691 5.9691 6.1166 6.1166 6.1166 6.1166 6.5047 6.5047 6.5047 6.5047 6.6553 6.6553 6.6553 6.6553 6.9241 6.9241 6.9241 6.9241 7.6765 7.6765 7.6765 7.6765 8.6781 8.6781 8.6781 8.6781 9.3072 9.3072 9.3072 9.3072 10.0877 10.0877 10.0877 10.0877 11.3776 11.3776 11.3776 11.3776 12.6204 12.6204 12.6204 12.6204 k = 0.0000 0.5000 0.1038 ( 5260 PWs) bands (ev): 0.3030 0.3030 0.3030 0.3030 0.8882 0.8882 0.8882 0.8882 4.4905 4.4905 4.4905 4.4905 5.9619 5.9619 5.9619 5.9619 6.1140 6.1140 6.1140 6.1140 6.5073 6.5073 6.5073 6.5073 6.6652 6.6652 6.6652 6.6652 6.9238 6.9238 6.9238 6.9238 7.5960 7.5960 7.5960 7.5960 8.6688 8.6688 8.6688 8.6688 9.3525 9.3525 9.3525 9.3525 10.1117 10.1117 10.1117 10.1117 11.4491 11.4491 11.4491 11.4491 12.6213 12.6213 12.6213 12.6213 k = 0.0000 0.5000 0.1153 ( 5264 PWs) bands (ev): 0.3109 0.3109 0.3109 0.3109 0.8752 0.8752 0.8752 0.8752 4.5182 4.5182 4.5182 4.5182 5.9540 5.9540 5.9540 5.9540 6.1115 6.1115 6.1115 6.1115 6.5098 6.5098 6.5098 6.5098 6.6767 6.6767 6.6767 6.6767 6.9234 6.9234 6.9234 6.9234 7.5182 7.5182 7.5182 7.5182 8.6596 8.6596 8.6596 8.6596 9.3929 9.3929 9.3929 9.3929 10.1360 10.1360 10.1360 10.1360 11.5258 11.5258 11.5258 11.5258 12.6218 12.6218 12.6218 12.6218 k = 0.0000 0.5000 0.1269 ( 5260 PWs) bands (ev): 0.3189 0.3189 0.3189 0.3189 0.8623 0.8623 0.8623 0.8623 4.5458 4.5458 4.5458 4.5458 5.9456 5.9456 5.9456 5.9456 6.1093 6.1093 6.1093 6.1093 6.5120 6.5120 6.5120 6.5120 6.6899 6.6899 6.6899 6.6899 6.9228 6.9228 6.9228 6.9228 7.4444 7.4444 7.4444 7.4444 8.6510 8.6510 8.6510 8.6510 9.4281 9.4281 9.4281 9.4281 10.1596 10.1596 10.1596 10.1596 11.6063 11.6063 11.6063 11.6063 12.6217 12.6217 12.6217 12.6217 k = 0.0000 0.5000 0.1384 ( 5256 PWs) bands (ev): 0.3267 0.3267 0.3267 0.3267 0.8499 0.8499 0.8499 0.8499 4.5725 4.5725 4.5725 4.5725 5.9370 5.9370 5.9370 5.9370 6.1074 6.1074 6.1074 6.1074 6.5140 6.5140 6.5140 6.5140 6.7046 6.7046 6.7046 6.7046 6.9221 6.9221 6.9221 6.9221 7.3755 7.3755 7.3755 7.3755 8.6430 8.6430 8.6430 8.6430 9.4582 9.4582 9.4582 9.4582 10.1820 10.1820 10.1820 10.1820 11.6886 11.6886 11.6886 11.6886 12.6204 12.6204 12.6204 12.6204 k = 0.0000 0.5000 0.1499 ( 5262 PWs) bands (ev): 0.3340 0.3340 0.3340 0.3340 0.8384 0.8384 0.8384 0.8384 4.5971 4.5971 4.5971 4.5971 5.9285 5.9285 5.9285 5.9285 6.1057 6.1057 6.1057 6.1057 6.5157 6.5157 6.5157 6.5157 6.7206 6.7206 6.7206 6.7206 6.9211 6.9211 6.9211 6.9211 7.3127 7.3127 7.3127 7.3127 8.6359 8.6359 8.6359 8.6359 9.4833 9.4833 9.4833 9.4833 10.2024 10.2024 10.2024 10.2024 11.7700 11.7700 11.7700 11.7700 12.6171 12.6171 12.6171 12.6171 k = 0.0000 0.5000 0.1615 ( 5262 PWs) bands (ev): 0.3406 0.3406 0.3406 0.3406 0.8283 0.8283 0.8283 0.8283 4.6190 4.6190 4.6190 4.6190 5.9206 5.9206 5.9206 5.9206 6.1044 6.1044 6.1044 6.1044 6.5171 6.5171 6.5171 6.5171 6.7374 6.7374 6.7374 6.7374 6.9198 6.9198 6.9198 6.9198 7.2572 7.2572 7.2572 7.2572 8.6299 8.6299 8.6299 8.6299 9.5034 9.5034 9.5034 9.5034 10.2201 10.2201 10.2201 10.2201 11.8474 11.8474 11.8474 11.8474 12.6105 12.6105 12.6105 12.6105 k = 0.0000 0.5000 0.1730 ( 5254 PWs) bands (ev): 0.3461 0.3461 0.3461 0.3461 0.8199 0.8199 0.8199 0.8199 4.6371 4.6371 4.6371 4.6371 5.9138 5.9138 5.9138 5.9138 6.1034 6.1034 6.1034 6.1034 6.5182 6.5182 6.5182 6.5182 6.7540 6.7540 6.7540 6.7540 6.9182 6.9182 6.9182 6.9182 7.2107 7.2107 7.2107 7.2107 8.6251 8.6251 8.6251 8.6251 9.5188 9.5188 9.5188 9.5188 10.2346 10.2346 10.2346 10.2346 11.9167 11.9167 11.9167 11.9167 12.6003 12.6003 12.6003 12.6003 k = 0.0000 0.5000 0.1846 ( 5248 PWs) bands (ev): 0.3503 0.3503 0.3503 0.3503 0.8135 0.8135 0.8135 0.8135 4.6507 4.6507 4.6507 4.6507 5.9085 5.9085 5.9085 5.9085 6.1027 6.1027 6.1027 6.1027 6.5190 6.5190 6.5190 6.5190 6.7687 6.7687 6.7687 6.7687 6.9163 6.9163 6.9163 6.9163 7.1750 7.1750 7.1750 7.1750 8.6216 8.6216 8.6216 8.6216 9.5297 9.5297 9.5297 9.5297 10.2454 10.2454 10.2454 10.2454 11.9725 11.9725 11.9725 11.9725 12.5893 12.5893 12.5893 12.5893 k = 0.0000 0.5000 0.1961 ( 5232 PWs) bands (ev): 0.3530 0.3530 0.3530 0.3530 0.8096 0.8096 0.8096 0.8096 4.6591 4.6591 4.6591 4.6591 5.9052 5.9052 5.9052 5.9052 6.1023 6.1023 6.1023 6.1023 6.5195 6.5195 6.5195 6.5195 6.7793 6.7793 6.7793 6.7793 6.9146 6.9146 6.9146 6.9146 7.1523 7.1523 7.1523 7.1523 8.6195 8.6195 8.6195 8.6195 9.5362 9.5362 9.5362 9.5362 10.2520 10.2520 10.2520 10.2520 12.0094 12.0094 12.0094 12.0094 12.5812 12.5812 12.5812 12.5812 k = 0.0000 0.5000 0.2076 ( 5236 PWs) bands (ev): 0.3539 0.3539 0.3539 0.3539 0.8083 0.8083 0.8083 0.8083 4.6620 4.6620 4.6620 4.6620 5.9041 5.9041 5.9041 5.9041 6.1021 6.1021 6.1021 6.1021 6.5197 6.5197 6.5197 6.5197 6.7833 6.7833 6.7833 6.7833 6.9138 6.9138 6.9138 6.9138 7.1444 7.1444 7.1444 7.1444 8.6187 8.6187 8.6187 8.6187 9.5384 9.5384 9.5384 9.5384 10.2543 10.2543 10.2543 10.2543 12.0223 12.0223 12.0223 12.0223 12.5782 12.5782 12.5782 12.5782 k = 0.5000 0.5000-0.0000 ( 5320 PWs) bands (ev): 1.1021 1.1021 1.1021 1.1021 2.0061 2.0061 2.0061 2.0061 4.3828 4.3828 4.3828 4.3828 4.6576 4.6576 4.6576 4.6576 6.2426 6.2426 6.2426 6.2426 6.4165 6.4165 6.4165 6.4165 6.6438 6.6438 6.6438 6.6438 7.1076 7.1076 7.1076 7.1076 7.2195 7.2195 7.2195 7.2195 7.3237 7.3237 7.3237 7.3237 8.0620 8.0620 8.0620 8.0620 8.3853 8.3853 8.3853 8.3853 12.9336 12.9336 12.9336 12.9336 13.0223 13.0223 13.0223 13.0223 k = 0.5000 0.5000 0.0115 ( 5312 PWs) bands (ev): 1.1021 1.1021 1.1021 1.1021 2.0061 2.0061 2.0061 2.0061 4.3828 4.3828 4.3828 4.3828 4.6574 4.6574 4.6574 4.6574 6.2425 6.2425 6.2425 6.2425 6.4138 6.4138 6.4138 6.4138 6.6440 6.6440 6.6440 6.6440 7.1076 7.1076 7.1076 7.1076 7.2194 7.2194 7.2194 7.2194 7.3287 7.3287 7.3287 7.3287 8.0616 8.0616 8.0616 8.0616 8.3854 8.3854 8.3854 8.3854 12.9268 12.9268 12.9268 12.9268 13.0229 13.0229 13.0229 13.0229 k = 0.5000 0.5000 0.0231 ( 5308 PWs) bands (ev): 1.1023 1.1023 1.1023 1.1023 2.0061 2.0061 2.0061 2.0061 4.3827 4.3827 4.3827 4.3827 4.6566 4.6566 4.6566 4.6566 6.2421 6.2421 6.2421 6.2421 6.4060 6.4060 6.4060 6.4060 6.6443 6.6443 6.6443 6.6443 7.1077 7.1077 7.1077 7.1077 7.2192 7.2192 7.2192 7.2192 7.3433 7.3433 7.3433 7.3433 8.0604 8.0604 8.0604 8.0604 8.3858 8.3858 8.3858 8.3858 12.9064 12.9064 12.9064 12.9064 13.0247 13.0247 13.0247 13.0247 k = 0.5000 0.5000 0.0346 ( 5292 PWs) bands (ev): 1.1025 1.1025 1.1025 1.1025 2.0062 2.0062 2.0062 2.0062 4.3827 4.3827 4.3827 4.3827 4.6554 4.6554 4.6554 4.6554 6.2414 6.2414 6.2414 6.2414 6.3938 6.3938 6.3938 6.3938 6.6450 6.6450 6.6450 6.6450 7.1078 7.1078 7.1078 7.1078 7.2189 7.2189 7.2189 7.2189 7.3665 7.3665 7.3665 7.3665 8.0586 8.0586 8.0586 8.0586 8.3863 8.3863 8.3863 8.3863 12.8726 12.8726 12.8726 12.8726 13.0273 13.0273 13.0273 13.0273 k = 0.5000 0.5000 0.0461 ( 5292 PWs) bands (ev): 1.1028 1.1028 1.1028 1.1028 2.0062 2.0062 2.0062 2.0062 4.3827 4.3827 4.3827 4.3827 4.6537 4.6537 4.6537 4.6537 6.2402 6.2402 6.2402 6.2402 6.3781 6.3781 6.3781 6.3781 6.6460 6.6460 6.6460 6.6460 7.1079 7.1079 7.1079 7.1079 7.2186 7.2186 7.2186 7.2186 7.3972 7.3972 7.3972 7.3972 8.0560 8.0560 8.0560 8.0560 8.3870 8.3870 8.3870 8.3870 12.8260 12.8260 12.8260 12.8260 13.0308 13.0308 13.0308 13.0308 k = 0.5000 0.5000 0.0577 ( 5288 PWs) bands (ev): 1.1032 1.1032 1.1032 1.1032 2.0062 2.0062 2.0062 2.0062 4.3827 4.3827 4.3827 4.3827 4.6517 4.6517 4.6517 4.6517 6.2385 6.2385 6.2385 6.2385 6.3603 6.3603 6.3603 6.3603 6.6472 6.6472 6.6472 6.6472 7.1080 7.1080 7.1080 7.1080 7.2185 7.2185 7.2185 7.2185 7.4339 7.4339 7.4339 7.4339 8.0528 8.0528 8.0528 8.0528 8.3878 8.3878 8.3878 8.3878 12.7679 12.7679 12.7679 12.7679 13.0348 13.0348 13.0348 13.0348 k = 0.5000 0.5000 0.0692 ( 5288 PWs) bands (ev): 1.1037 1.1037 1.1037 1.1037 2.0062 2.0062 2.0062 2.0062 4.3826 4.3826 4.3826 4.3826 4.6493 4.6493 4.6493 4.6493 6.2361 6.2361 6.2361 6.2361 6.3415 6.3415 6.3415 6.3415 6.6486 6.6486 6.6486 6.6486 7.1081 7.1081 7.1081 7.1081 7.2183 7.2183 7.2183 7.2183 7.4752 7.4752 7.4752 7.4752 8.0492 8.0492 8.0492 8.0492 8.3887 8.3887 8.3887 8.3887 12.7000 12.7000 12.7000 12.7000 13.0394 13.0394 13.0394 13.0394 k = 0.5000 0.5000 0.0807 ( 5296 PWs) bands (ev): 1.1042 1.1042 1.1042 1.1042 2.0062 2.0062 2.0062 2.0062 4.3826 4.3826 4.3826 4.3826 4.6467 4.6467 4.6467 4.6467 6.2325 6.2325 6.2325 6.2325 6.3230 6.3230 6.3230 6.3230 6.6502 6.6502 6.6502 6.6502 7.1081 7.1081 7.1081 7.1081 7.2183 7.2183 7.2183 7.2183 7.5197 7.5197 7.5197 7.5197 8.0452 8.0452 8.0452 8.0452 8.3897 8.3897 8.3897 8.3897 12.6248 12.6248 12.6248 12.6248 13.0444 13.0444 13.0444 13.0444 k = 0.5000 0.5000 0.0923 ( 5296 PWs) bands (ev): 1.1048 1.1048 1.1048 1.1048 2.0062 2.0062 2.0062 2.0062 4.3825 4.3825 4.3825 4.3825 4.6439 4.6439 4.6439 4.6439 6.2275 6.2275 6.2275 6.2275 6.3061 6.3061 6.3061 6.3061 6.6520 6.6520 6.6520 6.6520 7.1082 7.1082 7.1082 7.1082 7.2182 7.2182 7.2182 7.2182 7.5661 7.5661 7.5661 7.5661 8.0410 8.0410 8.0410 8.0410 8.3907 8.3907 8.3907 8.3907 12.5452 12.5452 12.5452 12.5452 13.0495 13.0495 13.0495 13.0495 k = 0.5000 0.5000 0.1038 ( 5304 PWs) bands (ev): 1.1053 1.1053 1.1053 1.1053 2.0062 2.0062 2.0062 2.0062 4.3824 4.3824 4.3824 4.3824 4.6410 4.6410 4.6410 4.6410 6.2203 6.2203 6.2203 6.2203 6.2919 6.2919 6.2919 6.2919 6.6538 6.6538 6.6538 6.6538 7.1082 7.1082 7.1082 7.1082 7.2182 7.2182 7.2182 7.2182 7.6130 7.6130 7.6130 7.6130 8.0367 8.0367 8.0367 8.0367 8.3917 8.3917 8.3917 8.3917 12.4641 12.4641 12.4641 12.4641 13.0545 13.0545 13.0545 13.0545 k = 0.5000 0.5000 0.1153 ( 5312 PWs) bands (ev): 1.1059 1.1059 1.1059 1.1059 2.0062 2.0062 2.0062 2.0062 4.3824 4.3824 4.3824 4.3824 4.6380 4.6380 4.6380 4.6380 6.2110 6.2110 6.2110 6.2110 6.2811 6.2811 6.2811 6.2811 6.6556 6.6556 6.6556 6.6556 7.1083 7.1083 7.1083 7.1083 7.2183 7.2183 7.2183 7.2183 7.6591 7.6591 7.6591 7.6591 8.0324 8.0324 8.0324 8.0324 8.3927 8.3927 8.3927 8.3927 12.3840 12.3840 12.3840 12.3840 13.0594 13.0594 13.0594 13.0594 k = 0.5000 0.5000 0.1269 ( 5344 PWs) bands (ev): 1.1064 1.1064 1.1064 1.1064 2.0062 2.0062 2.0062 2.0062 4.3823 4.3823 4.3823 4.3823 4.6352 4.6352 4.6352 4.6352 6.2000 6.2000 6.2000 6.2000 6.2735 6.2735 6.2735 6.2735 6.6574 6.6574 6.6574 6.6574 7.1083 7.1083 7.1083 7.1083 7.2183 7.2183 7.2183 7.2183 7.7034 7.7034 7.7034 7.7034 8.0282 8.0282 8.0282 8.0282 8.3935 8.3935 8.3935 8.3935 12.3075 12.3075 12.3075 12.3075 13.0639 13.0639 13.0639 13.0639 k = 0.5000 0.5000 0.1384 ( 5348 PWs) bands (ev): 1.1069 1.1069 1.1069 1.1069 2.0062 2.0062 2.0062 2.0062 4.3822 4.3822 4.3822 4.3822 4.6325 4.6325 4.6325 4.6325 6.1886 6.1886 6.1886 6.1886 6.2684 6.2684 6.2684 6.2684 6.6591 6.6591 6.6591 6.6591 7.1083 7.1083 7.1083 7.1083 7.2183 7.2183 7.2183 7.2183 7.7446 7.7446 7.7446 7.7446 8.0244 8.0244 8.0244 8.0244 8.3943 8.3943 8.3943 8.3943 12.2367 12.2367 12.2367 12.2367 13.0678 13.0678 13.0678 13.0678 k = 0.5000 0.5000 0.1499 ( 5348 PWs) bands (ev): 1.1074 1.1074 1.1074 1.1074 2.0062 2.0062 2.0062 2.0062 4.3822 4.3822 4.3822 4.3822 4.6301 4.6301 4.6301 4.6301 6.1777 6.1777 6.1777 6.1777 6.2650 6.2650 6.2650 6.2650 6.6607 6.6607 6.6607 6.6607 7.1084 7.1084 7.1084 7.1084 7.2184 7.2184 7.2184 7.2184 7.7816 7.7816 7.7816 7.7816 8.0210 8.0210 8.0210 8.0210 8.3950 8.3950 8.3950 8.3950 12.1734 12.1734 12.1734 12.1734 13.0712 13.0712 13.0712 13.0712 k = 0.5000 0.5000 0.1615 ( 5332 PWs) bands (ev): 1.1078 1.1078 1.1078 1.1078 2.0062 2.0062 2.0062 2.0062 4.3822 4.3822 4.3822 4.3822 4.6280 4.6280 4.6280 4.6280 6.1681 6.1681 6.1681 6.1681 6.2627 6.2627 6.2627 6.2627 6.6621 6.6621 6.6621 6.6621 7.1084 7.1084 7.1084 7.1084 7.2184 7.2184 7.2184 7.2184 7.8135 7.8135 7.8135 7.8135 8.0181 8.0181 8.0181 8.0181 8.3956 8.3956 8.3956 8.3956 12.1194 12.1194 12.1194 12.1194 13.0739 13.0739 13.0739 13.0739 k = 0.5000 0.5000 0.1730 ( 5316 PWs) bands (ev): 1.1082 1.1082 1.1082 1.1082 2.0062 2.0062 2.0062 2.0062 4.3821 4.3821 4.3821 4.3821 4.6263 4.6263 4.6263 4.6263 6.1603 6.1603 6.1603 6.1603 6.2613 6.2613 6.2613 6.2613 6.6632 6.6632 6.6632 6.6632 7.1085 7.1085 7.1085 7.1085 7.2185 7.2185 7.2185 7.2185 7.8393 7.8393 7.8393 7.8393 8.0158 8.0158 8.0158 8.0158 8.3961 8.3961 8.3961 8.3961 12.0759 12.0759 12.0759 12.0759 13.0759 13.0759 13.0759 13.0759 k = 0.5000 0.5000 0.1846 ( 5304 PWs) bands (ev): 1.1084 1.1084 1.1084 1.1084 2.0062 2.0062 2.0062 2.0062 4.3821 4.3821 4.3821 4.3821 4.6250 4.6250 4.6250 4.6250 6.1545 6.1545 6.1545 6.1545 6.2603 6.2603 6.2603 6.2603 6.6640 6.6640 6.6640 6.6640 7.1086 7.1086 7.1086 7.1086 7.2185 7.2185 7.2185 7.2185 7.8583 7.8583 7.8583 7.8583 8.0142 8.0142 8.0142 8.0142 8.3965 8.3965 8.3965 8.3965 12.0440 12.0440 12.0440 12.0440 13.0774 13.0774 13.0774 13.0774 k = 0.5000 0.5000 0.1961 ( 5304 PWs) bands (ev): 1.1085 1.1085 1.1085 1.1085 2.0062 2.0062 2.0062 2.0062 4.3821 4.3821 4.3821 4.3821 4.6242 4.6242 4.6242 4.6242 6.1509 6.1509 6.1509 6.1509 6.2598 6.2598 6.2598 6.2598 6.6645 6.6645 6.6645 6.6645 7.1086 7.1086 7.1086 7.1086 7.2185 7.2185 7.2185 7.2185 7.8700 7.8700 7.8700 7.8700 8.0132 8.0132 8.0132 8.0132 8.3967 8.3967 8.3967 8.3967 12.0246 12.0246 12.0246 12.0246 13.0782 13.0782 13.0782 13.0782 k = 0.5000 0.5000 0.2076 ( 5304 PWs) bands (ev): 1.1086 1.1086 1.1086 1.1086 2.0062 2.0062 2.0062 2.0062 4.3821 4.3821 4.3821 4.3821 4.6240 4.6240 4.6240 4.6240 6.1497 6.1497 6.1497 6.1497 6.2596 6.2596 6.2596 6.2596 6.6646 6.6646 6.6646 6.6646 7.1086 7.1086 7.1086 7.1086 7.2185 7.2185 7.2185 7.2185 7.8739 7.8739 7.8739 7.8739 8.0128 8.0128 8.0128 8.0128 8.3967 8.3967 8.3967 8.3967 12.0180 12.0180 12.0180 12.0180 13.0785 13.0785 13.0785 13.0785 Writing output data file ZrCuGe2.save init_run : 0.31s CPU 0.55s WALL ( 1 calls) electrons : 293.53s CPU 298.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 293.52s CPU 298.30s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 349 calls) cegterg : 271.26s CPU 274.71s WALL ( 855 calls) Called by sum_band: Called by *egterg: h_psi : 140.04s CPU 142.34s WALL ( 15069 calls) s_psi : 8.20s CPU 8.15s WALL ( 15069 calls) g_psi : 0.50s CPU 0.48s WALL ( 13865 calls) cdiaghg : 106.74s CPU 107.67s WALL ( 14214 calls) cegterg:over : 11.81s CPU 12.12s WALL ( 13865 calls) cegterg:upda : 12.38s CPU 12.60s WALL ( 13865 calls) cegterg:last : 5.56s CPU 5.46s WALL ( 1886 calls) cdiaghg:chol : 6.11s CPU 6.16s WALL ( 14214 calls) cdiaghg:inve : 4.19s CPU 4.07s WALL ( 14214 calls) cdiaghg:para : 6.69s CPU 6.63s WALL ( 28428 calls) Called by h_psi: h_psi:vloc : 118.48s CPU 120.46s WALL ( 15069 calls) h_psi:vnl : 21.01s CPU 21.37s WALL ( 15069 calls) add_vuspsi : 10.63s CPU 10.58s WALL ( 15069 calls) General routines calbec : 10.32s CPU 10.75s WALL ( 15069 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 111.52s CPU 113.59s WALL ( 1267688 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.35s WALL ( 698 calls) Parallel routines fft_scatter : 38.06s CPU 39.17s WALL ( 1267711 calls) PWSCF : 5m13.82s CPU 5m39.85s WALL This run was terminated on: 17:50:22 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=