Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:39: 5 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: ./ZnCu2Ni.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Zn.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 28 18 6 696 372 64 Max 29 19 7 701 385 68 Sum 1041 681 221 25173 13613 2373 bravais-lattice index = 14 lattice parameter (alat) = 6.8692 a.u. unit-cell volume = 324.1229 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.869154 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Ni 10.00 58.69340 Ni( 1.00) Cu 11.00 63.54600 Cu( 1.00) Zn 12.00 65.40900 Zn( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [0,1,1] cryst. s( 5) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 6 180 deg rotation - cart. axis [0,1,-1] cryst. s( 6) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 7 90 deg rotation - cart. axis [-1,0,0] cryst. s( 7) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 8 90 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s( 8) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(13) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(14) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(15) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) 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 [-1,0,0] -2C4 -7 -8 90 deg rotation - cart. axis [-1,0,0] E C2 -C2 4 -4 180 deg rotation - cart. axis [1,0,0] 2C2'-2C2' 2 -2 3 -3 180 deg rotation - cart. axis [0,0,1] 2C2''-2C2' 5 6 -6 -5 180 deg rotation - cart. axis [0,1,1] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [-1,0,0] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [-1,0,0] E s_h -s_h 12 -12 inv. 180 deg rotation - cart. axis [1,0,0] 2s_v-2s_v 10 -10 11 -11 inv. 180 deg rotation - cart. axis [0,0,1] 2s_d-2s_d 13 14 -14 -13 inv. 180 deg rotation - cart. axis [0,1,1] Cartesian axes number of k points= 441 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0022676 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0022676 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0022676 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0022676 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0022676 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0022676 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0022676 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0022676 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0022676 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0022676 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0022676 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0022676 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0022676 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0022676 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0022676 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0022676 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0022676 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0022676 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0022676 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0022676 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0022676 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0022676 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0022676 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0022676 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0022676 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0022676 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0022676 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0022676 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0022676 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0022676 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0022676 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0022676 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0022676 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0022676 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0022676 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0022676 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0022676 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0022676 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0022676 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0022676 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0022676 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0022676 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0022676 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022676 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022676 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0022676 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0022676 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0022676 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0022676 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0022676 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0022676 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0022676 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0022676 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0022676 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0022676 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0022676 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0022676 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0022676 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0022676 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0022676 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0022676 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0022676 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0022676 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0022676 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0022676 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0022676 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0022676 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0022676 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0022676 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0022676 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0022676 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0022676 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0022676 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0022676 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0022676 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0022676 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0022676 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0022676 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0022676 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0022676 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0022676 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0022676 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0022676 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0022676 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0022676 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0022676 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0022676 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0022676 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022676 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022676 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0022676 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0022676 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0022676 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0022676 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0022676 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0022676 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0022676 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0022676 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0022676 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0022676 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0022676 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0022676 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0022676 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0022676 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0022676 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0022676 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0022676 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0022676 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0022676 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0022676 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0022676 k( 113) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0022676 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0022676 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0022676 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0022676 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0022676 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0022676 k( 119) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0022676 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0022676 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0022676 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0022676 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0022676 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0022676 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0022676 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0022676 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0022676 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0022676 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0022676 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0022676 k( 131) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0022676 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0022676 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0022676 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0022676 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0022676 k( 136) = ( 0.1370968 0.1370968 -0.0000000), wk = 0.0022676 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0022676 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0022676 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0022676 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0022676 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0022676 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0022676 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0022676 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0022676 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0022676 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0022676 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0022676 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0022676 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0022676 k( 150) = ( 0.0241936 0.0241935 -0.0000000), wk = 0.0022676 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0022676 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0022676 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 155) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0022676 k( 156) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0022676 k( 157) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0022676 k( 158) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0022676 k( 159) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0022676 k( 160) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0022676 k( 161) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0022676 k( 162) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0022676 k( 163) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0022676 k( 164) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0022676 k( 165) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022676 k( 166) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0022676 k( 167) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0022676 k( 168) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0022676 k( 169) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0022676 k( 170) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0022676 k( 171) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0022676 k( 172) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0022676 k( 173) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0022676 k( 174) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0022676 k( 175) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0022676 k( 176) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022676 k( 177) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0022676 k( 178) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0022676 k( 179) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0022676 k( 180) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0022676 k( 181) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0022676 k( 182) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0022676 k( 183) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0022676 k( 184) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0022676 k( 185) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0022676 k( 186) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0022676 k( 187) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022676 k( 188) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0022676 k( 189) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0022676 k( 190) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0022676 k( 191) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0022676 k( 192) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0022676 k( 193) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0022676 k( 194) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0022676 k( 195) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0022676 k( 196) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0022676 k( 197) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0022676 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 199) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 200) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0022676 k( 201) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0022676 k( 202) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0022676 k( 203) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0022676 k( 204) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0022676 k( 205) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0022676 k( 206) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0022676 k( 207) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0022676 k( 208) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0022676 k( 209) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0022676 k( 210) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0022676 k( 211) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0022676 k( 212) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0022676 k( 213) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0022676 k( 214) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0022676 k( 215) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0022676 k( 216) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0022676 k( 217) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0022676 k( 218) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0022676 k( 219) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0022676 k( 220) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0022676 k( 221) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022676 k( 222) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0022676 k( 223) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0022676 k( 224) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0022676 k( 225) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0022676 k( 226) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0022676 k( 227) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0022676 k( 228) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0022676 k( 229) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0022676 k( 230) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0022676 k( 231) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0022676 k( 232) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0022676 k( 233) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0022676 k( 234) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0022676 k( 235) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0022676 k( 236) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0022676 k( 237) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0022676 k( 238) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0022676 k( 239) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0022676 k( 240) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0022676 k( 241) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0022676 k( 242) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0022676 k( 243) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022676 k( 244) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022676 k( 245) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0022676 k( 246) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0022676 k( 247) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0022676 k( 248) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0022676 k( 249) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0022676 k( 250) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0022676 k( 251) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0022676 k( 252) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0022676 k( 253) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0022676 k( 254) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0022676 k( 255) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0022676 k( 256) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0022676 k( 257) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0022676 k( 258) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0022676 k( 259) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0022676 k( 260) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0022676 k( 261) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0022676 k( 262) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0022676 k( 263) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0022676 k( 264) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0022676 k( 265) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0022676 k( 266) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0022676 k( 267) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0022676 k( 268) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0022676 k( 269) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0022676 k( 270) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0022676 k( 271) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0022676 k( 272) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0022676 k( 273) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0022676 k( 274) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0022676 k( 275) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0022676 k( 276) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0022676 k( 277) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0022676 k( 278) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0022676 k( 279) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0022676 k( 280) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0022676 k( 281) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0022676 k( 282) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0022676 k( 283) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0022676 k( 284) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0022676 k( 285) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0022676 k( 286) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0022676 k( 287) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0022676 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 289) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 290) = ( 0.4919355 0.4919355 0.5000000), wk = 0.0022676 k( 291) = ( 0.4838710 0.4838710 0.5000000), wk = 0.0022676 k( 292) = ( 0.4758064 0.4758064 0.5000000), wk = 0.0022676 k( 293) = ( 0.4677419 0.4677419 0.5000000), wk = 0.0022676 k( 294) = ( 0.4596774 0.4596774 0.5000000), wk = 0.0022676 k( 295) = ( 0.4516129 0.4516129 0.5000000), wk = 0.0022676 k( 296) = ( 0.4435484 0.4435484 0.5000000), wk = 0.0022676 k( 297) = ( 0.4354839 0.4354839 0.5000000), wk = 0.0022676 k( 298) = ( 0.4274193 0.4274193 0.5000000), wk = 0.0022676 k( 299) = ( 0.4193548 0.4193548 0.5000000), wk = 0.0022676 k( 300) = ( 0.4112903 0.4112903 0.5000000), wk = 0.0022676 k( 301) = ( 0.4032258 0.4032258 0.5000000), wk = 0.0022676 k( 302) = ( 0.3951613 0.3951613 0.5000000), wk = 0.0022676 k( 303) = ( 0.3870968 0.3870968 0.5000000), wk = 0.0022676 k( 304) = ( 0.3790323 0.3790323 0.5000000), wk = 0.0022676 k( 305) = ( 0.3709677 0.3709677 0.5000000), wk = 0.0022676 k( 306) = ( 0.3629032 0.3629032 0.5000000), wk = 0.0022676 k( 307) = ( 0.3548387 0.3548387 0.5000000), wk = 0.0022676 k( 308) = ( 0.3467742 0.3467742 0.5000000), wk = 0.0022676 k( 309) = ( 0.3387097 0.3387097 0.5000000), wk = 0.0022676 k( 310) = ( 0.3306452 0.3306452 0.5000000), wk = 0.0022676 k( 311) = ( 0.3225807 0.3225806 0.5000000), wk = 0.0022676 k( 312) = ( 0.3145161 0.3145161 0.5000000), wk = 0.0022676 k( 313) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0022676 k( 314) = ( 0.2983871 0.2983871 0.5000000), wk = 0.0022676 k( 315) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0022676 k( 316) = ( 0.2822581 0.2822581 0.5000000), wk = 0.0022676 k( 317) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0022676 k( 318) = ( 0.2661290 0.2661290 0.5000000), wk = 0.0022676 k( 319) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0022676 k( 320) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022676 k( 321) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0022676 k( 322) = ( 0.2338710 0.2338710 0.5000000), wk = 0.0022676 k( 323) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0022676 k( 324) = ( 0.2177419 0.2177419 0.5000000), wk = 0.0022676 k( 325) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0022676 k( 326) = ( 0.2016129 0.2016129 0.5000000), wk = 0.0022676 k( 327) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0022676 k( 328) = ( 0.1854839 0.1854839 0.5000000), wk = 0.0022676 k( 329) = ( 0.1774194 0.1774193 0.5000000), wk = 0.0022676 k( 330) = ( 0.1693548 0.1693548 0.5000000), wk = 0.0022676 k( 331) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0022676 k( 332) = ( 0.1532258 0.1532258 0.5000000), wk = 0.0022676 k( 333) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0022676 k( 334) = ( 0.1370968 0.1370968 0.5000000), wk = 0.0022676 k( 335) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0022676 k( 336) = ( 0.1209677 0.1209677 0.5000000), wk = 0.0022676 k( 337) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0022676 k( 338) = ( 0.1048387 0.1048387 0.5000000), wk = 0.0022676 k( 339) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0022676 k( 340) = ( 0.0887097 0.0887097 0.5000000), wk = 0.0022676 k( 341) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0022676 k( 342) = ( 0.0725806 0.0725806 0.5000000), wk = 0.0022676 k( 343) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0022676 k( 344) = ( 0.0564516 0.0564516 0.5000000), wk = 0.0022676 k( 345) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0022676 k( 346) = ( 0.0403226 0.0403226 0.5000000), wk = 0.0022676 k( 347) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0022676 k( 348) = ( 0.0241936 0.0241935 0.5000000), wk = 0.0022676 k( 349) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0022676 k( 350) = ( 0.0080645 0.0080645 0.5000000), wk = 0.0022676 k( 351) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 352) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022676 k( 353) = ( 0.0000000 0.5000000 0.0113636), wk = 0.0022676 k( 354) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0022676 k( 355) = ( 0.0000000 0.5000000 0.0340909), wk = 0.0022676 k( 356) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0022676 k( 357) = ( 0.0000000 0.5000000 0.0568182), wk = 0.0022676 k( 358) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0022676 k( 359) = ( 0.0000000 0.5000000 0.0795454), wk = 0.0022676 k( 360) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0022676 k( 361) = ( 0.0000000 0.5000000 0.1022727), wk = 0.0022676 k( 362) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0022676 k( 363) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0022676 k( 364) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0022676 k( 365) = ( 0.0000000 0.5000000 0.1477273), wk = 0.0022676 k( 366) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0022676 k( 367) = ( 0.0000000 0.5000000 0.1704545), wk = 0.0022676 k( 368) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0022676 k( 369) = ( 0.0000000 0.5000000 0.1931818), wk = 0.0022676 k( 370) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0022676 k( 371) = ( 0.0000000 0.5000000 0.2159091), wk = 0.0022676 k( 372) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0022676 k( 373) = ( 0.0000000 0.5000000 0.2386364), wk = 0.0022676 k( 374) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022676 k( 375) = ( 0.0000000 0.5000000 0.2613636), wk = 0.0022676 k( 376) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0022676 k( 377) = ( 0.0000000 0.5000000 0.2840909), wk = 0.0022676 k( 378) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0022676 k( 379) = ( 0.0000000 0.5000000 0.3068182), wk = 0.0022676 k( 380) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0022676 k( 381) = ( 0.0000000 0.5000000 0.3295454), wk = 0.0022676 k( 382) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0022676 k( 383) = ( 0.0000000 0.5000000 0.3522727), wk = 0.0022676 k( 384) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0022676 k( 385) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0022676 k( 386) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0022676 k( 387) = ( 0.0000000 0.5000000 0.3977273), wk = 0.0022676 k( 388) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0022676 k( 389) = ( 0.0000000 0.5000000 0.4204545), wk = 0.0022676 k( 390) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0022676 k( 391) = ( 0.0000000 0.5000000 0.4431818), wk = 0.0022676 k( 392) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0022676 k( 393) = ( 0.0000000 0.5000000 0.4659091), wk = 0.0022676 k( 394) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0022676 k( 395) = ( 0.0000000 0.5000000 0.4886364), wk = 0.0022676 k( 396) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022676 k( 397) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022676 k( 398) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0022676 k( 399) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0022676 k( 400) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0022676 k( 401) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0022676 k( 402) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0022676 k( 403) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0022676 k( 404) = ( 0.5000000 0.5000000 0.0795454), wk = 0.0022676 k( 405) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0022676 k( 406) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0022676 k( 407) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0022676 k( 408) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0022676 k( 409) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0022676 k( 410) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0022676 k( 411) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0022676 k( 412) = ( 0.5000000 0.5000000 0.1704545), wk = 0.0022676 k( 413) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0022676 k( 414) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0022676 k( 415) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0022676 k( 416) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0022676 k( 417) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0022676 k( 418) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0022676 k( 419) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0022676 k( 420) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0022676 k( 421) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0022676 k( 422) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0022676 k( 423) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0022676 k( 424) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0022676 k( 425) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0022676 k( 426) = ( 0.5000000 0.5000000 0.3295454), wk = 0.0022676 k( 427) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0022676 k( 428) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0022676 k( 429) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0022676 k( 430) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0022676 k( 431) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0022676 k( 432) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0022676 k( 433) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0022676 k( 434) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0022676 k( 435) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0022676 k( 436) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0022676 k( 437) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0022676 k( 438) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0022676 k( 439) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0022676 k( 440) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0022676 k( 441) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0022676 k( 3) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0022676 k( 4) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0022676 k( 5) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0022676 k( 6) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0022676 k( 7) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0022676 k( 8) = ( 0.0000000 0.0795455 0.0000000), wk = 0.0022676 k( 9) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0022676 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0022676 k( 11) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0022676 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0022676 k( 13) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0022676 k( 14) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0022676 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0022676 k( 16) = ( 0.0000000 0.1704546 0.0000000), wk = 0.0022676 k( 17) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0022676 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0022676 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0022676 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0022676 k( 21) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0022676 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0022676 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0022676 k( 24) = ( 0.0000000 0.2613636 0.0000000), wk = 0.0022676 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0022676 k( 26) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0022676 k( 27) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0022676 k( 28) = ( 0.0000000 0.3068182 0.0000000), wk = 0.0022676 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0022676 k( 30) = ( 0.0000000 0.3295455 0.0000000), wk = 0.0022676 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0022676 k( 32) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0022676 k( 33) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0022676 k( 34) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0022676 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0022676 k( 36) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0022676 k( 37) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0022676 k( 38) = ( 0.0000000 0.4204545 0.0000000), wk = 0.0022676 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0022676 k( 40) = ( 0.0000000 0.4431818 0.0000000), wk = 0.0022676 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0022676 k( 42) = ( 0.0000000 0.4659091 0.0000000), wk = 0.0022676 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0022676 k( 44) = ( 0.0000000 0.4886364 0.0000000), wk = 0.0022676 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022676 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022676 k( 47) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0022676 k( 48) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0022676 k( 49) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0022676 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0022676 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0022676 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0022676 k( 53) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0022676 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0022676 k( 55) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0022676 k( 56) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0022676 k( 57) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0022676 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0022676 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0022676 k( 60) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0022676 k( 61) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0022676 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0022676 k( 63) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0022676 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0022676 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0022676 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0022676 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0022676 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0022676 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0022676 k( 70) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0022676 k( 71) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0022676 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0022676 k( 73) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0022676 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0022676 k( 75) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0022676 k( 76) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0022676 k( 77) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0022676 k( 78) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0022676 k( 79) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0022676 k( 80) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0022676 k( 81) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0022676 k( 82) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0022676 k( 83) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0022676 k( 84) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0022676 k( 85) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0022676 k( 86) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0022676 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0022676 k( 88) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0022676 k( 89) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0022676 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022676 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022676 k( 92) = ( 0.4919355 0.4919355 0.0000000), wk = 0.0022676 k( 93) = ( 0.4838710 0.4838710 0.0000000), wk = 0.0022676 k( 94) = ( 0.4758064 0.4758064 0.0000000), wk = 0.0022676 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0022676 k( 96) = ( 0.4596774 0.4596774 0.0000000), wk = 0.0022676 k( 97) = ( 0.4516129 0.4516129 0.0000000), wk = 0.0022676 k( 98) = ( 0.4435484 0.4435484 0.0000000), wk = 0.0022676 k( 99) = ( 0.4354839 0.4354839 0.0000000), wk = 0.0022676 k( 100) = ( 0.4274193 0.4274193 0.0000000), wk = 0.0022676 k( 101) = ( 0.4193548 0.4193548 0.0000000), wk = 0.0022676 k( 102) = ( 0.4112903 0.4112903 0.0000000), wk = 0.0022676 k( 103) = ( 0.4032258 0.4032258 0.0000000), wk = 0.0022676 k( 104) = ( 0.3951613 0.3951613 0.0000000), wk = 0.0022676 k( 105) = ( 0.3870968 0.3870968 0.0000000), wk = 0.0022676 k( 106) = ( 0.3790323 0.3790323 0.0000000), wk = 0.0022676 k( 107) = ( 0.3709677 0.3709677 0.0000000), wk = 0.0022676 k( 108) = ( 0.3629032 0.3629032 0.0000000), wk = 0.0022676 k( 109) = ( 0.3548387 0.3548387 0.0000000), wk = 0.0022676 k( 110) = ( 0.3467742 0.3467742 0.0000000), wk = 0.0022676 k( 111) = ( 0.3387097 0.3387097 0.0000000), wk = 0.0022676 k( 112) = ( 0.3306452 0.3306452 0.0000000), wk = 0.0022676 k( 113) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0022676 k( 114) = ( 0.3145161 0.3145161 0.0000000), wk = 0.0022676 k( 115) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0022676 k( 116) = ( 0.2983871 0.2983871 0.0000000), wk = 0.0022676 k( 117) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0022676 k( 118) = ( 0.2822581 0.2822581 0.0000000), wk = 0.0022676 k( 119) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0022676 k( 120) = ( 0.2661290 0.2661290 0.0000000), wk = 0.0022676 k( 121) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0022676 k( 122) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0022676 k( 123) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0022676 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0022676 k( 125) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0022676 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0022676 k( 127) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0022676 k( 128) = ( 0.2016129 0.2016129 0.0000000), wk = 0.0022676 k( 129) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0022676 k( 130) = ( 0.1854839 0.1854839 0.0000000), wk = 0.0022676 k( 131) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0022676 k( 132) = ( 0.1693548 0.1693548 0.0000000), wk = 0.0022676 k( 133) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0022676 k( 134) = ( 0.1532258 0.1532258 0.0000000), wk = 0.0022676 k( 135) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0022676 k( 136) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0022676 k( 137) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0022676 k( 138) = ( 0.1209677 0.1209677 0.0000000), wk = 0.0022676 k( 139) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0022676 k( 140) = ( 0.1048387 0.1048387 0.0000000), wk = 0.0022676 k( 141) = ( 0.0967742 0.0967742 0.0000000), wk = 0.0022676 k( 142) = ( 0.0887097 0.0887097 0.0000000), wk = 0.0022676 k( 143) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0022676 k( 144) = ( 0.0725806 0.0725806 0.0000000), wk = 0.0022676 k( 145) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0022676 k( 146) = ( 0.0564516 0.0564516 0.0000000), wk = 0.0022676 k( 147) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0022676 k( 148) = ( 0.0403226 0.0403226 0.0000000), wk = 0.0022676 k( 149) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0022676 k( 150) = ( 0.0241936 0.0241936 0.0000000), wk = 0.0022676 k( 151) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0022676 k( 152) = ( 0.0080645 0.0080645 0.0000000), wk = 0.0022676 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 155) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0022676 k( 156) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0022676 k( 157) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0022676 k( 158) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0022676 k( 159) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0022676 k( 160) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0022676 k( 161) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0022676 k( 162) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0022676 k( 163) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0022676 k( 164) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0022676 k( 165) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022676 k( 166) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0022676 k( 167) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0022676 k( 168) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0022676 k( 169) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0022676 k( 170) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0022676 k( 171) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0022676 k( 172) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0022676 k( 173) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0022676 k( 174) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0022676 k( 175) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0022676 k( 176) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022676 k( 177) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0022676 k( 178) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0022676 k( 179) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0022676 k( 180) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0022676 k( 181) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0022676 k( 182) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0022676 k( 183) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0022676 k( 184) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0022676 k( 185) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0022676 k( 186) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0022676 k( 187) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022676 k( 188) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0022676 k( 189) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0022676 k( 190) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0022676 k( 191) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0022676 k( 192) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0022676 k( 193) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0022676 k( 194) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0022676 k( 195) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0022676 k( 196) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0022676 k( 197) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0022676 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 199) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 200) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0022676 k( 201) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0022676 k( 202) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0022676 k( 203) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0022676 k( 204) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0022676 k( 205) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0022676 k( 206) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0022676 k( 207) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0022676 k( 208) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0022676 k( 209) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0022676 k( 210) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0022676 k( 211) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0022676 k( 212) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0022676 k( 213) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0022676 k( 214) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0022676 k( 215) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0022676 k( 216) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0022676 k( 217) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0022676 k( 218) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0022676 k( 219) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0022676 k( 220) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0022676 k( 221) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022676 k( 222) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0022676 k( 223) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0022676 k( 224) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0022676 k( 225) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0022676 k( 226) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0022676 k( 227) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0022676 k( 228) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0022676 k( 229) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0022676 k( 230) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0022676 k( 231) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0022676 k( 232) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0022676 k( 233) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0022676 k( 234) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0022676 k( 235) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0022676 k( 236) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0022676 k( 237) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0022676 k( 238) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0022676 k( 239) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0022676 k( 240) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0022676 k( 241) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0022676 k( 242) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0022676 k( 243) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022676 k( 244) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022676 k( 245) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0022676 k( 246) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0022676 k( 247) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0022676 k( 248) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0022676 k( 249) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0022676 k( 250) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0022676 k( 251) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0022676 k( 252) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0022676 k( 253) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0022676 k( 254) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0022676 k( 255) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0022676 k( 256) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0022676 k( 257) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0022676 k( 258) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0022676 k( 259) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0022676 k( 260) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0022676 k( 261) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0022676 k( 262) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0022676 k( 263) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0022676 k( 264) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0022676 k( 265) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0022676 k( 266) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0022676 k( 267) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0022676 k( 268) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0022676 k( 269) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0022676 k( 270) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0022676 k( 271) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0022676 k( 272) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0022676 k( 273) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0022676 k( 274) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0022676 k( 275) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0022676 k( 276) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0022676 k( 277) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0022676 k( 278) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0022676 k( 279) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0022676 k( 280) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0022676 k( 281) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0022676 k( 282) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0022676 k( 283) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0022676 k( 284) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0022676 k( 285) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0022676 k( 286) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0022676 k( 287) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0022676 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 289) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 290) = ( 0.4919355 0.4919355 0.5000000), wk = 0.0022676 k( 291) = ( 0.4838710 0.4838710 0.5000000), wk = 0.0022676 k( 292) = ( 0.4758064 0.4758064 0.5000000), wk = 0.0022676 k( 293) = ( 0.4677419 0.4677419 0.5000000), wk = 0.0022676 k( 294) = ( 0.4596774 0.4596774 0.5000000), wk = 0.0022676 k( 295) = ( 0.4516129 0.4516129 0.5000000), wk = 0.0022676 k( 296) = ( 0.4435484 0.4435484 0.5000000), wk = 0.0022676 k( 297) = ( 0.4354839 0.4354839 0.5000000), wk = 0.0022676 k( 298) = ( 0.4274193 0.4274193 0.5000000), wk = 0.0022676 k( 299) = ( 0.4193548 0.4193548 0.5000000), wk = 0.0022676 k( 300) = ( 0.4112903 0.4112903 0.5000000), wk = 0.0022676 k( 301) = ( 0.4032258 0.4032258 0.5000000), wk = 0.0022676 k( 302) = ( 0.3951613 0.3951613 0.5000000), wk = 0.0022676 k( 303) = ( 0.3870968 0.3870968 0.5000000), wk = 0.0022676 k( 304) = ( 0.3790323 0.3790323 0.5000000), wk = 0.0022676 k( 305) = ( 0.3709677 0.3709677 0.5000000), wk = 0.0022676 k( 306) = ( 0.3629032 0.3629032 0.5000000), wk = 0.0022676 k( 307) = ( 0.3548387 0.3548387 0.5000000), wk = 0.0022676 k( 308) = ( 0.3467742 0.3467742 0.5000000), wk = 0.0022676 k( 309) = ( 0.3387097 0.3387097 0.5000000), wk = 0.0022676 k( 310) = ( 0.3306452 0.3306452 0.5000000), wk = 0.0022676 k( 311) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0022676 k( 312) = ( 0.3145161 0.3145161 0.5000000), wk = 0.0022676 k( 313) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0022676 k( 314) = ( 0.2983871 0.2983871 0.5000000), wk = 0.0022676 k( 315) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0022676 k( 316) = ( 0.2822581 0.2822581 0.5000000), wk = 0.0022676 k( 317) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0022676 k( 318) = ( 0.2661290 0.2661290 0.5000000), wk = 0.0022676 k( 319) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0022676 k( 320) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022676 k( 321) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0022676 k( 322) = ( 0.2338710 0.2338710 0.5000000), wk = 0.0022676 k( 323) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0022676 k( 324) = ( 0.2177419 0.2177419 0.5000000), wk = 0.0022676 k( 325) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0022676 k( 326) = ( 0.2016129 0.2016129 0.5000000), wk = 0.0022676 k( 327) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0022676 k( 328) = ( 0.1854839 0.1854839 0.5000000), wk = 0.0022676 k( 329) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0022676 k( 330) = ( 0.1693548 0.1693548 0.5000000), wk = 0.0022676 k( 331) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0022676 k( 332) = ( 0.1532258 0.1532258 0.5000000), wk = 0.0022676 k( 333) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0022676 k( 334) = ( 0.1370968 0.1370968 0.5000000), wk = 0.0022676 k( 335) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0022676 k( 336) = ( 0.1209677 0.1209677 0.5000000), wk = 0.0022676 k( 337) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0022676 k( 338) = ( 0.1048387 0.1048387 0.5000000), wk = 0.0022676 k( 339) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0022676 k( 340) = ( 0.0887097 0.0887097 0.5000000), wk = 0.0022676 k( 341) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0022676 k( 342) = ( 0.0725806 0.0725806 0.5000000), wk = 0.0022676 k( 343) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0022676 k( 344) = ( 0.0564516 0.0564516 0.5000000), wk = 0.0022676 k( 345) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0022676 k( 346) = ( 0.0403226 0.0403226 0.5000000), wk = 0.0022676 k( 347) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0022676 k( 348) = ( 0.0241936 0.0241936 0.5000000), wk = 0.0022676 k( 349) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0022676 k( 350) = ( 0.0080645 0.0080645 0.5000000), wk = 0.0022676 k( 351) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022676 k( 352) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022676 k( 353) = ( 0.0000000 0.5000000 0.0113636), wk = 0.0022676 k( 354) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0022676 k( 355) = ( 0.0000000 0.5000000 0.0340909), wk = 0.0022676 k( 356) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0022676 k( 357) = ( 0.0000000 0.5000000 0.0568182), wk = 0.0022676 k( 358) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0022676 k( 359) = ( 0.0000000 0.5000000 0.0795455), wk = 0.0022676 k( 360) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0022676 k( 361) = ( 0.0000000 0.5000000 0.1022727), wk = 0.0022676 k( 362) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0022676 k( 363) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0022676 k( 364) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0022676 k( 365) = ( 0.0000000 0.5000000 0.1477273), wk = 0.0022676 k( 366) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0022676 k( 367) = ( 0.0000000 0.5000000 0.1704546), wk = 0.0022676 k( 368) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0022676 k( 369) = ( 0.0000000 0.5000000 0.1931818), wk = 0.0022676 k( 370) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0022676 k( 371) = ( 0.0000000 0.5000000 0.2159091), wk = 0.0022676 k( 372) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0022676 k( 373) = ( 0.0000000 0.5000000 0.2386364), wk = 0.0022676 k( 374) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022676 k( 375) = ( 0.0000000 0.5000000 0.2613636), wk = 0.0022676 k( 376) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0022676 k( 377) = ( 0.0000000 0.5000000 0.2840909), wk = 0.0022676 k( 378) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0022676 k( 379) = ( 0.0000000 0.5000000 0.3068182), wk = 0.0022676 k( 380) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0022676 k( 381) = ( 0.0000000 0.5000000 0.3295455), wk = 0.0022676 k( 382) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0022676 k( 383) = ( 0.0000000 0.5000000 0.3522727), wk = 0.0022676 k( 384) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0022676 k( 385) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0022676 k( 386) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0022676 k( 387) = ( 0.0000000 0.5000000 0.3977273), wk = 0.0022676 k( 388) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0022676 k( 389) = ( 0.0000000 0.5000000 0.4204545), wk = 0.0022676 k( 390) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0022676 k( 391) = ( 0.0000000 0.5000000 0.4431818), wk = 0.0022676 k( 392) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0022676 k( 393) = ( 0.0000000 0.5000000 0.4659091), wk = 0.0022676 k( 394) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0022676 k( 395) = ( 0.0000000 0.5000000 0.4886364), wk = 0.0022676 k( 396) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022676 k( 397) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022676 k( 398) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0022676 k( 399) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0022676 k( 400) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0022676 k( 401) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0022676 k( 402) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0022676 k( 403) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0022676 k( 404) = ( 0.5000000 0.5000000 0.0795455), wk = 0.0022676 k( 405) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0022676 k( 406) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0022676 k( 407) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0022676 k( 408) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0022676 k( 409) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0022676 k( 410) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0022676 k( 411) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0022676 k( 412) = ( 0.5000000 0.5000000 0.1704546), wk = 0.0022676 k( 413) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0022676 k( 414) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0022676 k( 415) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0022676 k( 416) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0022676 k( 417) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0022676 k( 418) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0022676 k( 419) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0022676 k( 420) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0022676 k( 421) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0022676 k( 422) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0022676 k( 423) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0022676 k( 424) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0022676 k( 425) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0022676 k( 426) = ( 0.5000000 0.5000000 0.3295455), wk = 0.0022676 k( 427) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0022676 k( 428) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0022676 k( 429) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0022676 k( 430) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0022676 k( 431) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0022676 k( 432) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0022676 k( 433) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0022676 k( 434) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0022676 k( 435) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0022676 k( 436) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0022676 k( 437) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0022676 k( 438) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0022676 k( 439) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0022676 k( 440) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0022676 k( 441) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 Dense grid: 25173 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 13613 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 102, 52) NL pseudopotentials 0.11 Mb ( 51, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 701) G-vector shells 0.00 Mb ( 183) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 102, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) The potential is recalculated from file : ./ZnCu2Ni.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.6 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.2 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.7 secs Computing kpt #: 17 total cpu time spent up to now is 6.9 secs Computing kpt #: 18 total cpu time spent up to now is 7.1 secs Computing kpt #: 19 total cpu time spent up to now is 7.3 secs Computing kpt #: 20 total cpu time spent up to now is 7.5 secs Computing kpt #: 21 total cpu time spent up to now is 7.8 secs Computing kpt #: 22 total cpu time spent up to now is 8.0 secs Computing kpt #: 23 total cpu time spent up to now is 8.2 secs Computing kpt #: 24 total cpu time spent up to now is 8.4 secs Computing kpt #: 25 total cpu time spent up to now is 8.6 secs Computing kpt #: 26 total cpu time spent up to now is 8.8 secs Computing kpt #: 27 total cpu time spent up to now is 9.0 secs Computing kpt #: 28 total cpu time spent up to now is 9.3 secs Computing kpt #: 29 total cpu time spent up to now is 9.5 secs Computing kpt #: 30 total cpu time spent up to now is 9.7 secs Computing kpt #: 31 total cpu time spent up to now is 10.0 secs Computing kpt #: 32 total cpu time spent up to now is 10.2 secs Computing kpt #: 33 total cpu time spent up to now is 10.5 secs Computing kpt #: 34 total cpu time spent up to now is 10.8 secs Computing kpt #: 35 total cpu time spent up to now is 11.1 secs Computing kpt #: 36 total cpu time spent up to now is 11.4 secs Computing kpt #: 37 total cpu time spent up to now is 11.7 secs Computing kpt #: 38 total cpu time spent up to now is 11.9 secs Computing kpt #: 39 total cpu time spent up to now is 12.2 secs Computing kpt #: 40 total cpu time spent up to now is 12.4 secs Computing kpt #: 41 total cpu time spent up to now is 12.7 secs Computing kpt #: 42 total cpu time spent up to now is 12.9 secs Computing kpt #: 43 total cpu time spent up to now is 13.1 secs Computing kpt #: 44 total cpu time spent up to now is 13.4 secs Computing kpt #: 45 total cpu time spent up to now is 13.6 secs Computing kpt #: 46 total cpu time spent up to now is 13.8 secs Computing kpt #: 47 total cpu time spent up to now is 14.0 secs Computing kpt #: 48 total cpu time spent up to now is 14.3 secs Computing kpt #: 49 total cpu time spent up to now is 14.5 secs Computing kpt #: 50 total cpu time spent up to now is 14.7 secs Computing kpt #: 51 total cpu time spent up to now is 14.9 secs Computing kpt #: 52 total cpu time spent up to now is 15.2 secs Computing kpt #: 53 total cpu time spent up to now is 15.4 secs Computing kpt #: 54 total cpu time spent up to now is 15.6 secs Computing kpt #: 55 total cpu time spent up to now is 15.8 secs Computing kpt #: 56 total cpu time spent up to now is 16.1 secs Computing kpt #: 57 total cpu time spent up to now is 16.3 secs Computing kpt #: 58 total cpu time spent up to now is 16.5 secs Computing kpt #: 59 total cpu time spent up to now is 16.7 secs Computing kpt #: 60 total cpu time spent up to now is 16.9 secs Computing kpt #: 61 total cpu time spent up to now is 17.2 secs Computing kpt #: 62 total cpu time spent up to now is 17.4 secs Computing kpt #: 63 total cpu time spent up to now is 17.6 secs Computing kpt #: 64 total cpu time spent up to now is 17.8 secs Computing kpt #: 65 total cpu time spent up to now is 18.0 secs Computing kpt #: 66 total cpu time spent up to now is 18.2 secs Computing kpt #: 67 total cpu time spent up to now is 18.5 secs Computing kpt #: 68 total cpu time spent up to now is 18.7 secs Computing kpt #: 69 total cpu time spent up to now is 18.9 secs Computing kpt #: 70 total cpu time spent up to now is 19.1 secs Computing kpt #: 71 total cpu time spent up to now is 19.4 secs Computing kpt #: 72 total cpu time spent up to now is 19.6 secs Computing kpt #: 73 total cpu time spent up to now is 19.8 secs Computing kpt #: 74 total cpu time spent up to now is 20.0 secs Computing kpt #: 75 total cpu time spent up to now is 20.3 secs Computing kpt #: 76 total cpu time spent up to now is 20.5 secs Computing kpt #: 77 total cpu time spent up to now is 20.7 secs Computing kpt #: 78 total cpu time spent up to now is 21.0 secs Computing kpt #: 79 total cpu time spent up to now is 21.2 secs Computing kpt #: 80 total cpu time spent up to now is 21.5 secs Computing kpt #: 81 total cpu time spent up to now is 21.8 secs Computing kpt #: 82 total cpu time spent up to now is 22.1 secs Computing kpt #: 83 total cpu time spent up to now is 22.3 secs Computing kpt #: 84 total cpu time spent up to now is 22.6 secs Computing kpt #: 85 total cpu time spent up to now is 23.0 secs Computing kpt #: 86 total cpu time spent up to now is 23.3 secs Computing kpt #: 87 total cpu time spent up to now is 23.7 secs Computing kpt #: 88 total cpu time spent up to now is 24.2 secs Computing kpt #: 89 total cpu time spent up to now is 24.5 secs Computing kpt #: 90 total cpu time spent up to now is 24.9 secs Computing kpt #: 91 total cpu time spent up to now is 25.3 secs Computing kpt #: 92 total cpu time spent up to now is 25.7 secs Computing kpt #: 93 total cpu time spent up to now is 26.1 secs Computing kpt #: 94 total cpu time spent up to now is 26.4 secs Computing kpt #: 95 total cpu time spent up to now is 26.8 secs Computing kpt #: 96 total cpu time spent up to now is 27.3 secs Computing kpt #: 97 total cpu time spent up to now is 28.0 secs Computing kpt #: 98 total cpu time spent up to now is 28.4 secs Computing kpt #: 99 total cpu time spent up to now is 28.8 secs Computing kpt #: 100 total cpu time spent up to now is 29.2 secs Computing kpt #: 101 total cpu time spent up to now is 29.5 secs Computing kpt #: 102 total cpu time spent up to now is 29.7 secs Computing kpt #: 103 total cpu time spent up to now is 30.0 secs Computing kpt #: 104 total cpu time spent up to now is 30.3 secs Computing kpt #: 105 total cpu time spent up to now is 30.6 secs Computing kpt #: 106 total cpu time spent up to now is 30.8 secs Computing kpt #: 107 total cpu time spent up to now is 31.1 secs Computing kpt #: 108 total cpu time spent up to now is 31.3 secs Computing kpt #: 109 total cpu time spent up to now is 31.5 secs Computing kpt #: 110 total cpu time spent up to now is 31.8 secs Computing kpt #: 111 total cpu time spent up to now is 32.0 secs Computing kpt #: 112 total cpu time spent up to now is 32.2 secs Computing kpt #: 113 total cpu time spent up to now is 32.4 secs Computing kpt #: 114 total cpu time spent up to now is 32.7 secs Computing kpt #: 115 total cpu time spent up to now is 32.9 secs Computing kpt #: 116 total cpu time spent up to now is 33.1 secs Computing kpt #: 117 total cpu time spent up to now is 33.3 secs Computing kpt #: 118 total cpu time spent up to now is 33.6 secs Computing kpt #: 119 total cpu time spent up to now is 33.8 secs Computing kpt #: 120 total cpu time spent up to now is 34.0 secs Computing kpt #: 121 total cpu time spent up to now is 34.2 secs Computing kpt #: 122 total cpu time spent up to now is 34.4 secs Computing kpt #: 123 total cpu time spent up to now is 34.7 secs Computing kpt #: 124 total cpu time spent up to now is 34.9 secs Computing kpt #: 125 total cpu time spent up to now is 35.1 secs Computing kpt #: 126 total cpu time spent up to now is 35.3 secs Computing kpt #: 127 total cpu time spent up to now is 35.5 secs Computing kpt #: 128 total cpu time spent up to now is 35.8 secs Computing kpt #: 129 total cpu time spent up to now is 36.0 secs Computing kpt #: 130 total cpu time spent up to now is 36.2 secs Computing kpt #: 131 total cpu time spent up to now is 36.5 secs Computing kpt #: 132 total cpu time spent up to now is 36.7 secs Computing kpt #: 133 total cpu time spent up to now is 37.0 secs Computing kpt #: 134 total cpu time spent up to now is 37.5 secs Computing kpt #: 135 total cpu time spent up to now is 37.9 secs Computing kpt #: 136 total cpu time spent up to now is 38.2 secs Computing kpt #: 137 total cpu time spent up to now is 38.5 secs Computing kpt #: 138 total cpu time spent up to now is 38.7 secs Computing kpt #: 139 total cpu time spent up to now is 39.0 secs Computing kpt #: 140 total cpu time spent up to now is 39.2 secs Computing kpt #: 141 total cpu time spent up to now is 39.5 secs Computing kpt #: 142 total cpu time spent up to now is 39.7 secs Computing kpt #: 143 total cpu time spent up to now is 40.0 secs Computing kpt #: 144 total cpu time spent up to now is 40.2 secs Computing kpt #: 145 total cpu time spent up to now is 40.5 secs Computing kpt #: 146 total cpu time spent up to now is 40.7 secs Computing kpt #: 147 total cpu time spent up to now is 41.0 secs Computing kpt #: 148 total cpu time spent up to now is 41.3 secs Computing kpt #: 149 total cpu time spent up to now is 41.5 secs Computing kpt #: 150 total cpu time spent up to now is 41.8 secs Computing kpt #: 151 total cpu time spent up to now is 42.0 secs Computing kpt #: 152 total cpu time spent up to now is 42.3 secs Computing kpt #: 153 total cpu time spent up to now is 42.5 secs Computing kpt #: 154 total cpu time spent up to now is 42.8 secs Computing kpt #: 155 total cpu time spent up to now is 43.1 secs Computing kpt #: 156 total cpu time spent up to now is 43.3 secs Computing kpt #: 157 total cpu time spent up to now is 43.6 secs Computing kpt #: 158 total cpu time spent up to now is 43.8 secs Computing kpt #: 159 total cpu time spent up to now is 44.1 secs Computing kpt #: 160 total cpu time spent up to now is 44.4 secs Computing kpt #: 161 total cpu time spent up to now is 44.6 secs Computing kpt #: 162 total cpu time spent up to now is 44.8 secs Computing kpt #: 163 total cpu time spent up to now is 45.1 secs Computing kpt #: 164 total cpu time spent up to now is 45.3 secs Computing kpt #: 165 total cpu time spent up to now is 45.6 secs Computing kpt #: 166 total cpu time spent up to now is 45.8 secs Computing kpt #: 167 total cpu time spent up to now is 46.0 secs Computing kpt #: 168 total cpu time spent up to now is 46.2 secs Computing kpt #: 169 total cpu time spent up to now is 46.4 secs Computing kpt #: 170 total cpu time spent up to now is 46.7 secs Computing kpt #: 171 total cpu time spent up to now is 46.9 secs Computing kpt #: 172 total cpu time spent up to now is 47.1 secs Computing kpt #: 173 total cpu time spent up to now is 47.3 secs Computing kpt #: 174 total cpu time spent up to now is 47.6 secs Computing kpt #: 175 total cpu time spent up to now is 47.8 secs Computing kpt #: 176 total cpu time spent up to now is 48.0 secs Computing kpt #: 177 total cpu time spent up to now is 48.2 secs Computing kpt #: 178 total cpu time spent up to now is 48.4 secs Computing kpt #: 179 total cpu time spent up to now is 48.6 secs Computing kpt #: 180 total cpu time spent up to now is 48.9 secs Computing kpt #: 181 total cpu time spent up to now is 49.1 secs Computing kpt #: 182 total cpu time spent up to now is 49.3 secs Computing kpt #: 183 total cpu time spent up to now is 49.5 secs Computing kpt #: 184 total cpu time spent up to now is 49.8 secs Computing kpt #: 185 total cpu time spent up to now is 50.0 secs Computing kpt #: 186 total cpu time spent up to now is 50.3 secs Computing kpt #: 187 total cpu time spent up to now is 50.6 secs Computing kpt #: 188 total cpu time spent up to now is 51.0 secs Computing kpt #: 189 total cpu time spent up to now is 51.2 secs Computing kpt #: 190 total cpu time spent up to now is 51.5 secs Computing kpt #: 191 total cpu time spent up to now is 51.8 secs Computing kpt #: 192 total cpu time spent up to now is 52.0 secs Computing kpt #: 193 total cpu time spent up to now is 52.3 secs Computing kpt #: 194 total cpu time spent up to now is 52.5 secs Computing kpt #: 195 total cpu time spent up to now is 52.8 secs Computing kpt #: 196 total cpu time spent up to now is 53.0 secs Computing kpt #: 197 total cpu time spent up to now is 53.2 secs Computing kpt #: 198 total cpu time spent up to now is 53.4 secs Computing kpt #: 199 total cpu time spent up to now is 53.7 secs Computing kpt #: 200 total cpu time spent up to now is 53.9 secs Computing kpt #: 201 total cpu time spent up to now is 54.1 secs Computing kpt #: 202 total cpu time spent up to now is 54.4 secs Computing kpt #: 203 total cpu time spent up to now is 54.6 secs Computing kpt #: 204 total cpu time spent up to now is 54.8 secs Computing kpt #: 205 total cpu time spent up to now is 55.0 secs Computing kpt #: 206 total cpu time spent up to now is 55.2 secs Computing kpt #: 207 total cpu time spent up to now is 55.5 secs Computing kpt #: 208 total cpu time spent up to now is 55.7 secs Computing kpt #: 209 total cpu time spent up to now is 55.9 secs Computing kpt #: 210 total cpu time spent up to now is 56.1 secs Computing kpt #: 211 total cpu time spent up to now is 56.4 secs Computing kpt #: 212 total cpu time spent up to now is 56.6 secs Computing kpt #: 213 total cpu time spent up to now is 56.8 secs Computing kpt #: 214 total cpu time spent up to now is 57.0 secs Computing kpt #: 215 total cpu time spent up to now is 57.2 secs Computing kpt #: 216 total cpu time spent up to now is 57.5 secs Computing kpt #: 217 total cpu time spent up to now is 57.7 secs Computing kpt #: 218 total cpu time spent up to now is 57.9 secs Computing kpt #: 219 total cpu time spent up to now is 58.1 secs Computing kpt #: 220 total cpu time spent up to now is 58.4 secs Computing kpt #: 221 total cpu time spent up to now is 58.6 secs Computing kpt #: 222 total cpu time spent up to now is 58.8 secs Computing kpt #: 223 total cpu time spent up to now is 59.0 secs Computing kpt #: 224 total cpu time spent up to now is 59.3 secs Computing kpt #: 225 total cpu time spent up to now is 59.5 secs Computing kpt #: 226 total cpu time spent up to now is 59.7 secs Computing kpt #: 227 total cpu time spent up to now is 60.0 secs Computing kpt #: 228 total cpu time spent up to now is 60.2 secs Computing kpt #: 229 total cpu time spent up to now is 60.4 secs Computing kpt #: 230 total cpu time spent up to now is 60.7 secs Computing kpt #: 231 total cpu time spent up to now is 60.9 secs Computing kpt #: 232 total cpu time spent up to now is 61.2 secs Computing kpt #: 233 total cpu time spent up to now is 61.5 secs Computing kpt #: 234 total cpu time spent up to now is 61.8 secs Computing kpt #: 235 total cpu time spent up to now is 62.1 secs Computing kpt #: 236 total cpu time spent up to now is 62.4 secs Computing kpt #: 237 total cpu time spent up to now is 62.9 secs Computing kpt #: 238 total cpu time spent up to now is 63.3 secs Computing kpt #: 239 total cpu time spent up to now is 63.6 secs Computing kpt #: 240 total cpu time spent up to now is 64.1 secs Computing kpt #: 241 total cpu time spent up to now is 64.7 secs Computing kpt #: 242 total cpu time spent up to now is 65.4 secs Computing kpt #: 243 total cpu time spent up to now is 66.1 secs Computing kpt #: 244 total cpu time spent up to now is 66.9 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.9 secs Computing kpt #: 246 total cpu time spent up to now is 68.2 secs Computing kpt #: 247 total cpu time spent up to now is 68.4 secs Computing kpt #: 248 total cpu time spent up to now is 68.7 secs Computing kpt #: 249 total cpu time spent up to now is 68.9 secs Computing kpt #: 250 total cpu time spent up to now is 69.1 secs Computing kpt #: 251 total cpu time spent up to now is 69.3 secs Computing kpt #: 252 total cpu time spent up to now is 69.5 secs Computing kpt #: 253 total cpu time spent up to now is 69.7 secs Computing kpt #: 254 total cpu time spent up to now is 69.9 secs Computing kpt #: 255 total cpu time spent up to now is 70.3 secs Computing kpt #: 256 total cpu time spent up to now is 70.5 secs Computing kpt #: 257 total cpu time spent up to now is 70.8 secs Computing kpt #: 258 total cpu time spent up to now is 71.0 secs Computing kpt #: 259 total cpu time spent up to now is 71.3 secs Computing kpt #: 260 total cpu time spent up to now is 71.5 secs Computing kpt #: 261 total cpu time spent up to now is 71.7 secs Computing kpt #: 262 total cpu time spent up to now is 72.0 secs Computing kpt #: 263 total cpu time spent up to now is 72.2 secs Computing kpt #: 264 total cpu time spent up to now is 72.5 secs Computing kpt #: 265 total cpu time spent up to now is 72.8 secs Computing kpt #: 266 total cpu time spent up to now is 73.0 secs Computing kpt #: 267 total cpu time spent up to now is 73.3 secs Computing kpt #: 268 total cpu time spent up to now is 73.6 secs Computing kpt #: 269 total cpu time spent up to now is 73.8 secs Computing kpt #: 270 total cpu time spent up to now is 74.0 secs Computing kpt #: 271 total cpu time spent up to now is 74.3 secs Computing kpt #: 272 total cpu time spent up to now is 74.5 secs Computing kpt #: 273 total cpu time spent up to now is 74.8 secs Computing kpt #: 274 total cpu time spent up to now is 75.0 secs Computing kpt #: 275 total cpu time spent up to now is 75.3 secs Computing kpt #: 276 total cpu time spent up to now is 75.5 secs Computing kpt #: 277 total cpu time spent up to now is 75.8 secs Computing kpt #: 278 total cpu time spent up to now is 76.0 secs Computing kpt #: 279 total cpu time spent up to now is 76.3 secs Computing kpt #: 280 total cpu time spent up to now is 76.5 secs Computing kpt #: 281 total cpu time spent up to now is 76.8 secs Computing kpt #: 282 total cpu time spent up to now is 77.0 secs Computing kpt #: 283 total cpu time spent up to now is 77.3 secs Computing kpt #: 284 total cpu time spent up to now is 77.5 secs Computing kpt #: 285 total cpu time spent up to now is 77.8 secs Computing kpt #: 286 total cpu time spent up to now is 78.0 secs Computing kpt #: 287 total cpu time spent up to now is 78.3 secs Computing kpt #: 288 total cpu time spent up to now is 78.5 secs Computing kpt #: 289 total cpu time spent up to now is 78.8 secs Computing kpt #: 290 total cpu time spent up to now is 79.1 secs Computing kpt #: 291 total cpu time spent up to now is 79.3 secs Computing kpt #: 292 total cpu time spent up to now is 79.6 secs Computing kpt #: 293 total cpu time spent up to now is 79.8 secs Computing kpt #: 294 total cpu time spent up to now is 80.1 secs Computing kpt #: 295 total cpu time spent up to now is 80.3 secs Computing kpt #: 296 total cpu time spent up to now is 80.6 secs Computing kpt #: 297 total cpu time spent up to now is 80.8 secs Computing kpt #: 298 total cpu time spent up to now is 81.1 secs Computing kpt #: 299 total cpu time spent up to now is 81.3 secs Computing kpt #: 300 total cpu time spent up to now is 81.5 secs Computing kpt #: 301 total cpu time spent up to now is 81.8 secs Computing kpt #: 302 total cpu time spent up to now is 82.0 secs Computing kpt #: 303 total cpu time spent up to now is 82.2 secs Computing kpt #: 304 total cpu time spent up to now is 82.5 secs Computing kpt #: 305 total cpu time spent up to now is 82.7 secs Computing kpt #: 306 total cpu time spent up to now is 82.9 secs Computing kpt #: 307 total cpu time spent up to now is 83.1 secs Computing kpt #: 308 total cpu time spent up to now is 83.3 secs Computing kpt #: 309 total cpu time spent up to now is 83.6 secs Computing kpt #: 310 total cpu time spent up to now is 83.8 secs Computing kpt #: 311 total cpu time spent up to now is 84.0 secs Computing kpt #: 312 total cpu time spent up to now is 84.2 secs Computing kpt #: 313 total cpu time spent up to now is 84.4 secs Computing kpt #: 314 total cpu time spent up to now is 84.7 secs Computing kpt #: 315 total cpu time spent up to now is 84.9 secs Computing kpt #: 316 total cpu time spent up to now is 85.1 secs Computing kpt #: 317 total cpu time spent up to now is 85.3 secs Computing kpt #: 318 total cpu time spent up to now is 85.5 secs Computing kpt #: 319 total cpu time spent up to now is 85.7 secs Computing kpt #: 320 total cpu time spent up to now is 85.9 secs Computing kpt #: 321 total cpu time spent up to now is 86.1 secs Computing kpt #: 322 total cpu time spent up to now is 86.3 secs Computing kpt #: 323 total cpu time spent up to now is 86.5 secs Computing kpt #: 324 total cpu time spent up to now is 86.7 secs Computing kpt #: 325 total cpu time spent up to now is 86.9 secs Computing kpt #: 326 total cpu time spent up to now is 87.1 secs Computing kpt #: 327 total cpu time spent up to now is 87.3 secs Computing kpt #: 328 total cpu time spent up to now is 87.5 secs Computing kpt #: 329 total cpu time spent up to now is 87.7 secs Computing kpt #: 330 total cpu time spent up to now is 87.9 secs Computing kpt #: 331 total cpu time spent up to now is 88.1 secs Computing kpt #: 332 total cpu time spent up to now is 88.3 secs Computing kpt #: 333 total cpu time spent up to now is 88.5 secs Computing kpt #: 334 total cpu time spent up to now is 88.7 secs Computing kpt #: 335 total cpu time spent up to now is 88.9 secs Computing kpt #: 336 total cpu time spent up to now is 89.1 secs Computing kpt #: 337 total cpu time spent up to now is 89.3 secs Computing kpt #: 338 total cpu time spent up to now is 89.5 secs Computing kpt #: 339 total cpu time spent up to now is 89.7 secs Computing kpt #: 340 total cpu time spent up to now is 89.9 secs Computing kpt #: 341 total cpu time spent up to now is 90.1 secs Computing kpt #: 342 total cpu time spent up to now is 90.4 secs Computing kpt #: 343 total cpu time spent up to now is 90.6 secs Computing kpt #: 344 total cpu time spent up to now is 90.8 secs Computing kpt #: 345 total cpu time spent up to now is 91.0 secs Computing kpt #: 346 total cpu time spent up to now is 91.2 secs Computing kpt #: 347 total cpu time spent up to now is 91.5 secs Computing kpt #: 348 total cpu time spent up to now is 91.7 secs Computing kpt #: 349 total cpu time spent up to now is 91.9 secs Computing kpt #: 350 total cpu time spent up to now is 92.2 secs Computing kpt #: 351 total cpu time spent up to now is 92.4 secs Computing kpt #: 352 total cpu time spent up to now is 92.6 secs Computing kpt #: 353 total cpu time spent up to now is 92.9 secs Computing kpt #: 354 total cpu time spent up to now is 93.1 secs Computing kpt #: 355 total cpu time spent up to now is 93.3 secs Computing kpt #: 356 total cpu time spent up to now is 93.6 secs Computing kpt #: 357 total cpu time spent up to now is 93.8 secs Computing kpt #: 358 total cpu time spent up to now is 94.0 secs Computing kpt #: 359 total cpu time spent up to now is 94.2 secs Computing kpt #: 360 total cpu time spent up to now is 94.4 secs Computing kpt #: 361 total cpu time spent up to now is 94.7 secs Computing kpt #: 362 total cpu time spent up to now is 94.9 secs Computing kpt #: 363 total cpu time spent up to now is 95.1 secs Computing kpt #: 364 total cpu time spent up to now is 95.3 secs Computing kpt #: 365 total cpu time spent up to now is 95.5 secs Computing kpt #: 366 total cpu time spent up to now is 95.8 secs Computing kpt #: 367 total cpu time spent up to now is 96.0 secs Computing kpt #: 368 total cpu time spent up to now is 96.2 secs Computing kpt #: 369 total cpu time spent up to now is 96.4 secs Computing kpt #: 370 total cpu time spent up to now is 96.6 secs Computing kpt #: 371 total cpu time spent up to now is 96.9 secs Computing kpt #: 372 total cpu time spent up to now is 97.1 secs Computing kpt #: 373 total cpu time spent up to now is 97.3 secs Computing kpt #: 374 total cpu time spent up to now is 97.5 secs Computing kpt #: 375 total cpu time spent up to now is 97.7 secs Computing kpt #: 376 total cpu time spent up to now is 98.0 secs Computing kpt #: 377 total cpu time spent up to now is 98.2 secs Computing kpt #: 378 total cpu time spent up to now is 98.4 secs Computing kpt #: 379 total cpu time spent up to now is 98.6 secs Computing kpt #: 380 total cpu time spent up to now is 98.9 secs Computing kpt #: 381 total cpu time spent up to now is 99.1 secs Computing kpt #: 382 total cpu time spent up to now is 99.3 secs Computing kpt #: 383 total cpu time spent up to now is 99.6 secs Computing kpt #: 384 total cpu time spent up to now is 99.9 secs Computing kpt #: 385 total cpu time spent up to now is 100.1 secs Computing kpt #: 386 total cpu time spent up to now is 100.4 secs Computing kpt #: 387 total cpu time spent up to now is 100.7 secs Computing kpt #: 388 total cpu time spent up to now is 101.0 secs Computing kpt #: 389 total cpu time spent up to now is 101.3 secs Computing kpt #: 390 total cpu time spent up to now is 101.7 secs Computing kpt #: 391 total cpu time spent up to now is 102.2 secs Computing kpt #: 392 total cpu time spent up to now is 102.6 secs Computing kpt #: 393 total cpu time spent up to now is 103.0 secs Computing kpt #: 394 total cpu time spent up to now is 103.5 secs Computing kpt #: 395 total cpu time spent up to now is 104.2 secs Computing kpt #: 396 total cpu time spent up to now is 105.0 secs Computing kpt #: 397 total cpu time spent up to now is 105.4 secs Computing kpt #: 398 total cpu time spent up to now is 105.7 secs Computing kpt #: 399 total cpu time spent up to now is 106.0 secs Computing kpt #: 400 total cpu time spent up to now is 106.3 secs Computing kpt #: 401 total cpu time spent up to now is 106.6 secs Computing kpt #: 402 total cpu time spent up to now is 106.8 secs Computing kpt #: 403 total cpu time spent up to now is 107.0 secs Computing kpt #: 404 total cpu time spent up to now is 107.3 secs Computing kpt #: 405 total cpu time spent up to now is 107.5 secs Computing kpt #: 406 total cpu time spent up to now is 107.7 secs Computing kpt #: 407 total cpu time spent up to now is 108.0 secs Computing kpt #: 408 total cpu time spent up to now is 108.2 secs Computing kpt #: 409 total cpu time spent up to now is 108.4 secs Computing kpt #: 410 total cpu time spent up to now is 108.7 secs Computing kpt #: 411 total cpu time spent up to now is 108.9 secs Computing kpt #: 412 total cpu time spent up to now is 109.1 secs Computing kpt #: 413 total cpu time spent up to now is 109.3 secs Computing kpt #: 414 total cpu time spent up to now is 109.6 secs Computing kpt #: 415 total cpu time spent up to now is 109.8 secs Computing kpt #: 416 total cpu time spent up to now is 110.0 secs Computing kpt #: 417 total cpu time spent up to now is 110.2 secs Computing kpt #: 418 total cpu time spent up to now is 110.5 secs Computing kpt #: 419 total cpu time spent up to now is 110.9 secs Computing kpt #: 420 total cpu time spent up to now is 111.2 secs Computing kpt #: 421 total cpu time spent up to now is 111.4 secs Computing kpt #: 422 total cpu time spent up to now is 111.6 secs Computing kpt #: 423 total cpu time spent up to now is 111.8 secs Computing kpt #: 424 total cpu time spent up to now is 112.1 secs Computing kpt #: 425 total cpu time spent up to now is 112.3 secs Computing kpt #: 426 total cpu time spent up to now is 112.5 secs Computing kpt #: 427 total cpu time spent up to now is 112.8 secs Computing kpt #: 428 total cpu time spent up to now is 113.0 secs Computing kpt #: 429 total cpu time spent up to now is 113.2 secs Computing kpt #: 430 total cpu time spent up to now is 113.5 secs Computing kpt #: 431 total cpu time spent up to now is 113.7 secs Computing kpt #: 432 total cpu time spent up to now is 113.9 secs Computing kpt #: 433 total cpu time spent up to now is 114.2 secs Computing kpt #: 434 total cpu time spent up to now is 114.4 secs Computing kpt #: 435 total cpu time spent up to now is 114.7 secs Computing kpt #: 436 total cpu time spent up to now is 114.9 secs Computing kpt #: 437 total cpu time spent up to now is 115.2 secs Computing kpt #: 438 total cpu time spent up to now is 115.4 secs Computing kpt #: 439 total cpu time spent up to now is 115.7 secs Computing kpt #: 440 total cpu time spent up to now is 115.9 secs Computing kpt #: 441 total cpu time spent up to now is 116.2 secs ethr = 2.27E-08, avg # of iterations = 19.0 total cpu time spent up to now is 116.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1743 PWs) bands (ev): 2.9983 2.9983 5.2919 5.2919 5.3399 5.3399 5.6571 5.6571 5.6925 5.6925 5.7970 5.7970 8.0532 8.0532 8.9650 8.9650 9.1517 9.1517 9.2960 9.2960 9.3424 9.3424 9.6477 9.6477 10.3545 10.3545 10.4315 10.4315 10.7802 10.7802 11.1983 11.1983 11.7119 11.7119 11.8451 11.8451 11.8569 11.8569 12.2728 12.2728 12.3341 12.3341 13.7420 13.7420 13.7762 13.7762 13.7771 13.7771 18.9730 18.9730 19.4373 19.4373 k = 0.0000 0.0114-0.0000 ( 1743 PWs) bands (ev): 2.9999 2.9999 5.2921 5.2921 5.3401 5.3401 5.6572 5.6572 5.6926 5.6926 5.7971 5.7971 8.0537 8.0537 8.9653 8.9653 9.1519 9.1519 9.2961 9.2961 9.3425 9.3425 9.6471 9.6471 10.3539 10.3539 10.4309 10.4309 10.7798 10.7798 11.1964 11.1964 11.7107 11.7107 11.8440 11.8440 11.8566 11.8566 12.2715 12.2715 12.3327 12.3327 13.7439 13.7439 13.7700 13.7700 13.7814 13.7814 18.9775 18.9775 19.4437 19.4437 k = 0.0000 0.0227-0.0000 ( 1743 PWs) bands (ev): 3.0045 3.0045 5.2927 5.2927 5.3408 5.3408 5.6576 5.6576 5.6930 5.6930 5.7974 5.7974 8.0552 8.0552 8.9661 8.9661 9.1526 9.1526 9.2964 9.2964 9.3429 9.3429 9.6455 9.6455 10.3520 10.3520 10.4291 10.4291 10.7785 10.7785 11.1906 11.1906 11.7072 11.7072 11.8409 11.8409 11.8559 11.8559 12.2672 12.2672 12.3288 12.3288 13.7287 13.7287 13.7710 13.7710 13.7957 13.7957 18.9901 18.9901 19.4580 19.4580 k = 0.0000 0.0341-0.0000 ( 1743 PWs) bands (ev): 3.0121 3.0121 5.2937 5.2937 5.3419 5.3419 5.6582 5.6582 5.6936 5.6936 5.7978 5.7978 8.0576 8.0576 8.9676 8.9676 9.1537 9.1537 9.2968 9.2968 9.3436 9.3436 9.6429 9.6429 10.3487 10.3487 10.4261 10.4261 10.7764 10.7764 11.1810 11.1810 11.7013 11.7013 11.8358 11.8358 11.8547 11.8547 12.2591 12.2591 12.3236 12.3236 13.6832 13.6832 13.7934 13.7934 13.8194 13.8194 19.0083 19.0083 19.4688 19.4688 k = 0.0000 0.0455-0.0000 ( 1743 PWs) bands (ev): 3.0229 3.0229 5.2950 5.2950 5.3434 5.3434 5.6590 5.6590 5.6945 5.6945 5.7983 5.7983 8.0610 8.0610 8.9696 8.9696 9.1551 9.1551 9.2975 9.2975 9.3446 9.3446 9.6391 9.6391 10.3440 10.3440 10.4222 10.4222 10.7734 10.7734 11.1675 11.1675 11.6932 11.6932 11.8288 11.8288 11.8531 11.8531 12.2465 12.2465 12.3183 12.3183 13.6188 13.6188 13.8268 13.8268 13.8520 13.8520 19.0289 19.0289 19.4754 19.4754 k = 0.0000 0.0568-0.0000 ( 1743 PWs) bands (ev): 3.0366 3.0366 5.2967 5.2967 5.3454 5.3454 5.6601 5.6601 5.6957 5.6957 5.7990 5.7990 8.0654 8.0654 8.9722 8.9722 9.1569 9.1569 9.2984 9.2984 9.3458 9.3458 9.6343 9.6343 10.3377 10.3377 10.4175 10.4175 10.7695 10.7695 11.1502 11.1502 11.6832 11.6832 11.8202 11.8202 11.8511 11.8511 12.2292 12.2292 12.3139 12.3139 13.5390 13.5390 13.8691 13.8691 13.8929 13.8929 19.0495 19.0495 19.4808 19.4808 k = 0.0000 0.0682-0.0000 ( 1743 PWs) bands (ev): 3.0535 3.0535 5.2988 5.2988 5.3478 5.3478 5.6614 5.6614 5.6970 5.6970 5.7999 5.7999 8.0706 8.0706 8.9753 8.9753 9.1590 9.1590 9.2994 9.2994 9.3473 9.3473 9.6284 9.6284 10.3297 10.3297 10.4123 10.4123 10.7648 10.7648 11.1293 11.1293 11.6714 11.6714 11.8099 11.8099 11.8487 11.8487 12.2075 12.2075 12.3105 12.3105 13.4461 13.4461 13.9193 13.9193 13.9417 13.9417 19.0688 19.0688 19.4864 19.4864 k = 0.0000 0.0795-0.0000 ( 1735 PWs) bands (ev): 3.0733 3.0733 5.3012 5.3012 5.3507 5.3507 5.6629 5.6629 5.6987 5.6987 5.8009 5.8009 8.0768 8.0768 8.9791 8.9791 9.1613 9.1613 9.3007 9.3007 9.3490 9.3490 9.6215 9.6215 10.3199 10.3199 10.4067 10.4067 10.7594 10.7594 11.1048 11.1048 11.6583 11.6583 11.7982 11.7982 11.8460 11.8460 12.1825 12.1825 12.3080 12.3080 13.3425 13.3425 13.9767 13.9767 13.9978 13.9978 19.0865 19.0865 19.4926 19.4926 k = 0.0000 0.0909-0.0000 ( 1739 PWs) bands (ev): 3.0962 3.0962 5.3039 5.3039 5.3539 5.3539 5.6646 5.6646 5.7006 5.7006 5.8021 5.8021 8.0837 8.0837 8.9831 8.9831 9.1635 9.1635 9.3020 9.3020 9.3509 9.3509 9.6135 9.6135 10.3080 10.3080 10.4009 10.4009 10.7528 10.7528 11.0769 11.0769 11.6439 11.6439 11.7845 11.7845 11.8427 11.8427 12.1549 12.1549 12.3060 12.3060 13.2304 13.2304 14.0407 14.0407 14.0605 14.0605 19.1027 19.1027 19.4995 19.4995 k = 0.0000 0.1023-0.0000 ( 1731 PWs) bands (ev): 3.1221 3.1221 5.3070 5.3070 5.3576 5.3576 5.6666 5.6666 5.7028 5.7028 5.8035 5.8035 8.0913 8.0913 8.9883 8.9883 9.1657 9.1657 9.3037 9.3037 9.3532 9.3532 9.6046 9.6046 10.2945 10.2945 10.3951 10.3951 10.7455 10.7455 11.0458 11.0458 11.6288 11.6288 11.7689 11.7689 11.8391 11.8391 12.1255 12.1255 12.3045 12.3045 13.1123 13.1123 14.1106 14.1106 14.1293 14.1293 19.1180 19.1180 19.5073 19.5073 k = 0.0000 0.1136-0.0000 ( 1731 PWs) bands (ev): 3.1510 3.1510 5.3103 5.3103 5.3616 5.3616 5.6687 5.6687 5.7052 5.7052 5.8050 5.8050 8.0995 8.0995 8.9937 8.9937 9.1676 9.1676 9.3055 9.3055 9.3556 9.3556 9.5947 9.5947 10.2793 10.2793 10.3892 10.3892 10.7373 10.7373 11.0118 11.0118 11.6130 11.6130 11.7507 11.7507 11.8351 11.8351 12.0949 12.0949 12.3032 12.3032 12.9904 12.9904 14.1858 14.1858 14.2037 14.2037 19.1328 19.1328 19.5159 19.5159 k = 0.0000 0.1250-0.0000 ( 1731 PWs) bands (ev): 3.1829 3.1829 5.3138 5.3138 5.3660 5.3660 5.6711 5.6711 5.7078 5.7078 5.8065 5.8065 8.1081 8.1081 8.9997 8.9997 9.1688 9.1688 9.3075 9.3075 9.3583 9.3583 9.5840 9.5840 10.2625 10.2625 10.3833 10.3833 10.7283 10.7283 10.9751 10.9751 11.5969 11.5969 11.7295 11.7295 11.8306 11.8306 12.0636 12.0636 12.3020 12.3020 12.8671 12.8671 14.2659 14.2659 14.2832 14.2832 19.1474 19.1474 19.5254 19.5254 k = 0.0000 0.1364-0.0000 ( 1739 PWs) bands (ev): 3.2177 3.2177 5.3175 5.3175 5.3707 5.3707 5.6735 5.6735 5.7106 5.7106 5.8082 5.8082 8.1172 8.1172 9.0061 9.0061 9.1691 9.1691 9.3096 9.3096 9.3610 9.3610 9.5726 9.5726 10.2441 10.2441 10.3773 10.3773 10.7182 10.7182 10.9362 10.9362 11.5802 11.5802 11.7044 11.7044 11.8254 11.8254 12.0321 12.0321 12.3010 12.3010 12.7448 12.7448 14.3504 14.3504 14.3673 14.3673 19.1622 19.1622 19.5358 19.5358 k = 0.0000 0.1477-0.0000 ( 1739 PWs) bands (ev): 3.2554 3.2554 5.3215 5.3215 5.3758 5.3758 5.6762 5.6762 5.7137 5.7137 5.8100 5.8100 8.1265 8.1265 9.0132 9.0132 9.1681 9.1681 9.3120 9.3120 9.3639 9.3639 9.5608 9.5608 10.2247 10.2247 10.3714 10.3714 10.7074 10.7074 10.8953 10.8953 11.5633 11.5633 11.6746 11.6746 11.8198 11.8198 12.0007 12.0007 12.3000 12.3000 12.6257 12.6257 14.4390 14.4390 14.4558 14.4558 19.1773 19.1773 19.5471 19.5471 k = 0.0000 0.1591-0.0000 ( 1739 PWs) bands (ev): 3.2961 3.2961 5.3257 5.3257 5.3812 5.3812 5.6790 5.6790 5.7170 5.7170 5.8119 5.8119 8.1358 8.1358 9.0208 9.0208 9.1653 9.1653 9.3146 9.3146 9.3670 9.3670 9.5487 9.5487 10.2044 10.2044 10.3653 10.3653 10.6956 10.6956 10.8528 10.8528 11.5457 11.5457 11.6392 11.6392 11.8133 11.8133 11.9700 11.9700 12.2991 12.2991 12.5127 12.5127 14.5314 14.5314 14.5483 14.5483 19.1930 19.1930 19.5595 19.5595 k = 0.0000 0.1705-0.0000 ( 1723 PWs) bands (ev): 3.3396 3.3396 5.3302 5.3302 5.3871 5.3871 5.6821 5.6821 5.7207 5.7207 5.8141 5.8141 8.1450 8.1450 9.0293 9.0293 9.1602 9.1602 9.3178 9.3178 9.3705 9.3705 9.5369 9.5369 10.1834 10.1834 10.3593 10.3593 10.6829 10.6829 10.8093 10.8093 11.5265 11.5265 11.5980 11.5980 11.8057 11.8057 11.9407 11.9407 12.2983 12.2983 12.4081 12.4081 14.6273 14.6273 14.6445 14.6445 19.2093 19.2093 19.5727 19.5727 k = 0.0000 0.1818-0.0000 ( 1723 PWs) bands (ev): 3.3859 3.3859 5.3346 5.3346 5.3931 5.3931 5.6852 5.6852 5.7244 5.7244 5.8162 5.8162 8.1535 8.1535 9.0381 9.0381 9.1520 9.1520 9.3210 9.3210 9.3738 9.3738 9.5257 9.5257 10.1618 10.1618 10.3530 10.3530 10.6692 10.6692 10.7647 10.7647 11.5010 11.5010 11.5542 11.5542 11.7965 11.7965 11.9131 11.9131 12.2963 12.2963 12.3152 12.3152 14.7264 14.7264 14.7442 14.7442 19.2264 19.2264 19.5870 19.5870 k = 0.0000 0.1932-0.0000 ( 1723 PWs) bands (ev): 3.4351 3.4351 5.3392 5.3392 5.3994 5.3994 5.6885 5.6885 5.7284 5.7284 5.8184 5.8184 8.1610 8.1610 9.0474 9.0474 9.1403 9.1403 9.3245 9.3245 9.3772 9.3772 9.5156 9.5156 10.1398 10.1398 10.3465 10.3465 10.6545 10.6545 10.7195 10.7195 11.4570 11.4570 11.5197 11.5197 11.7850 11.7850 11.8882 11.8882 12.2316 12.2316 12.2972 12.2972 14.8285 14.8285 14.8473 14.8473 19.2443 19.2443 19.6023 19.6023 k = 0.0000 0.2045-0.0000 ( 1723 PWs) bands (ev): 3.4869 3.4869 5.3438 5.3438 5.4059 5.4059 5.6918 5.6918 5.7326 5.7326 5.8206 5.8206 8.1671 8.1671 9.0572 9.0572 9.1245 9.1245 9.3283 9.3283 9.3808 9.3808 9.5071 9.5071 10.1177 10.1177 10.3399 10.3399 10.6383 10.6383 10.6744 10.6744 11.3926 11.3926 11.4972 11.4972 11.7705 11.7705 11.8670 11.8670 12.1622 12.1622 12.2963 12.2963 14.9335 14.9335 14.9533 14.9533 19.2632 19.2632 19.6186 19.6186 k = 0.0000 0.2159-0.0000 ( 1727 PWs) bands (ev): 3.5415 3.5415 5.3485 5.3485 5.4127 5.4127 5.6952 5.6952 5.7370 5.7370 5.8229 5.8229 8.1712 8.1712 9.0674 9.0674 9.1045 9.1045 9.3321 9.3321 9.3842 9.3842 9.5007 9.5007 10.0957 10.0957 10.3331 10.3331 10.6173 10.6173 10.6330 10.6330 11.3170 11.3170 11.4790 11.4790 11.7527 11.7527 11.8497 11.8497 12.1043 12.1043 12.2954 12.2954 15.0413 15.0413 15.0623 15.0623 19.2831 19.2831 19.6359 19.6359 k = 0.0000 0.2273-0.0000 ( 1731 PWs) bands (ev): 3.5987 3.5987 5.3532 5.3532 5.4197 5.4197 5.6986 5.6986 5.7416 5.7416 5.8252 5.8252 8.1723 8.1723 9.0757 9.0757 9.0828 9.0828 9.3360 9.3360 9.3877 9.3877 9.4965 9.4965 10.0739 10.0739 10.3261 10.3261 10.5784 10.5784 10.6086 10.6086 11.2355 11.2355 11.4624 11.4624 11.7320 11.7320 11.8363 11.8363 12.0562 12.0562 12.2946 12.2946 15.1516 15.1516 15.1741 15.1741 19.3040 19.3040 19.6542 19.6542 k = 0.0000 0.2386-0.0000 ( 1719 PWs) bands (ev): 3.6584 3.6584 5.3581 5.3581 5.4270 5.4270 5.7023 5.7023 5.7465 5.7465 5.8277 5.8277 8.1698 8.1698 9.0518 9.0518 9.0903 9.0903 9.3399 9.3399 9.3915 9.3915 9.4951 9.4951 10.0525 10.0525 10.3189 10.3189 10.5338 10.5338 10.5894 10.5894 11.1518 11.1518 11.4468 11.4468 11.7096 11.7096 11.8259 11.8259 12.0164 12.0164 12.2939 12.2939 15.2644 15.2644 15.2884 15.2884 19.3261 19.3261 19.6736 19.6736 k = 0.0000 0.2500-0.0000 ( 1707 PWs) bands (ev): 3.7206 3.7206 5.3629 5.3629 5.4345 5.4345 5.7060 5.7060 5.7517 5.7517 5.8302 5.8302 8.1623 8.1623 9.0216 9.0216 9.1024 9.1024 9.3435 9.3435 9.3951 9.3951 9.4960 9.4960 10.0318 10.0318 10.3113 10.3113 10.4890 10.4890 10.5700 10.5700 11.0684 11.0684 11.4316 11.4316 11.6860 11.6860 11.8173 11.8173 11.9830 11.9830 12.2932 12.2932 15.3796 15.3796 15.4052 15.4052 19.3492 19.3492 19.6939 19.6939 k = 0.0000 0.2614-0.0000 ( 1715 PWs) bands (ev): 3.7852 3.7852 5.3676 5.3676 5.4421 5.4421 5.7095 5.7095 5.7569 5.7569 5.8326 5.8326 8.1484 8.1484 8.9898 8.9898 9.1147 9.1147 9.3465 9.3465 9.3985 9.3985 9.4991 9.4991 10.0117 10.0117 10.3030 10.3030 10.4449 10.4449 10.5497 10.5497 10.9874 10.9874 11.4167 11.4167 11.6619 11.6619 11.8099 11.8099 11.9544 11.9544 12.2922 12.2922 15.4971 15.4971 15.5244 15.5244 19.3736 19.3736 19.7153 19.7153 k = 0.0000 0.2727-0.0000 ( 1715 PWs) bands (ev): 3.8520 3.8520 5.3722 5.3722 5.4499 5.4499 5.7131 5.7131 5.7624 5.7624 5.8351 5.8351 8.1265 8.1265 8.9585 8.9585 9.1276 9.1276 9.3491 9.3491 9.4019 9.4019 9.5044 9.5044 9.9924 9.9924 10.2938 10.2938 10.4023 10.4023 10.5284 10.5284 10.9104 10.9104 11.4022 11.4022 11.6379 11.6379 11.8035 11.8035 11.9296 11.9296 12.2915 12.2915 15.6169 15.6169 15.6458 15.6458 19.3991 19.3991 19.7376 19.7376 k = 0.0000 0.2841-0.0000 ( 1719 PWs) bands (ev): 3.9209 3.9209 5.3768 5.3768 5.4580 5.4580 5.7166 5.7166 5.7681 5.7681 5.8375 5.8375 8.0953 8.0953 8.9293 8.9293 9.1409 9.1409 9.3511 9.3511 9.4051 9.4051 9.5114 9.5114 9.9741 9.9741 10.2821 10.2821 10.3625 10.3625 10.5062 10.5062 10.8387 10.8387 11.3880 11.3880 11.6143 11.6143 11.7976 11.7976 11.9078 11.9078 12.2908 12.2908 15.7388 15.7388 15.7695 15.7695 19.4257 19.4257 19.7609 19.7609 k = 0.0000 0.2955-0.0000 ( 1727 PWs) bands (ev): 3.9918 3.9918 5.3813 5.3813 5.4663 5.4663 5.7201 5.7201 5.7740 5.7740 5.8399 5.8399 8.0536 8.0536 8.9038 8.9038 9.1546 9.1546 9.3526 9.3526 9.4085 9.4085 9.5200 9.5200 9.9567 9.9567 10.2658 10.2658 10.3285 10.3285 10.4826 10.4826 10.7727 10.7727 11.3742 11.3742 11.5911 11.5911 11.7922 11.7922 11.8882 11.8882 12.2901 12.2901 15.8628 15.8628 15.8952 15.8952 19.4536 19.4536 19.7851 19.7851 k = 0.0000 0.3068-0.0000 ( 1727 PWs) bands (ev): 4.0644 4.0644 5.3856 5.3856 5.4749 5.4749 5.7236 5.7236 5.7803 5.7803 5.8423 5.8423 8.0007 8.0007 8.8833 8.8833 9.1688 9.1688 9.3535 9.3535 9.4118 9.4118 9.5299 9.5299 9.9405 9.9405 10.2407 10.2407 10.3042 10.3042 10.4583 10.4583 10.7131 10.7131 11.3608 11.3608 11.5688 11.5688 11.7871 11.7871 11.8707 11.8707 12.2895 12.2895 15.9889 15.9889 16.0229 16.0229 19.4827 19.4827 19.8102 19.8102 k = 0.0000 0.3182-0.0000 ( 1727 PWs) bands (ev): 4.1385 4.1385 5.3899 5.3899 5.4838 5.4838 5.7270 5.7270 5.7870 5.7870 5.8447 5.8447 7.9366 7.9366 8.8684 8.8684 9.1834 9.1834 9.3539 9.3539 9.4152 9.4152 9.5407 9.5407 9.9253 9.9253 10.2079 10.2079 10.2888 10.2888 10.4331 10.4331 10.6597 10.6597 11.3479 11.3479 11.5473 11.5473 11.7824 11.7824 11.8547 11.8547 12.2889 12.2889 16.1169 16.1169 16.1526 16.1526 19.5130 19.5130 19.8360 19.8360 k = 0.0000 0.3295-0.0000 ( 1727 PWs) bands (ev): 4.2139 4.2139 5.3939 5.3939 5.4931 5.4931 5.7303 5.7303 5.7940 5.7940 5.8471 5.8471 7.8622 7.8622 8.8588 8.8588 9.1984 9.1984 9.3538 9.3538 9.4186 9.4186 9.5523 9.5523 9.9111 9.9111 10.1719 10.1719 10.2776 10.2776 10.4075 10.4075 10.6123 10.6123 11.3355 11.3355 11.5267 11.5267 11.7780 11.7780 11.8402 11.8402 12.2883 12.2883 16.2469 16.2469 16.2842 16.2842 19.5444 19.5444 19.8626 19.8626 k = 0.0000 0.3409-0.0000 ( 1727 PWs) bands (ev): 4.2901 4.2901 5.3979 5.3979 5.5028 5.5028 5.7335 5.7335 5.8016 5.8016 5.8495 5.8495 7.7784 7.7784 8.8542 8.8542 9.2136 9.2136 9.3533 9.3533 9.4221 9.4221 9.5644 9.5644 9.8979 9.8979 10.1355 10.1355 10.2681 10.2681 10.3818 10.3818 10.5705 10.5705 11.3236 11.3236 11.5072 11.5072 11.7738 11.7738 11.8268 11.8268 12.2878 12.2878 16.3787 16.3787 16.4176 16.4176 19.5769 19.5769 19.8896 19.8896 k = 0.0000 0.3523-0.0000 ( 1723 PWs) bands (ev): 4.3667 4.3667 5.4016 5.4016 5.5132 5.5132 5.7366 5.7366 5.8098 5.8098 5.8519 5.8519 7.6869 7.6869 8.8537 8.8537 9.2290 9.2290 9.3525 9.3525 9.4256 9.4256 9.5769 9.5769 9.8855 9.8855 10.0999 10.0999 10.2590 10.2590 10.3567 10.3567 10.5337 10.5337 11.3122 11.3122 11.4887 11.4887 11.7697 11.7697 11.8149 11.8149 12.2872 12.2872 16.5123 16.5123 16.5528 16.5528 19.6104 19.6104 19.9169 19.9169 k = 0.0000 0.3636-0.0000 ( 1719 PWs) bands (ev): 4.4432 4.4432 5.4052 5.4052 5.5242 5.5242 5.7396 5.7396 5.8187 5.8187 5.8545 5.8545 7.5889 7.5889 8.8565 8.8565 9.2445 9.2445 9.3515 9.3515 9.4291 9.4291 9.5894 9.5894 9.8737 9.8737 10.0658 10.0658 10.2498 10.2498 10.3331 10.3331 10.5012 10.5012 11.3016 11.3016 11.4713 11.4713 11.7659 11.7659 11.8039 11.8039 12.2867 12.2867 16.6476 16.6476 16.6897 16.6897 19.6448 19.6448 19.9442 19.9442 k = 0.0000 0.3750-0.0000 ( 1719 PWs) bands (ev): 4.5190 4.5190 5.4085 5.4085 5.5359 5.5359 5.7424 5.7424 5.8285 5.8285 5.8574 5.8574 7.4860 7.4860 8.8618 8.8618 9.2597 9.2597 9.3505 9.3505 9.4328 9.4328 9.6019 9.6019 9.8621 9.8621 10.0337 10.0337 10.2397 10.2397 10.3117 10.3117 10.4722 10.4722 11.2914 11.2914 11.4552 11.4552 11.7620 11.7620 11.7940 11.7940 12.2863 12.2863 16.7847 16.7847 16.8282 16.8282 19.6799 19.6799 19.9706 19.9706 k = 0.0000 0.3864-0.0000 ( 1711 PWs) bands (ev): 4.5931 4.5931 5.4117 5.4117 5.5485 5.5485 5.7451 5.7451 5.8388 5.8388 5.8616 5.8616 7.3795 7.3795 8.8689 8.8689 9.2745 9.2745 9.3499 9.3499 9.4365 9.4365 9.6141 9.6141 9.8505 9.8505 10.0043 10.0043 10.2283 10.2283 10.2937 10.2937 10.4463 10.4463 11.2822 11.2822 11.4404 11.4404 11.7582 11.7582 11.7854 11.7854 12.2859 12.2859 16.9233 16.9233 16.9684 16.9684 19.7155 19.7155 19.9901 19.9901 k = 0.0000 0.3977-0.0000 ( 1711 PWs) bands (ev): 4.6648 4.6648 5.4146 5.4146 5.5619 5.5619 5.7476 5.7476 5.8477 5.8477 5.8693 5.8693 7.2705 7.2705 8.8771 8.8771 9.2880 9.2880 9.3502 9.3502 9.4403 9.4403 9.6258 9.6258 9.8381 9.8381 9.9780 9.9780 10.2154 10.2154 10.2792 10.2792 10.4232 10.4232 11.2735 11.2735 11.4267 11.4267 11.7541 11.7541 11.7780 11.7780 12.2855 12.2855 17.0634 17.0634 17.1101 17.1101 19.7509 19.7509 19.9044 19.9044 k = 0.0000 0.4091-0.0000 ( 1703 PWs) bands (ev): 4.7329 4.7329 5.4173 5.4173 5.5761 5.5761 5.7500 5.7500 5.8534 5.8534 5.8836 5.8836 7.1603 7.1603 8.8861 8.8861 9.2997 9.2997 9.3522 9.3522 9.4442 9.4442 9.6369 9.6369 9.8245 9.8245 9.9556 9.9556 10.2015 10.2015 10.2682 10.2682 10.4026 10.4026 11.2656 11.2656 11.4144 11.4144 11.7500 11.7500 11.7720 11.7720 12.2852 12.2852 17.2049 17.2049 17.2531 17.2531 19.7404 19.7404 19.7783 19.7783 k = 0.0000 0.4205-0.0000 ( 1710 PWs) bands (ev): 4.7962 4.7962 5.4197 5.4197 5.5906 5.5906 5.7520 5.7520 5.8565 5.8565 5.9045 5.9045 7.0498 7.0498 8.8948 8.8948 9.3081 9.3081 9.3566 9.3566 9.4483 9.4483 9.6470 9.6470 9.8095 9.8095 9.9371 9.9371 10.1874 10.1874 10.2598 10.2598 10.3843 10.3843 11.2583 11.2583 11.4032 11.4032 11.7457 11.7457 11.7671 11.7671 12.2849 12.2849 17.3475 17.3475 17.3975 17.3975 19.5761 19.5761 19.6312 19.6312 k = 0.0000 0.4318-0.0000 ( 1710 PWs) bands (ev): 4.8533 4.8533 5.4218 5.4218 5.6052 5.6052 5.7539 5.7539 5.8585 5.8585 5.9321 5.9321 6.9402 6.9402 8.9032 8.9032 9.3133 9.3133 9.3636 9.3636 9.4527 9.4527 9.6560 9.6560 9.7935 9.7935 9.9230 9.9230 10.1738 10.1738 10.2535 10.2535 10.3682 10.3682 11.2520 11.2520 11.3937 11.3937 11.7415 11.7415 11.7634 11.7634 12.2846 12.2846 17.4910 17.4910 17.5430 17.5430 19.4124 19.4124 19.4688 19.4688 k = 0.0000 0.4432-0.0000 ( 1710 PWs) bands (ev): 4.9032 4.9032 5.4236 5.4236 5.6190 5.6190 5.7555 5.7555 5.8600 5.8600 5.9668 5.9668 6.8325 6.8325 8.9109 8.9109 9.3158 9.3158 9.3721 9.3721 9.4575 9.4575 9.6637 9.6637 9.7772 9.7772 9.9126 9.9126 10.1616 10.1616 10.2486 10.2486 10.3545 10.3545 11.2466 11.2466 11.3855 11.3855 11.7376 11.7376 11.7605 11.7605 12.2844 12.2844 17.6349 17.6349 17.6893 17.6893 19.2506 19.2506 19.3085 19.3085 k = 0.0000 0.4545-0.0000 ( 1706 PWs) bands (ev): 4.9449 4.9449 5.4252 5.4252 5.6313 5.6313 5.7570 5.7570 5.8611 5.8611 6.0091 6.0091 6.7283 6.7283 8.9177 8.9177 9.3167 9.3167 9.3807 9.3807 9.4625 9.4625 9.6699 9.6699 9.7617 9.7617 9.9053 9.9053 10.1511 10.1511 10.2448 10.2448 10.3431 10.3431 11.2422 11.2422 11.3788 11.3788 11.7342 11.7342 11.7584 11.7584 12.2842 12.2842 17.7781 17.7781 17.8359 17.8359 19.0913 19.0913 19.1516 19.1516 k = 0.0000 0.4659-0.0000 ( 1706 PWs) bands (ev): 4.9777 4.9777 5.4264 5.4264 5.6413 5.6413 5.7581 5.7581 5.8619 5.8619 6.0587 6.0587 6.6294 6.6294 8.9231 8.9231 9.3169 9.3169 9.3880 9.3880 9.4675 9.4675 9.6743 9.6743 9.7483 9.7483 9.9003 9.9003 10.1427 10.1427 10.2420 10.2420 10.3342 10.3342 11.2387 11.2387 11.3736 11.3736 11.7314 11.7314 11.7568 11.7568 12.2841 12.2841 17.9186 17.9186 17.9820 17.9820 18.9356 18.9356 19.0003 19.0003 k = 0.0000 0.4773-0.0000 ( 1694 PWs) bands (ev): 5.0012 5.0012 5.4273 5.4273 5.6489 5.6489 5.7589 5.7589 5.8626 5.8626 6.1127 6.1127 6.5398 6.5398 8.9272 8.9272 9.3171 9.3171 9.3937 9.3937 9.4722 9.4722 9.6770 9.6770 9.7383 9.7383 9.8973 9.8973 10.1366 10.1366 10.2402 10.2402 10.3278 10.3278 11.2362 11.2362 11.3699 11.3699 11.7294 11.7294 11.7558 11.7558 12.2840 12.2840 18.0511 18.0511 18.1250 18.1250 18.7857 18.7857 18.8599 18.8599 k = 0.0000 0.4886-0.0000 ( 1686 PWs) bands (ev): 5.0153 5.0153 5.4278 5.4278 5.6535 5.6535 5.7594 5.7594 5.8630 5.8630 6.1626 6.1626 6.4685 6.4685 8.9297 8.9297 9.3171 9.3171 9.3971 9.3971 9.4754 9.4754 9.6781 9.6781 9.7323 9.7323 9.8956 9.8956 10.1329 10.1329 10.2390 10.2390 10.3241 10.3241 11.2348 11.2348 11.3677 11.3677 11.7283 11.7283 11.7552 11.7552 12.2840 12.2840 18.1607 18.1607 18.2564 18.2564 18.6505 18.6505 18.7455 18.7455 k = 0.0000 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.0200 5.0200 5.4280 5.4280 5.6551 5.6551 5.7596 5.7596 5.8632 5.8632 6.1861 6.1861 6.4378 6.4378 8.9305 8.9305 9.3171 9.3171 9.3982 9.3982 9.4766 9.4766 9.6783 9.6783 9.7302 9.7302 9.8951 9.8951 10.1316 10.1316 10.2387 10.2387 10.3228 10.3228 11.2342 11.2342 11.3669 11.3669 11.7279 11.7279 11.7550 11.7550 12.2840 12.2840 18.2088 18.2088 18.3280 18.3280 18.5775 18.5775 18.6957 18.6957 k = 0.0000 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.0200 5.0200 5.4280 5.4280 5.6551 5.6551 5.7596 5.7596 5.8632 5.8632 6.1861 6.1861 6.4378 6.4378 8.9305 8.9305 9.3171 9.3171 9.3982 9.3982 9.4766 9.4766 9.6783 9.6783 9.7302 9.7302 9.8951 9.8951 10.1316 10.1316 10.2387 10.2387 10.3228 10.3228 11.2342 11.2342 11.3669 11.3669 11.7279 11.7279 11.7550 11.7550 12.2840 12.2840 18.2088 18.2088 18.3280 18.3280 18.5775 18.5775 18.6957 18.6957 k = 0.0114 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.0211 5.0211 5.4281 5.4281 5.6545 5.6545 5.7597 5.7597 5.8626 5.8626 6.1885 6.1885 6.4380 6.4380 8.9310 8.9310 9.3165 9.3165 9.3983 9.3983 9.4765 9.4765 9.6785 9.6785 9.7301 9.7301 9.8946 9.8946 10.1319 10.1319 10.2382 10.2382 10.3224 10.3224 11.2347 11.2347 11.3673 11.3673 11.7281 11.7281 11.7548 11.7548 12.2830 12.2830 18.1860 18.1860 18.3226 18.3226 18.5620 18.5620 18.6908 18.6908 k = 0.0227 0.5000-0.0000 ( 1692 PWs) bands (ev): 5.0243 5.0243 5.4283 5.4283 5.6528 5.6528 5.7598 5.7598 5.8611 5.8611 6.1959 6.1959 6.4383 6.4383 8.9322 8.9322 9.3146 9.3146 9.3983 9.3983 9.4762 9.4762 9.6788 9.6788 9.7296 9.7296 9.8933 9.8933 10.1328 10.1328 10.2368 10.2368 10.3212 10.3212 11.2360 11.2360 11.3684 11.3684 11.7285 11.7285 11.7541 11.7541 12.2801 12.2801 18.1124 18.1124 18.3174 18.3174 18.5084 18.5084 18.6857 18.6857 k = 0.0341 0.5000-0.0000 ( 1698 PWs) bands (ev): 5.0297 5.0297 5.4288 5.4288 5.6500 5.6500 5.7601 5.7601 5.8586 5.8586 6.2078 6.2078 6.4389 6.4389 8.9347 8.9347 9.3114 9.3114 9.3984 9.3984 9.4757 9.4757 9.6795 9.6795 9.7288 9.7288 9.8912 9.8912 10.1342 10.1342 10.2347 10.2347 10.3193 10.3193 11.2381 11.2381 11.3703 11.3703 11.7292 11.7292 11.7530 11.7530 12.2753 12.2753 17.9934 17.9934 18.3200 18.3200 18.4139 18.4139 18.6898 18.6898 k = 0.0455 0.5000-0.0000 ( 1706 PWs) bands (ev): 5.0371 5.0371 5.4294 5.4294 5.6462 5.6462 5.7606 5.7606 5.8556 5.8556 6.2240 6.2240 6.4397 6.4397 8.9382 8.9382 9.3069 9.3069 9.3985 9.3985 9.4751 9.4751 9.6804 9.6804 9.7277 9.7277 9.8885 9.8885 10.1358 10.1358 10.2318 10.2318 10.3167 10.3167 11.2411 11.2411 11.3728 11.3728 11.7298 11.7298 11.7516 11.7516 12.2687 12.2687 17.8439 17.8439 18.2836 18.2836 18.3322 18.3322 18.7024 18.7024 k = 0.0568 0.5000-0.0000 ( 1706 PWs) bands (ev): 5.0467 5.0467 5.4303 5.4303 5.6416 5.6416 5.7612 5.7612 5.8524 5.8524 6.2441 6.2441 6.4409 6.4409 8.9426 8.9426 9.3014 9.3014 9.3987 9.3987 9.4744 9.4744 9.6815 9.6815 9.7264 9.7264 9.8852 9.8852 10.1376 10.1376 10.2284 10.2284 10.3135 10.3135 11.2449 11.2449 11.3761 11.3761 11.7304 11.7304 11.7503 11.7503 12.2603 12.2603 17.6759 17.6759 18.1342 18.1342 18.3453 18.3453 18.7216 18.7216 k = 0.0682 0.5000-0.0000 ( 1702 PWs) bands (ev): 5.0583 5.0583 5.4314 5.4314 5.6363 5.6363 5.7621 5.7621 5.8492 5.8492 6.2676 6.2676 6.4425 6.4425 8.9479 8.9479 9.2945 9.2945 9.3990 9.3990 9.4739 9.4739 9.6828 9.6828 9.7248 9.7248 9.8816 9.8816 10.1392 10.1392 10.2249 10.2249 10.3098 10.3098 11.2494 11.2494 11.3800 11.3800 11.7302 11.7302 11.7496 11.7496 12.2501 12.2501 17.4968 17.4968 17.9674 17.9674 18.3637 18.3637 18.7464 18.7464 k = 0.0795 0.5000-0.0000 ( 1706 PWs) bands (ev): 5.0718 5.0718 5.4325 5.4325 5.6304 5.6304 5.7630 5.7630 5.8460 5.8460 6.2942 6.2942 6.4445 6.4445 8.9540 8.9540 9.2861 9.2861 9.3991 9.3991 9.4733 9.4733 9.6842 9.6842 9.7228 9.7228 9.8778 9.8778 10.1401 10.1401 10.2213 10.2213 10.3055 10.3055 11.2546 11.2546 11.3846 11.3846 11.7288 11.7288 11.7497 11.7497 12.2382 12.2382 17.3114 17.3114 17.7893 17.7893 18.3860 18.3860 18.7762 18.7762 k = 0.0909 0.5000-0.0000 ( 1702 PWs) bands (ev): 5.0873 5.0873 5.4339 5.4339 5.6241 5.6241 5.7642 5.7642 5.8432 5.8432 6.3233 6.3233 6.4473 6.4473 8.9611 8.9611 9.2764 9.2764 9.3993 9.3993 9.4729 9.4729 9.6858 9.6858 9.7204 9.7204 9.8738 9.8738 10.1400 10.1400 10.2183 10.2183 10.3010 10.3010 11.2604 11.2604 11.3896 11.3896 11.7261 11.7261 11.7511 11.7511 12.2248 12.2248 17.1230 17.1230 17.6036 17.6036 18.4121 18.4121 18.8107 18.8107 k = 0.1023 0.5000-0.0000 ( 1706 PWs) bands (ev): 5.1046 5.1046 5.4352 5.4352 5.6176 5.6176 5.7656 5.7656 5.8406 5.8406 6.3543 6.3543 6.4513 6.4513 8.9690 8.9690 9.2652 9.2652 9.3994 9.3994 9.4725 9.4725 9.6873 9.6873 9.7176 9.7176 9.8698 9.8698 10.1384 10.1384 10.2160 10.2160 10.2963 10.2963 11.2667 11.2667 11.3950 11.3950 11.7218 11.7218 11.7534 11.7534 12.2098 12.2098 16.9334 16.9334 17.4131 17.4131 18.4418 18.4418 18.8499 18.8499 k = 0.1136 0.5000-0.0000 ( 1708 PWs) bands (ev): 5.1236 5.1236 5.4366 5.4366 5.6111 5.6111 5.7671 5.7671 5.8384 5.8384 6.3859 6.3859 6.4577 6.4577 8.9777 8.9777 9.2524 9.2524 9.3994 9.3994 9.4723 9.4723 9.6888 9.6888 9.7144 9.7144 9.8661 9.8661 10.1349 10.1349 10.2149 10.2149 10.2916 10.2916 11.2735 11.2735 11.4007 11.4007 11.7166 11.7166 11.7565 11.7565 12.1933 12.1933 16.7442 16.7442 17.2196 17.2196 18.4750 18.4750 18.8936 18.8936 k = 0.1250 0.5000-0.0000 ( 1700 PWs) bands (ev): 5.1441 5.1441 5.4381 5.4381 5.6050 5.6050 5.7689 5.7689 5.8365 5.8365 6.4145 6.4145 6.4698 6.4698 8.9872 8.9872 9.2382 9.2382 9.3994 9.3994 9.4723 9.4723 9.6903 9.6903 9.7112 9.7112 9.8628 9.8628 10.1295 10.1295 10.2148 10.2148 10.2871 10.2871 11.2808 11.2808 11.4068 11.4068 11.7106 11.7106 11.7601 11.7601 12.1756 12.1756 16.5564 16.5564 17.0246 17.0246 18.5117 18.5117 18.9415 18.9415 k = 0.1364 0.5000-0.0000 ( 1708 PWs) bands (ev): 5.1660 5.1660 5.4393 5.4393 5.5992 5.5992 5.7707 5.7707 5.8349 5.8349 6.4343 6.4343 6.4936 6.4936 8.9971 8.9971 9.2222 9.2222 9.3992 9.3992 9.4722 9.4722 9.6912 9.6912 9.7079 9.7079 9.8597 9.8597 10.1223 10.1223 10.2154 10.2154 10.2828 10.2828 11.2882 11.2882 11.4129 11.4129 11.7039 11.7039 11.7639 11.7639 12.1566 12.1566 16.3707 16.3707 16.8292 16.8292 18.5518 18.5518 18.9937 18.9937 k = 0.1477 0.5000-0.0000 ( 1708 PWs) bands (ev): 5.1892 5.1892 5.4405 5.4405 5.5942 5.5942 5.7727 5.7727 5.8338 5.8338 6.4455 6.4455 6.5286 6.5286 9.0075 9.0075 9.2047 9.2047 9.3989 9.3989 9.4725 9.4725 9.6912 9.6912 9.7052 9.7052 9.8571 9.8571 10.1137 10.1137 10.2164 10.2164 10.2794 10.2794 11.2960 11.2960 11.4193 11.4193 11.6965 11.6965 11.7680 11.7680 12.1364 12.1364 16.1879 16.1879 16.6343 16.6343 18.5954 18.5954 19.0501 19.0501 k = 0.1591 0.5000-0.0000 ( 1708 PWs) bands (ev): 5.2132 5.2132 5.4415 5.4415 5.5903 5.5903 5.7750 5.7750 5.8329 5.8329 6.4533 6.4533 6.5698 6.5698 9.0182 9.0182 9.1857 9.1857 9.3984 9.3984 9.4730 9.4730 9.6897 9.6897 9.7037 9.7037 9.8550 9.8550 10.1039 10.1039 10.2172 10.2172 10.2770 10.2770 11.3039 11.3039 11.4257 11.4257 11.6885 11.6885 11.7722 11.7722 12.1152 12.1152 16.0083 16.0083 16.4405 16.4405 18.6424 18.6424 19.1104 19.1104 k = 0.1705 0.5000-0.0000 ( 1704 PWs) bands (ev): 5.2378 5.2378 5.4423 5.4423 5.5877 5.5877 5.7774 5.7774 5.8324 5.8324 6.4603 6.4603 6.6145 6.6145 9.0290 9.0290 9.1652 9.1652 9.3979 9.3979 9.4736 9.4736 9.6867 9.6867 9.7037 9.7037 9.8535 9.8535 10.0932 10.0932 10.2174 10.2174 10.2759 10.2759 11.3120 11.3120 11.4320 11.4320 11.6799 11.6799 11.7764 11.7764 12.0932 12.0932 15.8323 15.8323 16.2484 16.2484 18.6927 18.6927 19.1747 19.1747 k = 0.1818 0.5000-0.0000 ( 1704 PWs) bands (ev): 5.2625 5.2625 5.4427 5.4427 5.5867 5.5867 5.7800 5.7800 5.8321 5.8321 6.4674 6.4674 6.6617 6.6617 9.0395 9.0395 9.1433 9.1433 9.3971 9.3971 9.4743 9.4743 9.6829 9.6829 9.7043 9.7043 9.8525 9.8525 10.0819 10.0819 10.2166 10.2166 10.2762 10.2762 11.3201 11.3201 11.4382 11.4382 11.6707 11.6707 11.7805 11.7805 12.0703 12.0703 15.6603 15.6603 16.0586 16.0586 18.7463 18.7463 19.2427 19.2427 k = 0.1932 0.5000-0.0000 ( 1708 PWs) bands (ev): 5.2870 5.2870 5.4429 5.4429 5.5876 5.5876 5.7826 5.7826 5.8322 5.8322 6.4752 6.4752 6.7111 6.7111 9.0486 9.0486 9.1207 9.1207 9.3962 9.3962 9.4752 9.4752 9.6787 9.6787 9.7053 9.7053 9.8519 9.8519 10.0702 10.0702 10.2150 10.2150 10.2779 10.2779 11.3282 11.3282 11.4442 11.4442 11.6613 11.6613 11.7845 11.7845 12.0467 12.0467 15.4926 15.4926 15.8713 15.8713 18.8032 18.8032 19.3145 19.3145 k = 0.2045 0.5000-0.0000 ( 1708 PWs) bands (ev): 5.3104 5.3104 5.4429 5.4429 5.5911 5.5911 5.7855 5.7855 5.8325 5.8325 6.4839 6.4839 6.7624 6.7624 9.0530 9.0530 9.1011 9.1011 9.3951 9.3951 9.4761 9.4761 9.6748 9.6748 9.7064 9.7064 9.8518 9.8518 10.0582 10.0582 10.2127 10.2127 10.2807 10.2807 11.3363 11.3363 11.4498 11.4498 11.6512 11.6512 11.7882 11.7882 12.0227 12.0227 15.3295 15.3295 15.6871 15.6871 18.8633 18.8633 19.3899 19.3899 k = 0.2159 0.5000-0.0000 ( 1704 PWs) bands (ev): 5.3320 5.3320 5.4430 5.4430 5.5972 5.5972 5.7884 5.7884 5.8333 5.8333 6.4937 6.4937 6.8154 6.8154 9.0434 9.0434 9.0934 9.0934 9.3938 9.3938 9.4771 9.4771 9.6714 9.6714 9.7075 9.7075 9.8522 9.8522 10.0461 10.0461 10.2099 10.2099 10.2842 10.2842 11.3443 11.3443 11.4549 11.4549 11.6407 11.6407 11.7916 11.7916 11.9983 11.9983 15.1712 15.1712 15.5063 15.5063 18.9267 18.9267 19.4687 19.4687 k = 0.2273 0.5000-0.0000 ( 1696 PWs) bands (ev): 5.3510 5.3510 5.4435 5.4435 5.6064 5.6064 5.7915 5.7915 5.8345 5.8345 6.5050 6.5050 6.8700 6.8700 9.0192 9.0192 9.0977 9.0977 9.3924 9.3924 9.4783 9.4783 9.6687 9.6687 9.7086 9.7086 9.8530 9.8530 10.0340 10.0340 10.2070 10.2070 10.2883 10.2883 11.3522 11.3522 11.4596 11.4596 11.6299 11.6299 11.7946 11.7946 11.9736 11.9736 15.0180 15.0180 15.3292 15.3292 18.9932 18.9932 19.5510 19.5510 k = 0.2386 0.5000-0.0000 ( 1700 PWs) bands (ev): 5.3663 5.3663 5.4449 5.4449 5.6185 5.6185 5.7946 5.7946 5.8361 5.8361 6.5178 6.5178 6.9261 6.9261 8.9887 8.9887 9.1055 9.1055 9.3908 9.3908 9.4793 9.4793 9.6669 9.6669 9.7095 9.7095 9.8541 9.8541 10.0219 10.0219 10.2039 10.2039 10.2926 10.2926 11.3599 11.3599 11.4635 11.4635 11.6187 11.6187 11.7970 11.7970 11.9487 11.9487 14.8700 14.8700 15.1561 15.1561 19.0629 19.0629 19.6366 19.6366 k = 0.2500 0.5000-0.0000 ( 1700 PWs) bands (ev): 5.3773 5.3773 5.4476 5.4476 5.6336 5.6336 5.7978 5.7978 5.8384 5.8384 6.5325 6.5325 6.9836 6.9836 8.9547 8.9547 9.1137 9.1137 9.3890 9.3890 9.4805 9.4805 9.6663 9.6663 9.7104 9.7104 9.8555 9.8555 10.0101 10.0101 10.2011 10.2011 10.2970 10.2970 11.3674 11.3674 11.4666 11.4666 11.6073 11.6073 11.7987 11.7987 11.9239 11.9239 14.7275 14.7275 14.9875 14.9875 19.1357 19.1357 19.7253 19.7253 k = 0.2614 0.5000-0.0000 ( 1700 PWs) bands (ev): 5.3839 5.3839 5.4519 5.4519 5.6510 5.6510 5.8010 5.8010 5.8414 5.8414 6.5493 6.5493 7.0422 7.0422 8.9180 8.9180 9.1213 9.1213 9.3871 9.3871 9.4819 9.4819 9.6670 9.6670 9.7112 9.7112 9.8573 9.8573 9.9985 9.9985 10.1986 10.1986 10.3013 10.3013 11.3745 11.3745 11.4687 11.4687 11.5958 11.5958 11.7996 11.7996 11.8993 11.8993 14.5908 14.5908 14.8236 14.8236 19.2116 19.2116 19.8172 19.8172 k = 0.2727 0.5000-0.0000 ( 1694 PWs) bands (ev): 5.3869 5.3869 5.4572 5.4572 5.6701 5.6701 5.8041 5.8041 5.8456 5.8456 6.5685 6.5685 7.1018 7.1018 8.8789 8.8789 9.1278 9.1278 9.3850 9.3850 9.4835 9.4835 9.6693 9.6693 9.7119 9.7119 9.8593 9.8593 9.9874 9.9874 10.1964 10.1964 10.3053 10.3053 11.3814 11.3814 11.4695 11.4695 11.5845 11.5845 11.7994 11.7994 11.8752 11.8752 14.4598 14.4598 14.6648 14.6648 19.2905 19.2905 19.9121 19.9121 k = 0.2841 0.5000-0.0000 ( 1698 PWs) bands (ev): 5.3872 5.3872 5.4629 5.4629 5.6897 5.6897 5.8071 5.8071 5.8509 5.8509 6.5902 6.5902 7.1624 7.1624 8.8374 8.8374 9.1328 9.1328 9.3826 9.3826 9.4852 9.4852 9.6732 9.6732 9.7126 9.7126 9.8613 9.8613 9.9768 9.9768 10.1945 10.1945 10.3090 10.3090 11.3879 11.3879 11.4689 11.4689 11.5734 11.5734 11.7976 11.7976 11.8521 11.8521 14.3349 14.3349 14.5115 14.5115 19.3724 19.3724 20.0100 20.0100 k = 0.2955 0.5000-0.0000 ( 1698 PWs) bands (ev): 5.3859 5.3859 5.4685 5.4685 5.7088 5.7088 5.8099 5.8099 5.8579 5.8579 6.6149 6.6149 7.2236 7.2236 8.7936 8.7936 9.1360 9.1360 9.3801 9.3801 9.4871 9.4871 9.6788 9.6788 9.7136 9.7136 9.8634 9.8634 9.9668 9.9668 10.1930 10.1930 10.3123 10.3123 11.3940 11.3940 11.4666 11.4666 11.5630 11.5630 11.7929 11.7929 11.8314 11.8314 14.2162 14.2162 14.3641 14.3641 19.4573 19.4573 20.1106 20.1106 k = 0.3068 0.5000-0.0000 ( 1694 PWs) bands (ev): 5.3836 5.3836 5.4738 5.4738 5.7266 5.7266 5.8125 5.8125 5.8667 5.8667 6.6427 6.6427 7.2853 7.2853 8.7475 8.7475 9.1374 9.1374 9.3774 9.3774 9.4893 9.4893 9.6857 9.6857 9.7150 9.7150 9.8656 9.8656 9.9575 9.9575 10.1919 10.1919 10.3151 10.3151 11.3995 11.3995 11.4623 11.4623 11.5535 11.5535 11.7826 11.7826 11.8159 11.8159 14.1038 14.1038 14.2229 14.2229 19.5451 19.5451 20.2141 20.2141 k = 0.3182 0.5000-0.0000 ( 1698 PWs) bands (ev): 5.3806 5.3806 5.4785 5.4785 5.7422 5.7422 5.8149 5.8149 5.8775 5.8775 6.6737 6.6737 7.3472 7.3472 8.6991 8.6991 9.1367 9.1367 9.3745 9.3745 9.4916 9.4916 9.6933 9.6933 9.7179 9.7179 9.8675 9.8675 9.9492 9.9492 10.1910 10.1910 10.3171 10.3171 11.4041 11.4041 11.4561 11.4561 11.5451 11.5451 11.7658 11.7658 11.8065 11.8065 13.9978 13.9978 14.0883 14.0883 19.6359 19.6359 20.3202 20.3202 k = 0.3295 0.5000-0.0000 ( 1690 PWs) bands (ev): 5.3774 5.3774 5.4829 5.4829 5.7553 5.7553 5.8172 5.8172 5.8900 5.8900 6.7083 6.7083 7.4092 7.4092 8.6485 8.6485 9.1341 9.1341 9.3716 9.3716 9.4944 9.4944 9.6996 9.6996 9.7242 9.7242 9.8691 9.8691 9.9421 9.9421 10.1906 10.1906 10.3185 10.3185 11.4072 11.4072 11.4487 11.4487 11.5381 11.5381 11.7458 11.7458 11.7999 11.7999 13.8982 13.8982 13.9609 13.9609 19.7294 19.7294 20.4290 20.4290 k = 0.3409 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.3740 5.3740 5.4868 5.4868 5.7659 5.7659 5.8194 5.8194 5.9038 5.9038 6.7463 6.7463 7.4708 7.4708 8.5958 8.5958 9.1296 9.1296 9.3685 9.3685 9.4969 9.4969 9.7033 9.7033 9.7352 9.7352 9.8701 9.8701 9.9362 9.9362 10.1905 10.1905 10.3191 10.3191 11.4071 11.4071 11.4417 11.4417 11.5321 11.5321 11.7250 11.7250 11.7939 11.7939 13.8050 13.8050 13.8414 13.8414 19.8258 19.8258 20.5403 20.5403 k = 0.3523 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.3707 5.3707 5.4903 5.4903 5.7743 5.7743 5.8214 5.8214 5.9182 5.9182 6.7877 6.7877 7.5318 7.5318 8.5410 8.5410 9.1233 9.1233 9.3653 9.3653 9.4995 9.4995 9.7049 9.7049 9.7502 9.7502 9.8703 9.8703 9.9319 9.9319 10.1906 10.1906 10.3186 10.3186 11.4011 11.4011 11.4380 11.4380 11.5269 11.5269 11.7045 11.7045 11.7875 11.7875 13.7161 13.7161 13.7318 13.7318 19.9249 19.9249 20.6540 20.6540 k = 0.3636 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.3673 5.3673 5.4935 5.4935 5.7809 5.7809 5.8233 5.8233 5.9325 5.9325 6.8326 6.8326 7.5919 7.5919 8.4844 8.4844 9.1153 9.1153 9.3621 9.3621 9.5019 9.5019 9.7055 9.7055 9.7681 9.7681 9.8696 9.8696 9.9293 9.9293 10.1908 10.1908 10.3171 10.3171 11.3891 11.3891 11.4382 11.4382 11.5223 11.5223 11.6846 11.6846 11.7806 11.7806 13.6209 13.6209 13.6435 13.6435 20.0268 20.0268 20.7700 20.7700 k = 0.3750 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.3642 5.3642 5.4963 5.4963 5.7861 5.7861 5.8252 5.8252 5.9462 5.9462 6.8806 6.8806 7.6506 7.6506 8.4260 8.4260 9.1058 9.1058 9.3590 9.3590 9.5043 9.5043 9.7057 9.7057 9.7880 9.7880 9.8681 9.8681 9.9285 9.9285 10.1910 10.1910 10.3145 10.3145 11.3733 11.3733 11.4404 11.4404 11.5181 11.5181 11.6656 11.6656 11.7732 11.7732 13.5264 13.5264 13.5697 13.5697 20.1314 20.1314 20.8883 20.8883 k = 0.3864 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.3611 5.3611 5.4988 5.4988 5.7902 5.7902 5.8270 5.8270 5.9590 5.9590 6.9316 6.9316 7.7074 7.7074 8.3661 8.3661 9.0950 9.0950 9.3560 9.3560 9.5064 9.5064 9.7056 9.7056 9.8092 9.8092 9.8662 9.8662 9.9294 9.9294 10.1913 10.1913 10.3105 10.3105 11.3553 11.3553 11.4434 11.4434 11.5141 11.5141 11.6477 11.6477 11.7653 11.7653 13.4397 13.4397 13.5034 13.5034 20.2386 20.2386 21.0088 21.0088 k = 0.3977 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.3583 5.3583 5.5011 5.5011 5.7935 5.7935 5.8287 5.8287 5.9707 5.9707 6.9851 6.9851 7.7619 7.7619 8.3049 8.3049 9.0834 9.0834 9.3531 9.3531 9.5083 9.5083 9.7054 9.7054 9.8307 9.8307 9.8645 9.8645 9.9320 9.9320 10.1914 10.1914 10.3052 10.3052 11.3360 11.3360 11.4465 11.4465 11.5103 11.5103 11.6309 11.6309 11.7572 11.7572 13.3617 13.3617 13.4440 13.4440 20.3485 20.3485 21.1312 21.1312 k = 0.4091 0.5000-0.0000 ( 1688 PWs) bands (ev): 5.3558 5.3558 5.5030 5.5030 5.7960 5.7960 5.8303 5.8303 5.9811 5.9811 7.0407 7.0407 7.8135 7.8135 8.2428 8.2428 9.0710 9.0710 9.3504 9.3504 9.5100 9.5100 9.7051 9.7051 9.8480 9.8480 9.8667 9.8667 9.9367 9.9367 10.1914 10.1914 10.2985 10.2985 11.3163 11.3163 11.4496 11.4496 11.5065 11.5065 11.6155 11.6155 11.7492 11.7492 13.2923 13.2923 13.3913 13.3913 20.4608 20.4608 21.2556 21.2556 k = 0.4205 0.5000-0.0000 ( 1688 PWs) bands (ev): 5.3535 5.3535 5.5047 5.5047 5.7981 5.7981 5.8317 5.8317 5.9902 5.9902 7.0978 7.0978 7.8615 7.8615 8.1803 8.1803 9.0584 9.0584 9.3480 9.3480 9.5115 9.5115 9.7048 9.7048 9.8521 9.8521 9.8805 9.8805 9.9445 9.9445 10.1908 10.1908 10.2905 10.2905 11.2965 11.2965 11.4527 11.4527 11.5028 11.5028 11.6016 11.6016 11.7413 11.7413 13.2318 13.2318 13.3451 13.3451 20.5757 20.5757 21.3816 21.3816 k = 0.4318 0.5000-0.0000 ( 1684 PWs) bands (ev): 5.3515 5.3515 5.5062 5.5062 5.7997 5.7997 5.8331 5.8331 5.9980 5.9980 7.1556 7.1556 7.9054 7.9054 8.1181 8.1181 9.0460 9.0460 9.3458 9.3458 9.5128 9.5128 9.7046 9.7046 9.8508 9.8508 9.8959 9.8959 9.9572 9.9572 10.1895 10.1895 10.2813 10.2813 11.2775 11.2775 11.4556 11.4556 11.4993 11.4993 11.5894 11.5894 11.7339 11.7339 13.1800 13.1800 13.3054 13.3054 20.6929 20.6929 21.5088 21.5088 k = 0.4432 0.5000-0.0000 ( 1690 PWs) bands (ev): 5.3497 5.3497 5.5074 5.5074 5.8010 5.8010 5.8342 5.8342 6.0045 6.0045 7.2132 7.2132 7.9443 7.9443 8.0569 8.0569 9.0340 9.0340 9.3439 9.3439 9.5138 9.5138 9.7042 9.7042 9.8487 9.8487 9.9068 9.9068 9.9754 9.9754 10.1868 10.1868 10.2715 10.2715 11.2597 11.2597 11.4583 11.4583 11.4958 11.4958 11.5788 11.5788 11.7271 11.7271 13.1367 13.1367 13.2719 13.2719 20.8123 20.8123 21.6368 21.6368 k = 0.4545 0.5000-0.0000 ( 1690 PWs) bands (ev): 5.3482 5.3482 5.5085 5.5085 5.8020 5.8020 5.8352 5.8352 6.0098 6.0098 7.2690 7.2690 7.9775 7.9775 7.9983 7.9983 9.0233 9.0233 9.3424 9.3424 9.5147 9.5147 9.7039 9.7039 9.8469 9.8469 9.9136 9.9136 9.9974 9.9974 10.1825 10.1825 10.2618 10.2618 11.2440 11.2440 11.4609 11.4609 11.4925 11.4925 11.5702 11.5702 11.7214 11.7214 13.1018 13.1018 13.2447 13.2447 20.9337 20.9337 21.7645 21.7645 k = 0.4659 0.5000-0.0000 ( 1692 PWs) bands (ev): 5.3471 5.3471 5.5092 5.5092 5.8027 5.8027 5.8359 5.8359 6.0138 6.0138 7.3207 7.3207 7.9444 7.9444 8.0044 8.0044 9.0141 9.0141 9.3411 9.3411 9.5153 9.5153 9.7036 9.7036 9.8453 9.8453 9.9178 9.9178 10.0206 10.0206 10.1758 10.1758 10.2531 10.2531 11.2310 11.2310 11.4632 11.4632 11.4896 11.4896 11.5634 11.5634 11.7167 11.7167 13.0749 13.0749 13.2236 13.2236 21.0564 21.0564 21.8832 21.8834 k = 0.4773 0.5000-0.0000 ( 1692 PWs) bands (ev): 5.3463 5.3463 5.5098 5.5098 5.8032 5.8032 5.8365 5.8365 6.0167 6.0167 7.3647 7.3647 7.8989 7.8989 8.0241 8.0241 9.0072 9.0072 9.3402 9.3402 9.5158 9.5158 9.7034 9.7034 9.8441 9.8441 9.9203 9.9203 10.0423 10.0423 10.1671 10.1671 10.2466 10.2466 11.2213 11.2213 11.4651 11.4651 11.4872 11.4872 11.5585 11.5585 11.7132 11.7132 13.0558 13.0558 13.2087 13.2087 21.1789 21.1789 21.7504 21.7504 k = 0.4886 0.5000-0.0000 ( 1692 PWs) bands (ev): 5.3458 5.3458 5.5101 5.5101 5.8035 5.8035 5.8368 5.8368 6.0183 6.0183 7.3954 7.3954 7.8673 7.8673 8.0362 8.0362 9.0029 9.0029 9.3397 9.3397 9.5161 9.5161 9.7033 9.7033 9.8434 9.8434 9.9217 9.9217 10.0590 10.0590 10.1584 10.1584 10.2427 10.2427 11.2152 11.2152 11.4665 11.4665 11.4855 11.4855 11.5555 11.5555 11.7111 11.7111 13.0445 13.0445 13.1997 13.1997 21.2947 21.2947 21.6276 21.6276 k = 0.5000 0.5000-0.0000 ( 1692 PWs) bands (ev): 5.3456 5.3456 5.5102 5.5102 5.8036 5.8036 5.8369 5.8369 6.0189 6.0189 7.4067 7.4067 7.8557 7.8557 8.0403 8.0403 9.0014 9.0014 9.3395 9.3395 9.5161 9.5161 9.7033 9.7033 9.8432 9.8432 9.9222 9.9222 10.0657 10.0657 10.1543 10.1543 10.2415 10.2415 11.2132 11.2132 11.4670 11.4670 11.4849 11.4849 11.5546 11.5546 11.7104 11.7104 13.0407 13.0407 13.1967 13.1967 21.3613 21.3613 21.5586 21.5586 k = 0.5000 0.5000-0.0000 ( 1692 PWs) bands (ev): 5.3456 5.3456 5.5102 5.5102 5.8036 5.8036 5.8369 5.8369 6.0189 6.0189 7.4067 7.4067 7.8557 7.8557 8.0403 8.0403 9.0014 9.0014 9.3395 9.3395 9.5161 9.5161 9.7033 9.7033 9.8432 9.8432 9.9222 9.9222 10.0657 10.0657 10.1543 10.1543 10.2415 10.2415 11.2132 11.2132 11.4670 11.4670 11.4849 11.4849 11.5546 11.5546 11.7104 11.7104 13.0407 13.0407 13.1967 13.1967 21.3613 21.3613 21.5586 21.5586 k = 0.4919 0.4919-0.0000 ( 1692 PWs) bands (ev): 5.3458 5.3458 5.5101 5.5101 5.8035 5.8035 5.8368 5.8368 6.0184 6.0184 7.3976 7.3976 7.8593 7.8593 8.0413 8.0413 9.0023 9.0023 9.3394 9.3394 9.5149 9.5149 9.7033 9.7033 9.8448 9.8448 9.9226 9.9226 10.0625 10.0625 10.1569 10.1569 10.2425 10.2425 11.2144 11.2144 11.4654 11.4654 11.4848 11.4848 11.5552 11.5552 11.7123 11.7123 13.0442 13.0442 13.2001 13.2001 21.3120 21.3120 21.5883 21.5883 k = 0.4839 0.4839-0.0000 ( 1692 PWs) bands (ev): 5.3462 5.3462 5.5098 5.5098 5.8033 5.8033 5.8364 5.8364 6.0171 6.0171 7.3713 7.3713 7.8695 7.8695 8.0444 8.0444 9.0050 9.0050 9.3391 9.3391 9.5114 9.5114 9.7034 9.7034 9.8492 9.8492 9.9241 9.9241 10.0539 10.0539 10.1635 10.1635 10.2458 10.2458 11.2180 11.2180 11.4608 11.4608 11.4847 11.4847 11.5571 11.5571 11.7180 11.7180 13.0541 13.0541 13.2110 13.2110 21.2046 21.2046 21.6395 21.6395 k = 0.4758 0.4758-0.0000 ( 1686 PWs) bands (ev): 5.3471 5.3471 5.5093 5.5093 5.8030 5.8030 5.8358 5.8358 6.0148 6.0148 7.3300 7.3300 7.8846 7.8846 8.0494 8.0494 9.0093 9.0093 9.3385 9.3385 9.5061 9.5061 9.7040 9.7040 9.8553 9.8553 9.9272 9.9272 10.0421 10.0421 10.1723 10.1723 10.2514 10.2514 11.2238 11.2238 11.4535 11.4535 11.4847 11.4847 11.5600 11.5600 11.7270 11.7270 13.0678 13.0678 13.2318 13.2318 21.0715 21.0715 21.6869 21.6869 k = 0.4677 0.4677-0.0000 ( 1690 PWs) bands (ev): 5.3480 5.3480 5.5086 5.5086 5.8025 5.8025 5.8349 5.8349 6.0116 6.0116 7.2761 7.2761 7.9030 7.9030 8.0560 8.0560 9.0146 9.0146 9.3374 9.3374 9.4993 9.4993 9.7050 9.7050 9.8615 9.8615 9.9324 9.9324 10.0287 10.0287 10.1817 10.1817 10.2592 10.2592 11.2314 11.2314 11.4441 11.4441 11.4850 11.4850 11.5636 11.5636 11.7388 11.7388 13.0821 13.0821 13.2655 13.2655 20.9237 20.9237 21.7279 21.7279 k = 0.4597 0.4597-0.0000 ( 1686 PWs) bands (ev): 5.3492 5.3492 5.5077 5.5077 5.8018 5.8018 5.8338 5.8338 6.0075 6.0075 7.2121 7.2121 7.9236 7.9236 8.0641 8.0641 9.0206 9.0206 9.3354 9.3354 9.4920 9.4920 9.7067 9.7067 9.8664 9.8664 9.9399 9.9399 10.0157 10.0157 10.1911 10.1911 10.2692 10.2692 11.2404 11.2404 11.4334 11.4334 11.4856 11.4856 11.5682 11.5682 11.7529 11.7529 13.0948 13.0948 13.3144 13.3144 20.7665 20.7665 21.7638 21.7638 k = 0.4516 0.4516-0.0000 ( 1690 PWs) bands (ev): 5.3505 5.3505 5.5064 5.5064 5.8009 5.8009 5.8324 5.8324 6.0026 6.0026 7.1398 7.1398 7.9457 7.9457 8.0736 8.0736 9.0267 9.0267 9.3322 9.3322 9.4847 9.4847 9.7092 9.7092 9.8689 9.8689 9.9480 9.9480 10.0056 10.0056 10.2003 10.2003 10.2812 10.2812 11.2503 11.2503 11.4219 11.4219 11.4862 11.4862 11.5732 11.5732 11.7690 11.7690 13.1049 13.1049 13.3792 13.3792 20.6034 20.6034 21.7922 21.7922 k = 0.4435 0.4435-0.0000 ( 1694 PWs) bands (ev): 5.3520 5.3520 5.5050 5.5050 5.7998 5.7998 5.8307 5.8307 5.9970 5.9970 7.0608 7.0608 7.9690 7.9690 8.0843 8.0843 9.0325 9.0325 9.3276 9.3276 9.4781 9.4781 9.7123 9.7123 9.8692 9.8692 9.9512 9.9512 10.0038 10.0038 10.2092 10.2092 10.2947 10.2947 11.2606 11.2606 11.4100 11.4100 11.4869 11.4869 11.5790 11.5790 11.7866 11.7866 13.1129 13.1129 13.4589 13.4589 20.4365 20.4365 21.7354 21.7354 k = 0.4355 0.4355-0.0000 ( 1694 PWs) bands (ev): 5.3534 5.3534 5.5033 5.5033 5.7984 5.7984 5.8287 5.8287 5.9906 5.9906 6.9766 6.9766 7.9931 7.9931 8.0962 8.0962 9.0377 9.0377 9.3212 9.3212 9.4730 9.4730 9.7161 9.7161 9.8677 9.8677 9.9456 9.9456 10.0139 10.0139 10.2183 10.2183 10.3097 10.3097 11.2710 11.2710 11.3984 11.3984 11.4878 11.4878 11.5855 11.5855 11.8057 11.8057 13.1196 13.1196 13.5525 13.5525 20.2673 20.2673 21.6475 21.6475 k = 0.4274 0.4274-0.0000 ( 1694 PWs) bands (ev): 5.3547 5.3547 5.5013 5.5013 5.7966 5.7966 5.8264 5.8264 5.9836 5.9836 6.8883 6.8883 8.0177 8.0177 8.1097 8.1097 9.0419 9.0419 9.3130 9.3130 9.4695 9.4695 9.7204 9.7204 9.8647 9.8647 9.9353 9.9353 10.0316 10.0316 10.2275 10.2275 10.3257 10.3257 11.2810 11.2810 11.3871 11.3871 11.4888 11.4888 11.5927 11.5927 11.8260 11.8260 13.1255 13.1255 13.6590 13.6590 20.0970 20.0970 21.5558 21.5558 k = 0.4194 0.4194-0.0000 ( 1692 PWs) bands (ev): 5.3558 5.3558 5.4991 5.4991 5.7944 5.7944 5.8238 5.8238 5.9759 5.9759 6.7970 6.7970 8.0425 8.0425 8.1250 8.1250 9.0450 9.0450 9.3031 9.3031 9.4677 9.4677 9.7250 9.7250 9.8605 9.8605 9.9239 9.9239 10.0530 10.0530 10.2371 10.2371 10.3425 10.3425 11.2901 11.2901 11.3768 11.3768 11.4898 11.4898 11.6006 11.6006 11.8474 11.8474 13.1310 13.1310 13.7774 13.7774 19.9263 19.9263 21.4624 21.4624 k = 0.4113 0.4113-0.0000 ( 1694 PWs) bands (ev): 5.3563 5.3563 5.4964 5.4964 5.7915 5.7915 5.8208 5.8208 5.9677 5.9677 6.7040 6.7040 8.0668 8.0668 8.1427 8.1427 9.0469 9.0469 9.2917 9.2917 9.4674 9.4674 9.7299 9.7299 9.8551 9.8551 9.9131 9.9131 10.0762 10.0762 10.2471 10.2471 10.3600 10.3600 11.2978 11.2978 11.3678 11.3678 11.4909 11.4909 11.6091 11.6091 11.8700 11.8700 13.1364 13.1364 13.9071 13.9071 19.7555 19.7555 21.3686 21.3686 k = 0.4032 0.4032-0.0000 ( 1700 PWs) bands (ev): 5.3561 5.3561 5.4934 5.4934 5.7877 5.7877 5.8176 5.8176 5.9591 5.9591 6.6102 6.6102 8.0897 8.0897 8.1635 8.1635 9.0474 9.0474 9.2792 9.2792 9.4684 9.4684 9.7346 9.7346 9.8486 9.8486 9.9036 9.9036 10.1007 10.1007 10.2577 10.2577 10.3779 10.3779 11.3034 11.3034 11.3610 11.3610 11.4921 11.4921 11.6182 11.6182 11.8935 11.8935 13.1416 13.1416 14.0472 14.0472 19.5853 19.5853 21.2751 21.2751 k = 0.3952 0.3952-0.0000 ( 1700 PWs) bands (ev): 5.3550 5.3550 5.4900 5.4900 5.7826 5.7826 5.8141 5.8141 5.9500 5.9500 6.5169 6.5169 8.1109 8.1109 8.1880 8.1880 9.0470 9.0470 9.2659 9.2659 9.4704 9.4704 9.7395 9.7395 9.8413 9.8413 9.8962 9.8962 10.1258 10.1258 10.2687 10.2687 10.3962 10.3962 11.3060 11.3060 11.3574 11.3574 11.4934 11.4934 11.6279 11.6279 11.9181 11.9181 13.1471 13.1471 14.1970 14.1970 19.4157 19.4157 21.1828 21.1828 k = 0.3871 0.3871-0.0000 ( 1702 PWs) bands (ev): 5.3523 5.3523 5.4862 5.4862 5.7758 5.7758 5.8104 5.8104 5.9407 5.9407 6.4254 6.4254 8.1301 8.1301 8.2161 8.2161 9.0456 9.0456 9.2521 9.2521 9.4731 9.4731 9.7443 9.7443 9.8333 9.8333 9.8909 9.8909 10.1515 10.1515 10.2804 10.2804 10.4146 10.4146 11.3053 11.3053 11.3572 11.3572 11.4947 11.4947 11.6382 11.6382 11.9436 11.9436 13.1526 13.1526 14.3560 14.3560 19.2470 19.2470 21.0920 21.0920 k = 0.3790 0.3790-0.0000 ( 1702 PWs) bands (ev): 5.3475 5.3475 5.4821 5.4821 5.7665 5.7665 5.8066 5.8066 5.9312 5.9312 6.3372 6.3372 8.1478 8.1478 8.2472 8.2472 9.0432 9.0432 9.2381 9.2381 9.4760 9.4760 9.7488 9.7488 9.8253 9.8253 9.8877 9.8877 10.1774 10.1774 10.2926 10.2926 10.4332 10.4332 11.3022 11.3022 11.3600 11.3600 11.4962 11.4962 11.6490 11.6490 11.9701 11.9701 13.1585 13.1585 14.5234 14.5234 19.0794 19.0794 21.0032 21.0032 k = 0.3710 0.3710-0.0000 ( 1702 PWs) bands (ev): 5.3397 5.3397 5.4776 5.4776 5.7540 5.7540 5.8029 5.8029 5.9217 5.9217 6.2544 6.2544 8.1645 8.1645 8.2807 8.2807 9.0401 9.0401 9.2240 9.2240 9.4790 9.4790 9.7528 9.7528 9.8178 9.8178 9.8866 9.8866 10.2035 10.2035 10.3053 10.3053 10.4517 10.4517 11.2980 11.2980 11.3645 11.3645 11.4978 11.4978 11.6603 11.6603 11.9975 11.9975 13.1646 13.1646 14.6987 14.6987 18.9131 18.9131 20.9166 20.9166 k = 0.3629 0.3629-0.0000 ( 1698 PWs) bands (ev): 5.3275 5.3275 5.4728 5.4728 5.7375 5.7375 5.7993 5.7993 5.9123 5.9123 6.1789 6.1789 8.1806 8.1806 8.3159 8.3159 9.0366 9.0366 9.2101 9.2101 9.4818 9.4818 9.7558 9.7558 9.8115 9.8115 9.8875 9.8875 10.2296 10.2296 10.3186 10.3186 10.4701 10.4701 11.2937 11.2937 11.3700 11.3700 11.4996 11.4996 11.6720 11.6720 12.0259 12.0259 13.1709 13.1709 14.8815 14.8815 18.7480 18.7480 20.8324 20.8324 k = 0.3548 0.3548-0.0000 ( 1702 PWs) bands (ev): 5.3093 5.3093 5.4679 5.4679 5.7167 5.7167 5.7957 5.7957 5.9031 5.9031 6.1127 6.1127 8.1960 8.1960 8.3524 8.3524 9.0326 9.0326 9.1965 9.1965 9.4840 9.4840 9.7572 9.7572 9.8073 9.8073 9.8904 9.8904 10.2556 10.2556 10.3324 10.3324 10.4882 10.4882 11.2898 11.2898 11.3760 11.3760 11.5016 11.5016 11.6841 11.6841 12.0550 12.0550 13.1776 13.1776 15.0711 15.0711 18.5844 18.5844 20.7507 20.7507 k = 0.3468 0.3468-0.0000 ( 1698 PWs) bands (ev): 5.2832 5.2832 5.4632 5.4632 5.6920 5.6920 5.7921 5.7921 5.8944 5.8944 6.0575 6.0575 8.2112 8.2112 8.3897 8.3897 9.0286 9.0286 9.1834 9.1834 9.4857 9.4857 9.7563 9.7563 9.8063 9.8063 9.8954 9.8954 10.2815 10.2815 10.3468 10.3468 10.5060 10.5060 11.2868 11.2868 11.3824 11.3824 11.5040 11.5040 11.6967 11.6967 12.0850 12.0850 13.1846 13.1846 15.2672 15.2672 18.4223 18.4223 20.6716 20.6716 k = 0.3387 0.3387-0.0000 ( 1710 PWs) bands (ev): 5.2472 5.2472 5.4587 5.4587 5.6651 5.6651 5.7884 5.7884 5.8861 5.8861 6.0132 6.0132 8.2257 8.2257 8.4276 8.4276 9.0249 9.0249 9.1706 9.1706 9.4864 9.4864 9.7529 9.7529 9.8087 9.8087 9.9023 9.9023 10.3071 10.3071 10.3616 10.3616 10.5233 10.5233 11.2849 11.2849 11.3889 11.3889 11.5063 11.5063 11.7095 11.7095 12.1156 12.1156 13.1919 13.1919 15.4693 15.4693 18.2617 18.2617 20.5953 20.5953 k = 0.3306 0.3306-0.0000 ( 1710 PWs) bands (ev): 5.2003 5.2003 5.4547 5.4547 5.6387 5.6387 5.7847 5.7847 5.8784 5.8784 5.9787 5.9787 8.2397 8.2397 8.4657 8.4657 9.0216 9.0216 9.1584 9.1584 9.4863 9.4863 9.7477 9.7477 9.8142 9.8142 9.9113 9.9113 10.3324 10.3324 10.3772 10.3772 10.5403 10.5403 11.2844 11.2844 11.3958 11.3958 11.5092 11.5092 11.7227 11.7227 12.1471 12.1471 13.1996 13.1996 15.6771 15.6771 18.1026 18.1026 20.5217 20.5217 k = 0.3226 0.3226-0.0000 ( 1706 PWs) bands (ev): 5.1427 5.1427 5.4510 5.4510 5.6146 5.6146 5.7810 5.7810 5.8711 5.8711 5.9523 5.9523 8.2530 8.2530 8.5038 8.5038 9.0191 9.0191 9.1469 9.1469 9.4852 9.4852 9.7414 9.7414 9.8223 9.8223 9.9223 9.9223 10.3573 10.3573 10.3937 10.3937 10.5569 10.5569 11.2854 11.2854 11.4030 11.4030 11.5126 11.5126 11.7362 11.7362 12.1793 12.1793 13.2078 13.2078 15.8901 15.8901 17.9453 17.9453 20.4509 20.4509 k = 0.3145 0.3145-0.0000 ( 1718 PWs) bands (ev): 5.0758 5.0758 5.4476 5.4476 5.5936 5.5936 5.7772 5.7772 5.8639 5.8639 5.9316 5.9316 8.2653 8.2653 8.5416 8.5416 9.0176 9.0176 9.1359 9.1359 9.4829 9.4829 9.7344 9.7344 9.8322 9.8322 9.9349 9.9349 10.3814 10.3814 10.4111 10.4111 10.5730 10.5730 11.2877 11.2877 11.4103 11.4103 11.5162 11.5162 11.7500 11.7500 12.2122 12.2122 13.2162 13.2162 16.1081 16.1081 17.7896 17.7896 20.3829 20.3829 k = 0.3065 0.3065-0.0000 ( 1714 PWs) bands (ev): 5.0017 5.0017 5.4444 5.4444 5.5761 5.5761 5.7733 5.7733 5.8570 5.8570 5.9155 5.9155 8.2764 8.2764 8.5789 8.5789 9.0174 9.0174 9.1257 9.1257 9.4798 9.4798 9.7273 9.7273 9.8441 9.8441 9.9493 9.9493 10.4046 10.4046 10.4301 10.4301 10.5890 10.5890 11.2918 11.2918 11.4181 11.4181 11.5205 11.5205 11.7640 11.7640 12.2459 12.2459 13.2250 13.2250 16.3308 16.3308 17.6357 17.6357 20.3176 20.3176 k = 0.2984 0.2984-0.0000 ( 1716 PWs) bands (ev): 4.9224 4.9224 5.4413 5.4413 5.5612 5.5612 5.7694 5.7694 5.8499 5.8499 5.9027 5.9027 8.2861 8.2861 8.6154 8.6154 9.0183 9.0183 9.1162 9.1162 9.4755 9.4755 9.7202 9.7202 9.8575 9.8575 9.9652 9.9652 10.4267 10.4267 10.4506 10.4506 10.6050 10.6050 11.2974 11.2974 11.4261 11.4261 11.5254 11.5254 11.7783 11.7783 12.2803 12.2803 13.2342 13.2342 16.5578 16.5578 17.4836 17.4836 20.2551 20.2551 k = 0.2903 0.2903-0.0000 ( 1716 PWs) bands (ev): 4.8397 4.8397 5.4383 5.4383 5.5485 5.5485 5.7654 5.7654 5.8427 5.8427 5.8925 5.8925 8.2943 8.2943 8.6509 8.6509 9.0210 9.0210 9.1078 9.1078 9.4705 9.4705 9.7131 9.7131 9.8722 9.8722 9.9824 9.9824 10.4480 10.4480 10.4726 10.4726 10.6211 10.6211 11.3046 11.3046 11.4344 11.4344 11.5309 11.5309 11.7928 11.7928 12.3154 12.3154 13.2439 13.2439 16.7887 16.7887 17.3335 17.3335 20.1954 20.1954 k = 0.2823 0.2823-0.0000 ( 1716 PWs) bands (ev): 4.7550 4.7550 5.4351 5.4351 5.5372 5.5372 5.7614 5.7614 5.8353 5.8353 5.8842 5.8842 8.3007 8.3007 8.6854 8.6854 9.0251 9.0251 9.1006 9.1006 9.4647 9.4647 9.7061 9.7061 9.8880 9.8880 10.0005 10.0005 10.4689 10.4689 10.4955 10.4955 10.6378 10.6378 11.3134 11.3134 11.4429 11.4429 11.5371 11.5371 11.8075 11.8075 12.3513 12.3513 13.2539 13.2539 17.0214 17.0214 17.1873 17.1873 20.1383 20.1383 k = 0.2742 0.2742-0.0000 ( 1714 PWs) bands (ev): 4.6693 4.6693 5.4318 5.4318 5.5270 5.5270 5.7573 5.7573 5.8278 5.8278 5.8775 5.8775 8.3051 8.3051 8.7186 8.7186 9.0303 9.0303 9.0948 9.0948 9.4583 9.4583 9.6993 9.6993 9.9049 9.9049 10.0194 10.0194 10.4898 10.4898 10.5192 10.5192 10.6556 10.6556 11.3236 11.3236 11.4516 11.4516 11.5440 11.5440 11.8223 11.8223 12.3879 12.3879 13.2643 13.2643 17.0346 17.0346 17.2661 17.2661 20.0840 20.0840 k = 0.2661 0.2661-0.0000 ( 1716 PWs) bands (ev): 4.5834 4.5834 5.4283 5.4283 5.5174 5.5174 5.7533 5.7533 5.8203 5.8203 5.8718 5.8718 8.3077 8.3077 8.7504 8.7504 9.0358 9.0358 9.0914 9.0914 9.4513 9.4513 9.6928 9.6928 9.9224 9.9224 10.0386 10.0386 10.5106 10.5106 10.5432 10.5432 10.6752 10.6752 11.3351 11.3351 11.4605 11.4605 11.5517 11.5517 11.8372 11.8372 12.4252 12.4252 13.2751 13.2751 16.8912 16.8912 17.5067 17.5067 20.0323 20.0323 k = 0.2581 0.2581-0.0000 ( 1708 PWs) bands (ev): 4.4980 4.4980 5.4247 5.4247 5.5085 5.5085 5.7493 5.7493 5.8129 5.8129 5.8670 5.8670 8.3081 8.3081 8.7809 8.7809 9.0403 9.0403 9.0916 9.0916 9.4440 9.4440 9.6866 9.6866 9.9406 9.9406 10.0580 10.0580 10.5314 10.5314 10.5676 10.5676 10.6974 10.6974 11.3478 11.3478 11.4698 11.4698 11.5604 11.5604 11.8522 11.8522 12.4634 12.4634 13.2863 13.2863 16.7486 16.7486 17.7515 17.7515 19.9834 19.9834 k = 0.2500 0.2500-0.0000 ( 1708 PWs) bands (ev): 4.4135 4.4135 5.4208 5.4208 5.4997 5.4997 5.7452 5.7452 5.8056 5.8056 5.8626 5.8626 8.3066 8.3066 8.8099 8.8099 9.0423 9.0423 9.0964 9.0964 9.4364 9.4364 9.6807 9.6807 9.9589 9.9589 10.0771 10.0771 10.5515 10.5515 10.5922 10.5922 10.7231 10.7231 11.3616 11.3616 11.4791 11.4791 11.5698 11.5698 11.8674 11.8674 12.5023 12.5023 13.2980 13.2980 16.6077 16.6077 17.9994 17.9994 19.9373 19.9373 k = 0.2419 0.2419-0.0000 ( 1709 PWs) bands (ev): 4.3302 4.3302 5.4167 5.4167 5.4912 5.4912 5.7412 5.7412 5.7985 5.7985 5.8587 5.8587 8.3032 8.3032 8.8374 8.8374 9.0417 9.0417 9.1057 9.1057 9.4287 9.4287 9.6752 9.6752 9.9773 9.9773 10.0957 10.0957 10.5706 10.5706 10.6171 10.6171 10.7533 10.7533 11.3762 11.3762 11.4887 11.4887 11.5800 11.5800 11.8825 11.8825 12.5421 12.5421 13.3100 13.3100 16.4687 16.4687 18.2495 18.2495 19.8942 19.8942 k = 0.2339 0.2339-0.0000 ( 1717 PWs) bands (ev): 4.2485 4.2485 5.4124 5.4124 5.4828 5.4828 5.7371 5.7371 5.7916 5.7916 5.8550 5.8550 8.2981 8.2981 8.8633 8.8633 9.0393 9.0393 9.1184 9.1184 9.4208 9.4208 9.6701 9.6701 9.9955 9.9955 10.1137 10.1137 10.5881 10.5881 10.6419 10.6419 10.7885 10.7885 11.3913 11.3913 11.4984 11.4984 11.5910 11.5910 11.8978 11.8978 12.5826 12.5826 13.3225 13.3225 16.3318 16.3318 18.5014 18.5014 19.8545 19.8545 k = 0.2258 0.2258-0.0000 ( 1717 PWs) bands (ev): 4.1685 4.1685 5.4079 5.4079 5.4745 5.4745 5.7331 5.7331 5.7850 5.7850 5.8516 5.8516 8.2915 8.2915 8.8879 8.8879 9.0361 9.0361 9.1332 9.1332 9.4132 9.4132 9.6655 9.6655 10.0135 10.0135 10.1312 10.1312 10.6042 10.6042 10.6668 10.6668 10.8293 10.8293 11.4070 11.4070 11.5087 11.5087 11.6029 11.6029 11.9131 11.9131 12.6241 12.6241 13.3355 13.3355 16.1969 16.1969 18.7537 18.7537 19.8192 19.8192 k = 0.2177 0.2177-0.0000 ( 1713 PWs) bands (ev): 4.0905 4.0905 5.4032 5.4032 5.4664 5.4664 5.7291 5.7291 5.7787 5.7787 5.8484 5.8484 8.2835 8.2835 8.9110 8.9110 9.0327 9.0327 9.1492 9.1492 9.4057 9.4057 9.6615 9.6615 10.0311 10.0311 10.1482 10.1482 10.6189 10.6189 10.6916 10.6916 10.8754 10.8754 11.4230 11.4230 11.5195 11.5195 11.6155 11.6155 11.9284 11.9284 12.6665 12.6665 13.3488 13.3488 16.0641 16.0641 19.0039 19.0039 19.7904 19.7904 k = 0.2097 0.2097-0.0000 ( 1709 PWs) bands (ev): 4.0146 4.0146 5.3984 5.3984 5.4584 5.4584 5.7252 5.7252 5.7725 5.7725 5.8452 5.8452 8.2744 8.2744 8.9329 8.9329 9.0290 9.0290 9.1656 9.1656 9.3985 9.3985 9.6580 9.6580 10.0482 10.0482 10.1647 10.1647 10.6323 10.6323 10.7165 10.7165 10.9265 10.9265 11.4391 11.4391 11.5308 11.5308 11.6287 11.6287 11.9437 11.9437 12.7098 12.7098 13.3627 13.3627 15.9335 15.9335 19.2445 19.2445 19.7755 19.7755 k = 0.2016 0.2016-0.0000 ( 1703 PWs) bands (ev): 3.9409 3.9409 5.3933 5.3933 5.4505 5.4505 5.7213 5.7213 5.7667 5.7667 5.8422 5.8422 8.2643 8.2643 8.9533 8.9533 9.0256 9.0256 9.1820 9.1820 9.3915 9.3915 9.6551 9.6551 10.0650 10.0650 10.1811 10.1811 10.6446 10.6446 10.7414 10.7414 10.9821 10.9821 11.4550 11.4550 11.5430 11.5430 11.6425 11.6425 11.9591 11.9591 12.7540 12.7540 13.3770 13.3770 15.8051 15.8051 19.4473 19.4473 19.8023 19.8023 k = 0.1935 0.1935-0.0000 ( 1705 PWs) bands (ev): 3.8696 3.8696 5.3881 5.3881 5.4427 5.4427 5.7174 5.7174 5.7610 5.7610 5.8392 5.8392 8.2533 8.2533 8.9722 8.9722 9.0222 9.0222 9.1979 9.1979 9.3850 9.3850 9.6527 9.6527 10.0810 10.0810 10.1969 10.1969 10.6559 10.6559 10.7664 10.7664 11.0413 11.0413 11.4705 11.4705 11.5559 11.5559 11.6568 11.6568 11.9744 11.9744 12.7992 12.7992 13.3917 13.3917 15.6790 15.6790 19.5472 19.5472 19.9356 19.9356 k = 0.1855 0.1855-0.0000 ( 1715 PWs) bands (ev): 3.8006 3.8006 5.3827 5.3827 5.4349 5.4349 5.7134 5.7134 5.7554 5.7554 5.8362 5.8362 8.2416 8.2416 8.9894 8.9894 9.0190 9.0190 9.2130 9.2130 9.3788 9.3788 9.6508 9.6508 10.0966 10.0966 10.2127 10.2127 10.6664 10.6664 10.7916 10.7916 11.1037 11.1037 11.4855 11.4855 11.5696 11.5696 11.6715 11.6715 11.9897 11.9897 12.8452 12.8452 13.4068 13.4068 15.5552 15.5552 19.5611 19.5611 20.1579 20.1579 k = 0.1774 0.1774-0.0000 ( 1715 PWs) bands (ev): 3.7342 3.7342 5.3772 5.3772 5.4274 5.4274 5.7095 5.7095 5.7502 5.7502 5.8333 5.8333 8.2297 8.2297 9.0038 9.0038 9.0178 9.0178 9.2269 9.2269 9.3732 9.3732 9.6495 9.6495 10.1120 10.1120 10.2282 10.2282 10.6762 10.6762 10.8170 10.8170 11.1686 11.1686 11.5000 11.5000 11.5843 11.5843 11.6866 11.6866 12.0051 12.0051 12.8922 12.8922 13.4225 13.4225 15.4338 15.4338 19.5486 19.5486 20.4090 20.4090 k = 0.1694 0.1694-0.0000 ( 1715 PWs) bands (ev): 3.6704 3.6704 5.3716 5.3716 5.4202 5.4202 5.7057 5.7057 5.7452 5.7452 5.8306 5.8306 8.2175 8.2175 9.0083 9.0083 9.0254 9.0254 9.2395 9.2395 9.3683 9.3683 9.6487 9.6487 10.1273 10.1273 10.2436 10.2436 10.6855 10.6855 10.8424 10.8424 11.2351 11.2351 11.5141 11.5141 11.5998 11.5998 11.7021 11.7021 12.0204 12.0204 12.9401 12.9401 13.4386 13.4386 15.3150 15.3150 19.5287 19.5287 20.6689 20.6689 k = 0.1613 0.1613-0.0000 ( 1715 PWs) bands (ev): 3.6093 3.6093 5.3660 5.3660 5.4132 5.4132 5.7020 5.7020 5.7404 5.7404 5.8278 5.8278 8.2051 8.2051 9.0064 9.0064 9.0383 9.0383 9.2507 9.2507 9.3640 9.3640 9.6482 9.6482 10.1425 10.1425 10.2586 10.2586 10.6942 10.6942 10.8680 10.8680 11.3027 11.3027 11.5278 11.5278 11.6160 11.6160 11.7182 11.7182 12.0358 12.0358 12.9889 12.9889 13.4552 13.4552 15.1988 15.1988 19.5066 19.5066 20.9288 20.9288 k = 0.1532 0.1532-0.0000 ( 1725 PWs) bands (ev): 3.5508 3.5508 5.3603 5.3603 5.4063 5.4063 5.6982 5.6982 5.7358 5.7358 5.8251 5.8251 8.1926 8.1926 9.0035 9.0035 9.0510 9.0510 9.2603 9.2603 9.3601 9.3601 9.6481 9.6481 10.1578 10.1578 10.2733 10.2733 10.7024 10.7024 10.8935 10.8935 11.3702 11.3702 11.5413 11.5413 11.6326 11.6326 11.7347 11.7347 12.0511 12.0511 13.0384 13.0384 13.4722 13.4722 15.0852 15.0852 19.4839 19.4839 21.1526 21.1526 k = 0.1452 0.1452-0.0000 ( 1727 PWs) bands (ev): 3.4951 3.4951 5.3546 5.3546 5.3998 5.3998 5.6946 5.6946 5.7315 5.7315 5.8225 5.8225 8.1804 8.1804 9.0005 9.0005 9.0629 9.0629 9.2683 9.2683 9.3570 9.3570 9.6482 9.6482 10.1731 10.1731 10.2875 10.2875 10.7102 10.7102 10.9191 10.9191 11.4364 11.4364 11.5554 11.5554 11.6496 11.6496 11.7522 11.7522 12.0666 12.0666 13.0887 13.0887 13.4897 13.4897 14.9745 14.9745 19.4613 19.4613 21.0737 21.0737 k = 0.1371 0.1371-0.0000 ( 1735 PWs) bands (ev): 3.4422 3.4422 5.3489 5.3489 5.3935 5.3935 5.6910 5.6910 5.7273 5.7273 5.8199 5.8199 8.1681 8.1681 8.9974 8.9974 9.0738 9.0738 9.2749 9.2749 9.3543 9.3543 9.6484 9.6484 10.1887 10.1887 10.3013 10.3013 10.7175 10.7175 10.9444 10.9444 11.4988 11.4988 11.5713 11.5713 11.6667 11.6667 11.7711 11.7711 12.0822 12.0822 13.1394 13.1394 13.5077 13.5077 14.8668 14.8668 19.4391 19.4391 20.9005 20.9005 k = 0.1290 0.1290-0.0000 ( 1731 PWs) bands (ev): 3.3921 3.3921 5.3434 5.3434 5.3877 5.3877 5.6876 5.6876 5.7235 5.7235 5.8176 5.8176 8.1564 8.1564 8.9945 8.9945 9.0840 9.0840 9.2801 9.2801 9.3523 9.3523 9.6487 9.6487 10.2043 10.2043 10.3146 10.3146 10.7245 10.7245 10.9694 10.9694 11.5495 11.5495 11.5955 11.5955 11.6838 11.6838 11.7924 11.7924 12.0979 12.0979 13.1905 13.1905 13.5262 13.5262 14.7622 14.7622 19.4173 19.4173 20.7283 20.7283 k = 0.1210 0.1210-0.0000 ( 1729 PWs) bands (ev): 3.3450 3.3450 5.3380 5.3380 5.3821 5.3821 5.6843 5.6843 5.7198 5.7198 5.8153 5.8153 8.1450 8.1450 8.9916 8.9916 9.0933 9.0933 9.2843 9.2843 9.3507 9.3507 9.6490 9.6490 10.2199 10.2199 10.3272 10.3272 10.7311 10.7311 10.9940 10.9940 11.5774 11.5774 11.6369 11.6369 11.7006 11.7006 11.8176 11.8176 12.1138 12.1138 13.2418 13.2418 13.5450 13.5450 14.6608 14.6608 19.3958 19.3958 20.5622 20.5622 k = 0.1129 0.1129-0.0000 ( 1721 PWs) bands (ev): 3.3007 3.3007 5.3327 5.3327 5.3769 5.3769 5.6811 5.6811 5.7164 5.7164 5.8131 5.8131 8.1342 8.1342 8.9888 8.9888 9.1018 9.1018 9.2874 9.2874 9.3495 9.3495 9.6493 9.6493 10.2354 10.2354 10.3393 10.3393 10.7373 10.7373 11.0179 11.0179 11.5941 11.5941 11.6815 11.6815 11.7172 11.7172 11.8490 11.8490 12.1299 12.1299 13.2930 13.2930 13.5642 13.5642 14.5630 14.5630 19.3743 19.3743 20.4037 20.4037 k = 0.1048 0.1048-0.0000 ( 1723 PWs) bands (ev): 3.2594 3.2594 5.3276 5.3276 5.3720 5.3720 5.6781 5.6781 5.7132 5.7132 5.8111 5.8111 8.1237 8.1237 8.9859 8.9859 9.1094 9.1094 9.2897 9.2897 9.3484 9.3484 9.6495 9.6495 10.2504 10.2504 10.3507 10.3507 10.7430 10.7430 11.0408 11.0408 11.6079 11.6079 11.7183 11.7183 11.7337 11.7337 11.8873 11.8873 12.1462 12.1462 13.3438 13.3438 13.5837 13.5837 14.4689 14.4689 19.3524 19.3524 20.2541 20.2541 k = 0.0968 0.0968-0.0000 ( 1727 PWs) bands (ev): 3.2210 3.2210 5.3227 5.3227 5.3673 5.3673 5.6751 5.6751 5.7102 5.7102 5.8090 5.8090 8.1138 8.1138 8.9832 8.9832 9.1162 9.1162 9.2913 9.2913 9.3474 9.3474 9.6495 9.6495 10.2649 10.2649 10.3614 10.3614 10.7484 10.7484 11.0628 11.0628 11.6208 11.6208 11.7442 11.7442 11.7517 11.7517 11.9317 11.9317 12.1627 12.1627 13.3938 13.3938 13.6034 13.6034 14.3788 14.3788 19.3297 19.3297 20.1144 20.1144 k = 0.0887 0.0887-0.0000 ( 1731 PWs) bands (ev): 3.1856 3.1856 5.3181 5.3181 5.3630 5.3630 5.6724 5.6724 5.7074 5.7074 5.8072 5.8072 8.1045 8.1045 8.9806 8.9806 9.1224 9.1224 9.2926 9.2926 9.3467 9.3467 9.6495 9.6495 10.2786 10.2786 10.3715 10.3715 10.7533 10.7533 11.0835 11.0835 11.6331 11.6331 11.7608 11.7608 11.7714 11.7714 11.9793 11.9793 12.1796 12.1796 13.4426 13.4426 13.6230 13.6230 14.2930 14.2930 19.3054 19.3054 19.9859 19.9859 k = 0.0806 0.0806-0.0000 ( 1727 PWs) bands (ev): 3.1533 3.1533 5.3138 5.3138 5.3591 5.3591 5.6699 5.6699 5.7049 5.7049 5.8055 5.8055 8.0959 8.0959 8.9782 8.9782 9.1279 9.1279 9.2936 9.2936 9.3460 9.3460 9.6494 9.6494 10.2916 10.2916 10.3811 10.3811 10.7579 10.7579 11.1028 11.1028 11.6451 11.6451 11.7749 11.7749 11.7884 11.7884 12.0272 12.0272 12.1967 12.1967 13.4897 13.4897 13.6426 13.6426 14.2119 14.2119 19.2787 19.2787 19.8701 19.8701 k = 0.0726 0.0726-0.0000 ( 1733 PWs) bands (ev): 3.1239 3.1239 5.3098 5.3098 5.3555 5.3555 5.6675 5.6675 5.7025 5.7025 5.8040 5.8040 8.0880 8.0880 8.9759 8.9759 9.1326 9.1326 9.2942 9.2942 9.3454 9.3454 9.6492 9.6492 10.3035 10.3035 10.3898 10.3898 10.7621 10.7621 11.1205 11.1205 11.6563 11.6563 11.7876 11.7876 11.8024 11.8024 12.0732 12.0732 12.2140 12.2140 13.5346 13.5346 13.6619 13.6619 14.1359 14.1359 19.2485 19.2485 19.7687 19.7687 k = 0.0645 0.0645-0.0000 ( 1737 PWs) bands (ev): 3.0977 3.0977 5.3062 5.3062 5.3523 5.3523 5.6654 5.6654 5.7004 5.7004 5.8025 5.8025 8.0808 8.0808 8.9736 8.9736 9.1368 9.1368 9.2947 9.2947 9.3447 9.3447 9.6490 9.6490 10.3142 10.3142 10.3979 10.3979 10.7658 10.7658 11.1366 11.1366 11.6669 11.6669 11.7992 11.7992 11.8143 11.8143 12.1158 12.1158 12.2316 12.2316 13.5768 13.5768 13.6806 13.6806 14.0655 14.0655 19.2141 19.2141 19.6829 19.6829 k = 0.0565 0.0565-0.0000 ( 1737 PWs) bands (ev): 3.0744 3.0744 5.3029 5.3029 5.3494 5.3494 5.6635 5.6635 5.6986 5.6986 5.8012 5.8012 8.0745 8.0745 8.9718 8.9718 9.1404 9.1404 9.2951 9.2951 9.3443 9.3443 9.6488 9.6488 10.3238 10.3238 10.4054 10.4054 10.7692 10.7692 11.1509 11.1509 11.6768 11.6768 11.8096 11.8096 11.8244 11.8244 12.1540 12.1540 12.2494 12.2494 13.6156 13.6156 13.6985 13.6985 14.0013 14.0013 19.1754 19.1754 19.6133 19.6133 k = 0.0484 0.0484-0.0000 ( 1743 PWs) bands (ev): 3.0543 3.0543 5.3000 5.3000 5.3469 5.3469 5.6618 5.6618 5.6969 5.6969 5.8001 5.8001 8.0688 8.0688 8.9700 8.9700 9.1435 9.1435 9.2953 9.2953 9.3437 9.3437 9.6485 9.6485 10.3321 10.3321 10.4120 10.4120 10.7720 10.7720 11.1634 11.1634 11.6856 11.6856 11.8188 11.8188 11.8330 11.8330 12.1869 12.1869 12.2670 12.2670 13.6503 13.6503 13.7153 13.7153 13.9437 13.9437 19.1338 19.1338 19.5593 19.5593 k = 0.0403 0.0403-0.0000 ( 1743 PWs) bands (ev): 3.0372 3.0372 5.2976 5.2976 5.3448 5.3448 5.6604 5.6604 5.6956 5.6956 5.7992 5.7992 8.0641 8.0641 8.9685 8.9685 9.1461 9.1461 9.2956 9.2956 9.3433 9.3433 9.6483 9.6483 10.3390 10.3390 10.4177 10.4177 10.7745 10.7745 11.1740 11.1740 11.6934 11.6934 11.8268 11.8268 11.8403 11.8403 12.2143 12.2143 12.2843 12.2843 13.6803 13.6803 13.7309 13.7309 13.8935 13.8935 19.0919 19.0919 19.5187 19.5187 k = 0.0323 0.0323-0.0000 ( 1743 PWs) bands (ev): 3.0232 3.0232 5.2956 5.2956 5.3430 5.3430 5.6592 5.6592 5.6945 5.6945 5.7984 5.7984 8.0602 8.0602 8.9673 8.9673 9.1481 9.1481 9.2957 9.2957 9.3430 9.3430 9.6481 9.6481 10.3446 10.3446 10.4226 10.4226 10.7765 10.7765 11.1828 11.1828 11.6999 11.6999 11.8333 11.8333 11.8462 11.8462 12.2360 12.2360 12.3005 12.3005 13.7046 13.7046 13.7451 13.7451 13.8514 13.8514 19.0528 19.0528 19.4888 19.4888 k = 0.0242 0.0242-0.0000 ( 1743 PWs) bands (ev): 3.0123 3.0123 5.2940 5.2940 5.3417 5.3417 5.6583 5.6583 5.6936 5.6936 5.7978 5.7978 8.0571 8.0571 8.9663 8.9663 9.1497 9.1497 9.2958 9.2958 9.3427 9.3427 9.6479 9.6479 10.3490 10.3490 10.4264 10.4264 10.7781 10.7781 11.1896 11.1896 11.7051 11.7051 11.8385 11.8385 11.8508 11.8508 12.2524 12.2524 12.3144 12.3144 13.7228 13.7228 13.7576 13.7576 13.8181 13.8181 19.0195 19.0195 19.4668 19.4668 k = 0.0161 0.0161-0.0000 ( 1743 PWs) bands (ev): 3.0046 3.0046 5.2928 5.2928 5.3407 5.3407 5.6577 5.6577 5.6930 5.6930 5.7974 5.7974 8.0549 8.0549 8.9656 8.9656 9.1508 9.1508 9.2959 9.2959 9.3426 9.3426 9.6478 9.6478 10.3520 10.3520 10.4292 10.4292 10.7793 10.7793 11.1944 11.1944 11.7089 11.7089 11.8421 11.8421 11.8542 11.8542 12.2638 12.2638 12.3251 12.3251 13.7346 13.7346 13.7676 13.7676 13.7945 13.7945 18.9941 18.9941 19.4510 19.4510 k = 0.0081 0.0081-0.0000 ( 1743 PWs) bands (ev): 2.9999 2.9999 5.2922 5.2922 5.3401 5.3401 5.6573 5.6573 5.6926 5.6926 5.7971 5.7971 8.0536 8.0536 8.9651 8.9651 9.1515 9.1515 9.2960 9.2960 9.3424 9.3424 9.6477 9.6477 10.3539 10.3539 10.4309 10.4309 10.7800 10.7800 11.1973 11.1973 11.7112 11.7112 11.8443 11.8443 11.8562 11.8562 12.2706 12.2706 12.3318 12.3318 13.7405 13.7405 13.7742 13.7742 13.7809 13.7809 18.9784 18.9784 19.4409 19.4409 k = 0.0000 0.0000 0.0000 ( 1743 PWs) bands (ev): 2.9983 2.9983 5.2919 5.2919 5.3399 5.3399 5.6571 5.6571 5.6925 5.6925 5.7970 5.7970 8.0532 8.0532 8.9650 8.9650 9.1517 9.1517 9.2960 9.2960 9.3424 9.3424 9.6477 9.6477 10.3545 10.3545 10.4315 10.4315 10.7802 10.7802 11.1983 11.1983 11.7119 11.7119 11.8451 11.8451 11.8569 11.8569 12.2728 12.2728 12.3341 12.3341 13.7420 13.7420 13.7762 13.7762 13.7771 13.7771 18.9730 18.9730 19.4373 19.4373 k = 0.0000 0.0000 0.0000 ( 1743 PWs) bands (ev): 2.9983 2.9983 5.2919 5.2919 5.3399 5.3399 5.6571 5.6571 5.6925 5.6925 5.7970 5.7970 8.0532 8.0532 8.9650 8.9650 9.1517 9.1517 9.2960 9.2960 9.3424 9.3424 9.6477 9.6477 10.3545 10.3545 10.4315 10.4315 10.7802 10.7802 11.1983 11.1983 11.7119 11.7119 11.8451 11.8451 11.8569 11.8569 12.2728 12.2728 12.3341 12.3341 13.7420 13.7420 13.7762 13.7762 13.7771 13.7771 18.9730 18.9730 19.4373 19.4373 k = 0.0000 0.0000 0.0114 ( 1743 PWs) bands (ev): 2.9999 2.9999 5.2921 5.2921 5.3401 5.3401 5.6572 5.6572 5.6926 5.6926 5.7971 5.7971 8.0537 8.0537 8.9653 8.9653 9.1519 9.1519 9.2961 9.2961 9.3425 9.3425 9.6471 9.6471 10.3539 10.3539 10.4309 10.4309 10.7798 10.7798 11.1964 11.1964 11.7107 11.7107 11.8440 11.8440 11.8566 11.8566 12.2715 12.2715 12.3327 12.3327 13.7439 13.7439 13.7700 13.7700 13.7814 13.7814 18.9775 18.9775 19.4437 19.4437 k = 0.0000 0.0000 0.0227 ( 1743 PWs) bands (ev): 3.0045 3.0045 5.2927 5.2927 5.3408 5.3408 5.6576 5.6576 5.6930 5.6930 5.7974 5.7974 8.0552 8.0552 8.9661 8.9661 9.1526 9.1526 9.2964 9.2964 9.3429 9.3429 9.6455 9.6455 10.3520 10.3520 10.4291 10.4291 10.7785 10.7785 11.1906 11.1906 11.7072 11.7072 11.8409 11.8409 11.8559 11.8559 12.2672 12.2672 12.3288 12.3288 13.7287 13.7287 13.7710 13.7710 13.7957 13.7957 18.9901 18.9901 19.4580 19.4580 k = 0.0000 0.0000 0.0341 ( 1743 PWs) bands (ev): 3.0121 3.0121 5.2937 5.2937 5.3419 5.3419 5.6582 5.6582 5.6936 5.6936 5.7978 5.7978 8.0576 8.0576 8.9676 8.9676 9.1537 9.1537 9.2968 9.2968 9.3436 9.3436 9.6429 9.6429 10.3487 10.3487 10.4261 10.4261 10.7764 10.7764 11.1810 11.1810 11.7013 11.7013 11.8358 11.8358 11.8547 11.8547 12.2591 12.2591 12.3236 12.3236 13.6832 13.6832 13.7934 13.7934 13.8194 13.8194 19.0083 19.0083 19.4688 19.4688 k = 0.0000 0.0000 0.0455 ( 1743 PWs) bands (ev): 3.0229 3.0229 5.2950 5.2950 5.3434 5.3434 5.6590 5.6590 5.6945 5.6945 5.7983 5.7983 8.0610 8.0610 8.9696 8.9696 9.1551 9.1551 9.2975 9.2975 9.3446 9.3446 9.6391 9.6391 10.3440 10.3440 10.4222 10.4222 10.7734 10.7734 11.1675 11.1675 11.6932 11.6932 11.8288 11.8288 11.8531 11.8531 12.2465 12.2465 12.3183 12.3183 13.6188 13.6188 13.8268 13.8268 13.8520 13.8520 19.0289 19.0289 19.4754 19.4754 k = 0.0000 0.0000 0.0568 ( 1743 PWs) bands (ev): 3.0366 3.0366 5.2967 5.2967 5.3454 5.3454 5.6601 5.6601 5.6957 5.6957 5.7990 5.7990 8.0654 8.0654 8.9722 8.9722 9.1569 9.1569 9.2984 9.2984 9.3458 9.3458 9.6343 9.6343 10.3377 10.3377 10.4175 10.4175 10.7695 10.7695 11.1502 11.1502 11.6832 11.6832 11.8202 11.8202 11.8511 11.8511 12.2292 12.2292 12.3139 12.3139 13.5390 13.5390 13.8691 13.8691 13.8929 13.8929 19.0495 19.0495 19.4808 19.4808 k = 0.0000 0.0000 0.0682 ( 1743 PWs) bands (ev): 3.0535 3.0535 5.2988 5.2988 5.3478 5.3478 5.6614 5.6614 5.6970 5.6970 5.7999 5.7999 8.0706 8.0706 8.9753 8.9753 9.1590 9.1590 9.2994 9.2994 9.3473 9.3473 9.6284 9.6284 10.3297 10.3297 10.4123 10.4123 10.7648 10.7648 11.1293 11.1293 11.6714 11.6714 11.8099 11.8099 11.8487 11.8487 12.2075 12.2075 12.3105 12.3105 13.4461 13.4461 13.9193 13.9193 13.9417 13.9417 19.0688 19.0688 19.4864 19.4864 k = 0.0000 0.0000 0.0795 ( 1735 PWs) bands (ev): 3.0733 3.0733 5.3012 5.3012 5.3507 5.3507 5.6629 5.6629 5.6987 5.6987 5.8009 5.8009 8.0768 8.0768 8.9791 8.9791 9.1613 9.1613 9.3007 9.3007 9.3490 9.3490 9.6215 9.6215 10.3199 10.3199 10.4067 10.4067 10.7594 10.7594 11.1048 11.1048 11.6583 11.6583 11.7982 11.7982 11.8460 11.8460 12.1825 12.1825 12.3080 12.3080 13.3425 13.3425 13.9767 13.9767 13.9978 13.9978 19.0865 19.0865 19.4926 19.4926 k = 0.0000 0.0000 0.0909 ( 1739 PWs) bands (ev): 3.0962 3.0962 5.3039 5.3039 5.3539 5.3539 5.6646 5.6646 5.7006 5.7006 5.8021 5.8021 8.0837 8.0837 8.9831 8.9831 9.1635 9.1635 9.3020 9.3020 9.3509 9.3509 9.6135 9.6135 10.3080 10.3080 10.4009 10.4009 10.7528 10.7528 11.0769 11.0769 11.6439 11.6439 11.7845 11.7845 11.8427 11.8427 12.1549 12.1549 12.3060 12.3060 13.2304 13.2304 14.0407 14.0407 14.0605 14.0605 19.1027 19.1027 19.4995 19.4995 k = 0.0000 0.0000 0.1023 ( 1731 PWs) bands (ev): 3.1221 3.1221 5.3070 5.3070 5.3576 5.3576 5.6666 5.6666 5.7028 5.7028 5.8035 5.8035 8.0913 8.0913 8.9883 8.9883 9.1657 9.1657 9.3037 9.3037 9.3532 9.3532 9.6046 9.6046 10.2945 10.2945 10.3951 10.3951 10.7455 10.7455 11.0458 11.0458 11.6288 11.6288 11.7689 11.7689 11.8391 11.8391 12.1255 12.1255 12.3045 12.3045 13.1123 13.1123 14.1106 14.1106 14.1293 14.1293 19.1180 19.1180 19.5073 19.5073 k = 0.0000 0.0000 0.1136 ( 1731 PWs) bands (ev): 3.1510 3.1510 5.3103 5.3103 5.3616 5.3616 5.6687 5.6687 5.7052 5.7052 5.8050 5.8050 8.0995 8.0995 8.9937 8.9937 9.1676 9.1676 9.3055 9.3055 9.3556 9.3556 9.5947 9.5947 10.2793 10.2793 10.3892 10.3892 10.7373 10.7373 11.0118 11.0118 11.6130 11.6130 11.7507 11.7507 11.8351 11.8351 12.0949 12.0949 12.3032 12.3032 12.9904 12.9904 14.1858 14.1858 14.2037 14.2037 19.1328 19.1328 19.5159 19.5159 k = 0.0000 0.0000 0.1250 ( 1731 PWs) bands (ev): 3.1829 3.1829 5.3138 5.3138 5.3660 5.3660 5.6711 5.6711 5.7078 5.7078 5.8065 5.8065 8.1081 8.1081 8.9997 8.9997 9.1688 9.1688 9.3075 9.3075 9.3583 9.3583 9.5840 9.5840 10.2625 10.2625 10.3833 10.3833 10.7283 10.7283 10.9751 10.9751 11.5969 11.5969 11.7295 11.7295 11.8306 11.8306 12.0636 12.0636 12.3020 12.3020 12.8671 12.8671 14.2659 14.2659 14.2832 14.2832 19.1474 19.1474 19.5254 19.5254 k = 0.0000 0.0000 0.1364 ( 1739 PWs) bands (ev): 3.2177 3.2177 5.3175 5.3175 5.3707 5.3707 5.6735 5.6735 5.7106 5.7106 5.8082 5.8082 8.1172 8.1172 9.0061 9.0061 9.1691 9.1691 9.3096 9.3096 9.3610 9.3610 9.5726 9.5726 10.2441 10.2441 10.3773 10.3773 10.7182 10.7182 10.9362 10.9362 11.5802 11.5802 11.7044 11.7044 11.8254 11.8254 12.0321 12.0321 12.3010 12.3010 12.7448 12.7448 14.3504 14.3504 14.3673 14.3673 19.1622 19.1622 19.5358 19.5358 k = 0.0000 0.0000 0.1477 ( 1739 PWs) bands (ev): 3.2554 3.2554 5.3215 5.3215 5.3758 5.3758 5.6762 5.6762 5.7137 5.7137 5.8100 5.8100 8.1265 8.1265 9.0132 9.0132 9.1681 9.1681 9.3120 9.3120 9.3639 9.3639 9.5608 9.5608 10.2247 10.2247 10.3714 10.3714 10.7074 10.7074 10.8953 10.8953 11.5633 11.5633 11.6746 11.6746 11.8198 11.8198 12.0007 12.0007 12.3000 12.3000 12.6257 12.6257 14.4390 14.4390 14.4558 14.4558 19.1773 19.1773 19.5471 19.5471 k = 0.0000 0.0000 0.1591 ( 1739 PWs) bands (ev): 3.2961 3.2961 5.3257 5.3257 5.3812 5.3812 5.6790 5.6790 5.7170 5.7170 5.8119 5.8119 8.1358 8.1358 9.0208 9.0208 9.1653 9.1653 9.3146 9.3146 9.3670 9.3670 9.5487 9.5487 10.2044 10.2044 10.3653 10.3653 10.6956 10.6956 10.8528 10.8528 11.5457 11.5457 11.6392 11.6392 11.8133 11.8133 11.9700 11.9700 12.2991 12.2991 12.5127 12.5127 14.5314 14.5314 14.5483 14.5483 19.1930 19.1930 19.5595 19.5595 k = 0.0000 0.0000 0.1705 ( 1723 PWs) bands (ev): 3.3396 3.3396 5.3302 5.3302 5.3871 5.3871 5.6821 5.6821 5.7207 5.7207 5.8141 5.8141 8.1450 8.1450 9.0293 9.0293 9.1602 9.1602 9.3178 9.3178 9.3705 9.3705 9.5369 9.5369 10.1834 10.1834 10.3593 10.3593 10.6829 10.6829 10.8093 10.8093 11.5265 11.5265 11.5980 11.5980 11.8057 11.8057 11.9407 11.9407 12.2983 12.2983 12.4081 12.4081 14.6273 14.6273 14.6445 14.6445 19.2093 19.2093 19.5727 19.5727 k = 0.0000 0.0000 0.1818 ( 1723 PWs) bands (ev): 3.3859 3.3859 5.3346 5.3346 5.3931 5.3931 5.6852 5.6852 5.7244 5.7244 5.8162 5.8162 8.1535 8.1535 9.0381 9.0381 9.1520 9.1520 9.3210 9.3210 9.3738 9.3738 9.5257 9.5257 10.1618 10.1618 10.3530 10.3530 10.6692 10.6692 10.7647 10.7647 11.5010 11.5010 11.5542 11.5542 11.7965 11.7965 11.9131 11.9131 12.2963 12.2963 12.3152 12.3152 14.7264 14.7264 14.7442 14.7442 19.2264 19.2264 19.5870 19.5870 k = 0.0000 0.0000 0.1932 ( 1723 PWs) bands (ev): 3.4351 3.4351 5.3392 5.3392 5.3994 5.3994 5.6885 5.6885 5.7284 5.7284 5.8184 5.8184 8.1610 8.1610 9.0474 9.0474 9.1403 9.1403 9.3245 9.3245 9.3772 9.3772 9.5156 9.5156 10.1398 10.1398 10.3465 10.3465 10.6545 10.6545 10.7195 10.7195 11.4570 11.4570 11.5197 11.5197 11.7850 11.7850 11.8882 11.8882 12.2316 12.2316 12.2972 12.2972 14.8285 14.8285 14.8473 14.8473 19.2443 19.2443 19.6023 19.6023 k = 0.0000 0.0000 0.2045 ( 1723 PWs) bands (ev): 3.4869 3.4869 5.3438 5.3438 5.4059 5.4059 5.6918 5.6918 5.7326 5.7326 5.8206 5.8206 8.1671 8.1671 9.0572 9.0572 9.1245 9.1245 9.3283 9.3283 9.3808 9.3808 9.5071 9.5071 10.1177 10.1177 10.3399 10.3399 10.6383 10.6383 10.6744 10.6744 11.3926 11.3926 11.4972 11.4972 11.7705 11.7705 11.8670 11.8670 12.1622 12.1622 12.2963 12.2963 14.9335 14.9335 14.9533 14.9533 19.2632 19.2632 19.6186 19.6186 k = 0.0000 0.0000 0.2159 ( 1727 PWs) bands (ev): 3.5415 3.5415 5.3485 5.3485 5.4127 5.4127 5.6952 5.6952 5.7370 5.7370 5.8229 5.8229 8.1712 8.1712 9.0674 9.0674 9.1045 9.1045 9.3321 9.3321 9.3842 9.3842 9.5007 9.5007 10.0957 10.0957 10.3331 10.3331 10.6173 10.6173 10.6330 10.6330 11.3170 11.3170 11.4790 11.4790 11.7527 11.7527 11.8497 11.8497 12.1043 12.1043 12.2954 12.2954 15.0413 15.0413 15.0623 15.0623 19.2831 19.2831 19.6359 19.6359 k = 0.0000 0.0000 0.2273 ( 1731 PWs) bands (ev): 3.5987 3.5987 5.3532 5.3532 5.4197 5.4197 5.6986 5.6986 5.7416 5.7416 5.8252 5.8252 8.1723 8.1723 9.0757 9.0757 9.0828 9.0828 9.3360 9.3360 9.3877 9.3877 9.4965 9.4965 10.0739 10.0739 10.3261 10.3261 10.5784 10.5784 10.6086 10.6086 11.2355 11.2355 11.4624 11.4624 11.7320 11.7320 11.8363 11.8363 12.0562 12.0562 12.2946 12.2946 15.1516 15.1516 15.1741 15.1741 19.3040 19.3040 19.6542 19.6542 k = 0.0000 0.0000 0.2386 ( 1719 PWs) bands (ev): 3.6584 3.6584 5.3581 5.3581 5.4270 5.4270 5.7023 5.7023 5.7465 5.7465 5.8277 5.8277 8.1698 8.1698 9.0518 9.0518 9.0903 9.0903 9.3399 9.3399 9.3915 9.3915 9.4951 9.4951 10.0525 10.0525 10.3189 10.3189 10.5338 10.5338 10.5894 10.5894 11.1518 11.1518 11.4468 11.4468 11.7096 11.7096 11.8259 11.8259 12.0164 12.0164 12.2939 12.2939 15.2644 15.2644 15.2884 15.2884 19.3261 19.3261 19.6736 19.6736 k = 0.0000 0.0000 0.2500 ( 1707 PWs) bands (ev): 3.7206 3.7206 5.3629 5.3629 5.4345 5.4345 5.7060 5.7060 5.7517 5.7517 5.8302 5.8302 8.1623 8.1623 9.0216 9.0216 9.1024 9.1024 9.3435 9.3435 9.3951 9.3951 9.4960 9.4960 10.0318 10.0318 10.3113 10.3113 10.4890 10.4890 10.5700 10.5700 11.0684 11.0684 11.4316 11.4316 11.6860 11.6860 11.8173 11.8173 11.9830 11.9830 12.2932 12.2932 15.3796 15.3796 15.4052 15.4052 19.3492 19.3492 19.6939 19.6939 k = 0.0000 0.0000 0.2614 ( 1715 PWs) bands (ev): 3.7852 3.7852 5.3676 5.3676 5.4421 5.4421 5.7095 5.7095 5.7569 5.7569 5.8326 5.8326 8.1484 8.1484 8.9898 8.9898 9.1147 9.1147 9.3465 9.3465 9.3985 9.3985 9.4991 9.4991 10.0117 10.0117 10.3030 10.3030 10.4449 10.4449 10.5497 10.5497 10.9874 10.9874 11.4167 11.4167 11.6619 11.6619 11.8099 11.8099 11.9544 11.9544 12.2922 12.2922 15.4971 15.4971 15.5244 15.5244 19.3736 19.3736 19.7153 19.7153 k = 0.0000 0.0000 0.2727 ( 1715 PWs) bands (ev): 3.8520 3.8520 5.3722 5.3722 5.4499 5.4499 5.7131 5.7131 5.7624 5.7624 5.8351 5.8351 8.1265 8.1265 8.9585 8.9585 9.1276 9.1276 9.3491 9.3491 9.4019 9.4019 9.5044 9.5044 9.9924 9.9924 10.2938 10.2938 10.4023 10.4023 10.5284 10.5284 10.9104 10.9104 11.4022 11.4022 11.6379 11.6379 11.8035 11.8035 11.9296 11.9296 12.2915 12.2915 15.6169 15.6169 15.6458 15.6458 19.3991 19.3991 19.7376 19.7376 k = 0.0000 0.0000 0.2841 ( 1719 PWs) bands (ev): 3.9209 3.9209 5.3768 5.3768 5.4580 5.4580 5.7166 5.7166 5.7681 5.7681 5.8375 5.8375 8.0953 8.0953 8.9293 8.9293 9.1409 9.1409 9.3511 9.3511 9.4051 9.4051 9.5114 9.5114 9.9741 9.9741 10.2821 10.2821 10.3625 10.3625 10.5062 10.5062 10.8387 10.8387 11.3880 11.3880 11.6143 11.6143 11.7976 11.7976 11.9078 11.9078 12.2908 12.2908 15.7388 15.7388 15.7695 15.7695 19.4257 19.4257 19.7609 19.7609 k = 0.0000 0.0000 0.2955 ( 1727 PWs) bands (ev): 3.9918 3.9918 5.3813 5.3813 5.4663 5.4663 5.7201 5.7201 5.7740 5.7740 5.8399 5.8399 8.0536 8.0536 8.9038 8.9038 9.1546 9.1546 9.3526 9.3526 9.4085 9.4085 9.5200 9.5200 9.9567 9.9567 10.2658 10.2658 10.3285 10.3285 10.4826 10.4826 10.7727 10.7727 11.3742 11.3742 11.5911 11.5911 11.7922 11.7922 11.8882 11.8882 12.2901 12.2901 15.8628 15.8628 15.8952 15.8952 19.4536 19.4536 19.7851 19.7851 k = 0.0000 0.0000 0.3068 ( 1727 PWs) bands (ev): 4.0644 4.0644 5.3856 5.3856 5.4749 5.4749 5.7236 5.7236 5.7803 5.7803 5.8423 5.8423 8.0007 8.0007 8.8833 8.8833 9.1688 9.1688 9.3535 9.3535 9.4118 9.4118 9.5299 9.5299 9.9405 9.9405 10.2407 10.2407 10.3042 10.3042 10.4583 10.4583 10.7131 10.7131 11.3608 11.3608 11.5688 11.5688 11.7871 11.7871 11.8707 11.8707 12.2895 12.2895 15.9889 15.9889 16.0229 16.0229 19.4827 19.4827 19.8102 19.8102 k = 0.0000 0.0000 0.3182 ( 1727 PWs) bands (ev): 4.1385 4.1385 5.3899 5.3899 5.4838 5.4838 5.7270 5.7270 5.7870 5.7870 5.8447 5.8447 7.9366 7.9366 8.8684 8.8684 9.1834 9.1834 9.3539 9.3539 9.4152 9.4152 9.5407 9.5407 9.9253 9.9253 10.2079 10.2079 10.2888 10.2888 10.4331 10.4331 10.6597 10.6597 11.3479 11.3479 11.5473 11.5473 11.7824 11.7824 11.8547 11.8547 12.2889 12.2889 16.1169 16.1169 16.1526 16.1526 19.5130 19.5130 19.8360 19.8360 k = 0.0000 0.0000 0.3295 ( 1727 PWs) bands (ev): 4.2139 4.2139 5.3939 5.3939 5.4931 5.4931 5.7303 5.7303 5.7940 5.7940 5.8471 5.8471 7.8622 7.8622 8.8588 8.8588 9.1984 9.1984 9.3538 9.3538 9.4186 9.4186 9.5523 9.5523 9.9111 9.9111 10.1719 10.1719 10.2776 10.2776 10.4075 10.4075 10.6123 10.6123 11.3355 11.3355 11.5267 11.5267 11.7780 11.7780 11.8402 11.8402 12.2883 12.2883 16.2469 16.2469 16.2842 16.2842 19.5444 19.5444 19.8626 19.8626 k = 0.0000 0.0000 0.3409 ( 1727 PWs) bands (ev): 4.2901 4.2901 5.3979 5.3979 5.5028 5.5028 5.7335 5.7335 5.8016 5.8016 5.8495 5.8495 7.7784 7.7784 8.8542 8.8542 9.2136 9.2136 9.3533 9.3533 9.4221 9.4221 9.5644 9.5644 9.8979 9.8979 10.1355 10.1355 10.2681 10.2681 10.3818 10.3818 10.5705 10.5705 11.3236 11.3236 11.5072 11.5072 11.7738 11.7738 11.8268 11.8268 12.2878 12.2878 16.3787 16.3787 16.4176 16.4176 19.5769 19.5769 19.8896 19.8896 k = 0.0000 0.0000 0.3523 ( 1723 PWs) bands (ev): 4.3667 4.3667 5.4016 5.4016 5.5132 5.5132 5.7366 5.7366 5.8098 5.8098 5.8519 5.8519 7.6869 7.6869 8.8537 8.8537 9.2290 9.2290 9.3525 9.3525 9.4256 9.4256 9.5769 9.5769 9.8855 9.8855 10.0999 10.0999 10.2590 10.2590 10.3567 10.3567 10.5337 10.5337 11.3122 11.3122 11.4887 11.4887 11.7697 11.7697 11.8149 11.8149 12.2872 12.2872 16.5123 16.5123 16.5528 16.5528 19.6104 19.6104 19.9169 19.9169 k = 0.0000 0.0000 0.3636 ( 1719 PWs) bands (ev): 4.4432 4.4432 5.4052 5.4052 5.5242 5.5242 5.7396 5.7396 5.8187 5.8187 5.8545 5.8545 7.5889 7.5889 8.8565 8.8565 9.2445 9.2445 9.3515 9.3515 9.4291 9.4291 9.5894 9.5894 9.8737 9.8737 10.0658 10.0658 10.2498 10.2498 10.3331 10.3331 10.5012 10.5012 11.3016 11.3016 11.4713 11.4713 11.7659 11.7659 11.8039 11.8039 12.2867 12.2867 16.6476 16.6476 16.6897 16.6897 19.6448 19.6448 19.9442 19.9442 k = 0.0000 0.0000 0.3750 ( 1719 PWs) bands (ev): 4.5190 4.5190 5.4085 5.4085 5.5359 5.5359 5.7424 5.7424 5.8285 5.8285 5.8574 5.8574 7.4860 7.4860 8.8618 8.8618 9.2597 9.2597 9.3505 9.3505 9.4328 9.4328 9.6019 9.6019 9.8621 9.8621 10.0337 10.0337 10.2397 10.2397 10.3117 10.3117 10.4722 10.4722 11.2914 11.2914 11.4552 11.4552 11.7620 11.7620 11.7940 11.7940 12.2863 12.2863 16.7847 16.7847 16.8282 16.8282 19.6799 19.6799 19.9706 19.9706 k = 0.0000 0.0000 0.3864 ( 1711 PWs) bands (ev): 4.5931 4.5931 5.4117 5.4117 5.5485 5.5485 5.7451 5.7451 5.8388 5.8388 5.8616 5.8616 7.3795 7.3795 8.8689 8.8689 9.2745 9.2745 9.3499 9.3499 9.4365 9.4365 9.6141 9.6141 9.8505 9.8505 10.0043 10.0043 10.2283 10.2283 10.2937 10.2937 10.4463 10.4463 11.2822 11.2822 11.4404 11.4404 11.7582 11.7582 11.7854 11.7854 12.2859 12.2859 16.9233 16.9233 16.9684 16.9684 19.7155 19.7155 19.9901 19.9901 k = 0.0000 0.0000 0.3977 ( 1711 PWs) bands (ev): 4.6648 4.6648 5.4146 5.4146 5.5619 5.5619 5.7476 5.7476 5.8477 5.8477 5.8693 5.8693 7.2705 7.2705 8.8771 8.8771 9.2880 9.2880 9.3502 9.3502 9.4403 9.4403 9.6258 9.6258 9.8381 9.8381 9.9780 9.9780 10.2154 10.2154 10.2792 10.2792 10.4232 10.4232 11.2735 11.2735 11.4267 11.4267 11.7541 11.7541 11.7780 11.7780 12.2855 12.2855 17.0634 17.0634 17.1101 17.1101 19.7509 19.7509 19.9044 19.9044 k = 0.0000 0.0000 0.4091 ( 1703 PWs) bands (ev): 4.7329 4.7329 5.4173 5.4173 5.5761 5.5761 5.7500 5.7500 5.8534 5.8534 5.8836 5.8836 7.1603 7.1603 8.8861 8.8861 9.2997 9.2997 9.3522 9.3522 9.4442 9.4442 9.6369 9.6369 9.8245 9.8245 9.9556 9.9556 10.2015 10.2015 10.2682 10.2682 10.4026 10.4026 11.2656 11.2656 11.4144 11.4144 11.7500 11.7500 11.7720 11.7720 12.2852 12.2852 17.2049 17.2049 17.2531 17.2531 19.7404 19.7404 19.7783 19.7783 k = 0.0000 0.0000 0.4205 ( 1710 PWs) bands (ev): 4.7962 4.7962 5.4197 5.4197 5.5906 5.5906 5.7520 5.7520 5.8565 5.8565 5.9045 5.9045 7.0498 7.0498 8.8948 8.8948 9.3081 9.3081 9.3566 9.3566 9.4483 9.4483 9.6470 9.6470 9.8095 9.8095 9.9371 9.9371 10.1874 10.1874 10.2598 10.2598 10.3843 10.3843 11.2583 11.2583 11.4032 11.4032 11.7457 11.7457 11.7671 11.7671 12.2849 12.2849 17.3475 17.3475 17.3975 17.3975 19.5761 19.5761 19.6312 19.6312 k = 0.0000 0.0000 0.4318 ( 1710 PWs) bands (ev): 4.8533 4.8533 5.4218 5.4218 5.6052 5.6052 5.7539 5.7539 5.8585 5.8585 5.9321 5.9321 6.9402 6.9402 8.9032 8.9032 9.3133 9.3133 9.3636 9.3636 9.4527 9.4527 9.6560 9.6560 9.7935 9.7935 9.9230 9.9230 10.1738 10.1738 10.2535 10.2535 10.3682 10.3682 11.2520 11.2520 11.3937 11.3937 11.7415 11.7415 11.7634 11.7634 12.2846 12.2846 17.4910 17.4910 17.5430 17.5430 19.4124 19.4124 19.4688 19.4688 k = 0.0000 0.0000 0.4432 ( 1710 PWs) bands (ev): 4.9032 4.9032 5.4236 5.4236 5.6190 5.6190 5.7555 5.7555 5.8600 5.8600 5.9668 5.9668 6.8325 6.8325 8.9109 8.9109 9.3158 9.3158 9.3721 9.3721 9.4575 9.4575 9.6637 9.6637 9.7772 9.7772 9.9126 9.9126 10.1616 10.1616 10.2486 10.2486 10.3545 10.3545 11.2466 11.2466 11.3855 11.3855 11.7376 11.7376 11.7605 11.7605 12.2844 12.2844 17.6349 17.6349 17.6893 17.6893 19.2506 19.2506 19.3085 19.3085 k = 0.0000 0.0000 0.4545 ( 1706 PWs) bands (ev): 4.9449 4.9449 5.4252 5.4252 5.6313 5.6313 5.7570 5.7570 5.8611 5.8611 6.0091 6.0091 6.7283 6.7283 8.9177 8.9177 9.3167 9.3167 9.3807 9.3807 9.4625 9.4625 9.6699 9.6699 9.7617 9.7617 9.9053 9.9053 10.1511 10.1511 10.2448 10.2448 10.3431 10.3431 11.2422 11.2422 11.3788 11.3788 11.7342 11.7342 11.7584 11.7584 12.2842 12.2842 17.7781 17.7781 17.8359 17.8359 19.0913 19.0913 19.1516 19.1516 k = 0.0000 0.0000 0.4659 ( 1706 PWs) bands (ev): 4.9777 4.9777 5.4264 5.4264 5.6413 5.6413 5.7581 5.7581 5.8619 5.8619 6.0587 6.0587 6.6294 6.6294 8.9231 8.9231 9.3169 9.3169 9.3880 9.3880 9.4675 9.4675 9.6743 9.6743 9.7483 9.7483 9.9003 9.9003 10.1427 10.1427 10.2420 10.2420 10.3342 10.3342 11.2387 11.2387 11.3736 11.3736 11.7314 11.7314 11.7568 11.7568 12.2841 12.2841 17.9186 17.9186 17.9820 17.9820 18.9356 18.9356 19.0003 19.0003 k = 0.0000 0.0000 0.4773 ( 1694 PWs) bands (ev): 5.0012 5.0012 5.4273 5.4273 5.6489 5.6489 5.7589 5.7589 5.8626 5.8626 6.1127 6.1127 6.5398 6.5398 8.9272 8.9272 9.3171 9.3171 9.3937 9.3937 9.4722 9.4722 9.6770 9.6770 9.7383 9.7383 9.8973 9.8973 10.1366 10.1366 10.2402 10.2402 10.3278 10.3278 11.2362 11.2362 11.3699 11.3699 11.7294 11.7294 11.7558 11.7558 12.2840 12.2840 18.0511 18.0511 18.1250 18.1250 18.7857 18.7857 18.8599 18.8599 k = 0.0000 0.0000 0.4886 ( 1686 PWs) bands (ev): 5.0153 5.0153 5.4278 5.4278 5.6535 5.6535 5.7594 5.7594 5.8630 5.8630 6.1626 6.1626 6.4685 6.4685 8.9297 8.9297 9.3171 9.3171 9.3971 9.3971 9.4754 9.4754 9.6781 9.6781 9.7323 9.7323 9.8956 9.8956 10.1329 10.1329 10.2390 10.2390 10.3241 10.3241 11.2348 11.2348 11.3677 11.3677 11.7283 11.7283 11.7552 11.7552 12.2840 12.2840 18.1607 18.1607 18.2564 18.2564 18.6505 18.6505 18.7455 18.7455 k = 0.0000 0.0000 0.5000 ( 1686 PWs) bands (ev): 5.0200 5.0200 5.4280 5.4280 5.6551 5.6551 5.7596 5.7596 5.8632 5.8632 6.1861 6.1861 6.4378 6.4378 8.9305 8.9305 9.3171 9.3171 9.3982 9.3982 9.4766 9.4766 9.6783 9.6783 9.7302 9.7302 9.8951 9.8951 10.1316 10.1316 10.2387 10.2387 10.3228 10.3228 11.2342 11.2342 11.3669 11.3669 11.7279 11.7279 11.7550 11.7550 12.2840 12.2840 18.2088 18.2088 18.3280 18.3280 18.5775 18.5775 18.6957 18.6957 k = 0.0000 0.0000 0.5000 ( 1686 PWs) bands (ev): 5.0200 5.0200 5.4280 5.4280 5.6551 5.6551 5.7596 5.7596 5.8632 5.8632 6.1861 6.1861 6.4378 6.4378 8.9305 8.9305 9.3171 9.3171 9.3982 9.3982 9.4766 9.4766 9.6783 9.6783 9.7302 9.7302 9.8951 9.8951 10.1316 10.1316 10.2387 10.2387 10.3228 10.3228 11.2342 11.2342 11.3669 11.3669 11.7279 11.7279 11.7550 11.7550 12.2840 12.2840 18.2088 18.2088 18.3280 18.3280 18.5775 18.5775 18.6957 18.6957 k = 0.0000 0.0114 0.5000 ( 1686 PWs) bands (ev): 5.0210 5.0210 5.4281 5.4281 5.6548 5.6548 5.7596 5.7596 5.8625 5.8625 6.1883 6.1883 6.4380 6.4380 8.9310 8.9310 9.3165 9.3165 9.3977 9.3977 9.4757 9.4757 9.6779 9.6779 9.7301 9.7301 9.8947 9.8947 10.1332 10.1332 10.2390 10.2390 10.3228 10.3228 11.2347 11.2347 11.3669 11.3669 11.7278 11.7278 11.7549 11.7549 12.2828 12.2828 18.2013 18.2013 18.3069 18.3069 18.5711 18.5711 18.6816 18.6816 k = 0.0000 0.0227 0.5000 ( 1692 PWs) bands (ev): 5.0240 5.0240 5.4285 5.4285 5.6540 5.6540 5.7596 5.7596 5.8607 5.8607 6.1951 6.1951 6.4384 6.4384 8.9323 8.9323 9.3150 9.3150 9.3960 9.3960 9.4730 9.4730 9.6767 9.6767 9.7296 9.7296 9.8939 9.8939 10.1377 10.1377 10.2399 10.2399 10.3228 10.3228 11.2361 11.2361 11.3668 11.3668 11.7276 11.7276 11.7546 11.7546 12.2794 12.2794 18.1556 18.1556 18.2727 18.2727 18.5364 18.5364 18.6571 18.6571 k = 0.0000 0.0341 0.5000 ( 1698 PWs) bands (ev): 5.0290 5.0290 5.4292 5.4292 5.6526 5.6526 5.7597 5.7597 5.8579 5.8579 6.2062 6.2062 6.4392 6.4392 8.9348 8.9348 9.3122 9.3122 9.3932 9.3932 9.4686 9.4686 9.6745 9.6745 9.7288 9.7288 9.8929 9.8929 10.1448 10.1448 10.2414 10.2414 10.3228 10.3228 11.2385 11.2385 11.3666 11.3666 11.7271 11.7271 11.7541 11.7541 12.2737 12.2737 18.0458 18.0458 18.2650 18.2650 18.4509 18.4509 18.6513 18.6513 k = 0.0000 0.0455 0.5000 ( 1706 PWs) bands (ev): 5.0359 5.0359 5.4303 5.4303 5.6508 5.6508 5.7599 5.7599 5.8544 5.8544 6.2211 6.2211 6.4403 6.4403 8.9384 8.9384 9.3084 9.3084 9.3892 9.3892 9.4628 9.4628 9.6712 9.6712 9.7276 9.7276 9.8923 9.8923 10.1542 10.1542 10.2435 10.2435 10.3227 10.3227 11.2418 11.2418 11.3663 11.3663 11.7265 11.7265 11.7535 11.7535 12.2657 12.2657 17.8972 17.8972 18.2708 18.2708 18.3266 18.3266 18.6614 18.6614 k = 0.0000 0.0568 0.5000 ( 1706 PWs) bands (ev): 5.0448 5.0448 5.4316 5.4316 5.6486 5.6486 5.7602 5.7602 5.8506 5.8506 6.2397 6.2397 6.4418 6.4418 8.9430 8.9430 9.3038 9.3038 9.3843 9.3843 9.4557 9.4557 9.6666 9.6666 9.7260 9.7260 9.8926 9.8926 10.1655 10.1655 10.2462 10.2462 10.3228 10.3228 11.2459 11.2459 11.3661 11.3661 11.7256 11.7256 11.7529 11.7529 12.2556 12.2556 17.7283 17.7283 18.1727 18.1727 18.2875 18.2875 18.6800 18.6800 k = 0.0000 0.0682 0.5000 ( 1702 PWs) bands (ev): 5.0555 5.0555 5.4333 5.4333 5.6459 5.6459 5.7606 5.7606 5.8467 5.8467 6.2616 6.2616 6.4437 6.4437 8.9485 8.9485 9.2981 9.2981 9.3784 9.3784 9.4477 9.4477 9.6605 9.6605 9.7239 9.7239 9.8944 9.8944 10.1781 10.1781 10.2496 10.2496 10.3230 10.3230 11.2510 11.2510 11.3660 11.3660 11.7244 11.7244 11.7523 11.7523 12.2435 12.2435 17.5479 17.5479 18.0053 18.0053 18.3055 18.3055 18.7048 18.7048 k = 0.0000 0.0795 0.5000 ( 1706 PWs) bands (ev): 5.0680 5.0680 5.4352 5.4352 5.6430 5.6430 5.7611 5.7611 5.8428 5.8428 6.2863 6.2863 6.4461 6.4461 8.9548 8.9548 9.2912 9.2912 9.3711 9.3711 9.4388 9.4388 9.6528 9.6528 9.7212 9.7212 9.8979 9.8979 10.1915 10.1915 10.2533 10.2533 10.3232 10.3232 11.2569 11.2569 11.3661 11.3661 11.7228 11.7228 11.7517 11.7517 12.2292 12.2292 17.3611 17.3611 17.8261 17.8261 18.3278 18.3278 18.7349 18.7349 k = 0.0000 0.0909 0.5000 ( 1702 PWs) bands (ev): 5.0823 5.0823 5.4373 5.4373 5.6398 5.6398 5.7618 5.7618 5.8392 5.8392 6.3136 6.3136 6.4492 6.4492 8.9622 8.9622 9.2835 9.2835 9.3628 9.3628 9.4295 9.4295 9.6437 9.6437 9.7178 9.7178 9.9033 9.9033 10.2054 10.2054 10.2576 10.2576 10.3236 10.3236 11.2634 11.2634 11.3664 11.3664 11.7208 11.7208 11.7514 11.7514 12.2130 12.2130 17.1710 17.1710 17.6391 17.6391 18.3540 18.3540 18.7698 18.7698 k = 0.0000 0.1023 0.5000 ( 1706 PWs) bands (ev): 5.0981 5.0981 5.4396 5.4396 5.6365 5.6365 5.7627 5.7627 5.8360 5.8360 6.3429 6.3429 6.4532 6.4532 8.9705 8.9705 9.2746 9.2746 9.3532 9.3532 9.4198 9.4198 9.6332 9.6332 9.7136 9.7136 9.9104 9.9104 10.2192 10.2192 10.2622 10.2622 10.3245 10.3245 11.2702 11.2702 11.3671 11.3671 11.7182 11.7182 11.7513 11.7513 12.1948 12.1948 16.9797 16.9797 17.4471 17.4471 18.3838 18.3838 18.8095 18.8095 k = 0.0000 0.1136 0.5000 ( 1708 PWs) bands (ev): 5.1153 5.1153 5.4421 5.4421 5.6333 5.6333 5.7637 5.7637 5.8331 5.8331 6.3737 6.3737 6.4587 6.4587 8.9796 8.9796 9.2648 9.2648 9.3424 9.3424 9.4102 9.4102 9.6216 9.6216 9.7086 9.7086 9.9194 9.9194 10.2324 10.2324 10.2672 10.2672 10.3260 10.3260 11.2772 11.2772 11.3686 11.3686 11.7152 11.7152 11.7515 11.7515 12.1749 12.1749 16.7886 16.7886 17.2519 17.2519 18.4172 18.4172 18.8536 18.8536 k = 0.0000 0.1250 0.5000 ( 1700 PWs) bands (ev): 5.1339 5.1339 5.4448 5.4448 5.6303 5.6303 5.7650 5.7650 5.8309 5.8309 6.4043 6.4043 6.4671 6.4671 8.9896 8.9896 9.2537 9.2537 9.3304 9.3304 9.4007 9.4007 9.6092 9.6092 9.7030 9.7030 9.9301 9.9301 10.2443 10.2443 10.2725 10.2725 10.3287 10.3287 11.2843 11.2843 11.3713 11.3713 11.7120 11.7120 11.7519 11.7519 12.1533 12.1533 16.5987 16.5987 17.0550 17.0550 18.4541 18.4541 18.9021 18.9021 k = 0.0000 0.1364 0.5000 ( 1708 PWs) bands (ev): 5.1536 5.1536 5.4475 5.4475 5.6277 5.6277 5.7665 5.7665 5.8290 5.8290 6.4307 6.4307 6.4823 6.4823 9.0002 9.0002 9.2414 9.2414 9.3173 9.3173 9.3914 9.3914 9.5959 9.5959 9.6964 9.6964 9.9421 9.9421 10.2541 10.2541 10.2782 10.2782 10.3327 10.3327 11.2906 11.2906 11.3752 11.3752 11.7083 11.7083 11.7526 11.7526 12.1301 12.1301 16.4106 16.4106 16.8574 16.8574 18.4945 18.4945 18.9549 18.9549 k = 0.0000 0.1477 0.5000 ( 1708 PWs) bands (ev): 5.1742 5.1742 5.4501 5.4501 5.6257 5.6257 5.7682 5.7682 5.8276 5.8276 6.4485 6.4485 6.5089 6.5089 9.0114 9.0114 9.2278 9.2278 9.3035 9.3035 9.3826 9.3826 9.5824 9.5824 9.6891 9.6891 9.9553 9.9553 10.2611 10.2611 10.2847 10.2847 10.3388 10.3388 11.2960 11.2960 11.3812 11.3812 11.7044 11.7044 11.7536 11.7536 12.1053 12.1053 16.2250 16.2250 16.6600 16.6600 18.5382 18.5382 19.0118 19.0118 k = 0.0000 0.1591 0.5000 ( 1708 PWs) bands (ev): 5.1956 5.1956 5.4527 5.4527 5.6246 5.6246 5.7701 5.7701 5.8268 5.8268 6.4600 6.4600 6.5445 6.5445 9.0231 9.0231 9.2126 9.2126 9.2892 9.2892 9.3743 9.3743 9.5685 9.5685 9.6810 9.6810 9.9696 9.9696 10.2651 10.2651 10.2917 10.2917 10.3467 10.3467 11.3001 11.3001 11.3895 11.3895 11.7003 11.7003 11.7548 11.7548 12.0792 12.0792 16.0423 16.0423 16.4635 16.4635 18.5853 18.5853 19.0727 19.0727 k = 0.0000 0.1705 0.5000 ( 1704 PWs) bands (ev): 5.2173 5.2173 5.4551 5.4551 5.6247 5.6247 5.7722 5.7722 5.8266 5.8266 6.4693 6.4693 6.5850 6.5850 9.0352 9.0352 9.1959 9.1959 9.2749 9.2749 9.3664 9.3664 9.5546 9.5546 9.6721 9.6721 9.9849 9.9849 10.2666 10.2666 10.2990 10.2990 10.3562 10.3562 11.3027 11.3027 11.4001 11.4001 11.6962 11.6962 11.7562 11.7562 12.0520 12.0520 15.8628 15.8628 16.2683 16.2683 18.6357 18.6357 19.1375 19.1375 k = 0.0000 0.1818 0.5000 ( 1704 PWs) bands (ev): 5.2391 5.2391 5.4571 5.4571 5.6261 5.6261 5.7746 5.7746 5.8269 5.8269 6.4784 6.4784 6.6283 6.6283 9.0473 9.0473 9.1774 9.1774 9.2607 9.2607 9.3589 9.3589 9.5407 9.5407 9.6625 9.6625 10.0009 10.0009 10.2663 10.2663 10.3064 10.3064 10.3665 10.3665 11.3039 11.3039 11.4129 11.4129 11.6921 11.6921 11.7579 11.7579 12.0235 12.0235 15.6869 15.6869 16.0750 16.0750 18.6894 18.6894 19.2061 19.2061 k = 0.0000 0.1932 0.5000 ( 1708 PWs) bands (ev): 5.2607 5.2607 5.4586 5.4586 5.6291 5.6291 5.7770 5.7770 5.8277 5.8277 6.4881 6.4881 6.6737 6.6737 9.0589 9.0589 9.1572 9.1572 9.2468 9.2468 9.3518 9.3518 9.5269 9.5269 9.6520 9.6520 10.0176 10.0176 10.2649 10.2649 10.3139 10.3139 10.3772 10.3772 11.3040 11.3040 11.4277 11.4277 11.6883 11.6883 11.7598 11.7598 11.9939 11.9939 15.5146 15.5146 15.8838 15.8838 18.7463 18.7463 19.2784 19.2784 k = 0.0000 0.2045 0.5000 ( 1708 PWs) bands (ev): 5.2817 5.2817 5.4596 5.4596 5.6340 5.6340 5.7796 5.7796 5.8293 5.8293 6.4988 6.4988 6.7210 6.7210 9.0690 9.0690 9.1366 9.1366 9.2338 9.2338 9.3450 9.3450 9.5135 9.5135 9.6408 9.6408 10.0348 10.0348 10.2627 10.2627 10.3213 10.3213 10.3877 10.3877 11.3032 11.3032 11.4441 11.4441 11.6846 11.6846 11.7619 11.7619 11.9635 11.9635 15.3463 15.3463 15.6951 15.6951 18.8063 18.8063 19.3542 19.3542 k = 0.0000 0.2159 0.5000 ( 1704 PWs) bands (ev): 5.3018 5.3018 5.4601 5.4601 5.6409 5.6409 5.7823 5.7823 5.8317 5.8317 6.5108 6.5108 6.7699 6.7699 9.0732 9.0732 9.1193 9.1193 9.2219 9.2219 9.3387 9.3387 9.5006 9.5006 9.6289 9.6289 10.0524 10.0524 10.2601 10.2601 10.3288 10.3288 10.3976 10.3976 11.3017 11.3017 11.4617 11.4617 11.6813 11.6813 11.7644 11.7644 11.9326 11.9326 15.1822 15.1822 15.5092 15.5092 18.8695 18.8695 19.4335 19.4335 k = 0.0000 0.2273 0.5000 ( 1696 PWs) bands (ev): 5.3207 5.3207 5.4600 5.4600 5.6497 5.6497 5.7850 5.7850 5.8351 5.8351 6.5243 6.5243 6.8201 6.8201 9.0620 9.0620 9.1141 9.1141 9.2117 9.2117 9.3329 9.3329 9.4882 9.4882 9.6164 9.6164 10.0702 10.0702 10.2575 10.2575 10.3362 10.3362 10.4068 10.4068 11.2997 11.2997 11.4804 11.4804 11.6788 11.6788 11.7672 11.7672 11.9010 11.9010 15.0223 15.0223 15.3263 15.3263 18.9358 18.9358 19.5162 19.5162 k = 0.0000 0.2386 0.5000 ( 1700 PWs) bands (ev): 5.3382 5.3382 5.4591 5.4591 5.6601 5.6601 5.7876 5.7876 5.8395 5.8395 6.5397 6.5397 6.8715 6.8715 9.0374 9.0374 9.1181 9.1181 9.2037 9.2037 9.3273 9.3273 9.4764 9.4764 9.6033 9.6033 10.0878 10.0878 10.2551 10.2551 10.3434 10.3434 10.4147 10.4147 11.2973 11.2973 11.4996 11.4996 11.6771 11.6771 11.7702 11.7702 11.8690 11.8690 14.8668 14.8668 15.1467 15.1467 19.0051 19.0051 19.6020 19.6020 k = 0.0000 0.2500 0.5000 ( 1700 PWs) bands (ev): 5.3542 5.3542 5.4577 5.4577 5.6719 5.6719 5.7901 5.7901 5.8453 5.8453 6.5571 6.5571 6.9240 6.9240 9.0069 9.0069 9.1224 9.1224 9.1993 9.1993 9.3224 9.3224 9.4654 9.4654 9.5897 9.5897 10.1051 10.1051 10.2533 10.2533 10.3504 10.3504 10.4215 10.4215 11.2947 11.2947 11.5188 11.5188 11.6767 11.6767 11.7735 11.7735 11.8371 11.8371 14.7158 14.7158 14.9705 14.9705 19.0774 19.0774 19.6910 19.6910 k = 0.0000 0.2614 0.5000 ( 1700 PWs) bands (ev): 5.3686 5.3686 5.4559 5.4559 5.6844 5.6844 5.7924 5.7924 5.8526 5.8526 6.5768 6.5768 6.9774 6.9774 8.9729 8.9729 9.1233 9.1233 9.1994 9.1994 9.3181 9.3181 9.4552 9.4552 9.5758 9.5758 10.1215 10.1215 10.2527 10.2527 10.3571 10.3571 10.4269 10.4269 11.2918 11.2918 11.5372 11.5372 11.6784 11.6784 11.7762 11.7762 11.8064 11.8064 14.5694 14.5694 14.7981 14.7981 19.1526 19.1526 19.7830 19.7830 k = 0.0000 0.2727 0.5000 ( 1694 PWs) bands (ev): 5.3815 5.3815 5.4537 5.4537 5.6973 5.6973 5.7945 5.7945 5.8617 5.8617 6.5992 6.5992 7.0315 7.0315 8.9361 8.9361 9.1201 9.1201 9.2040 9.2040 9.3148 9.3148 9.4461 9.4461 9.5618 9.5618 10.1365 10.1365 10.2540 10.2540 10.3635 10.3635 10.4309 10.4309 11.2887 11.2887 11.5539 11.5539 11.6827 11.6827 11.7672 11.7672 11.7886 11.7886 14.4276 14.4276 14.6296 14.6296 19.2307 19.2307 19.8779 19.8779 k = 0.0000 0.2841 0.5000 ( 1698 PWs) bands (ev): 5.3929 5.3929 5.4512 5.4512 5.7098 5.7098 5.7963 5.7963 5.8722 5.8722 6.6243 6.6243 7.0860 7.0860 8.8966 8.8966 9.1140 9.1140 9.2110 9.2110 9.3121 9.3121 9.4379 9.4379 9.5477 9.5477 10.1490 10.1490 10.2577 10.2577 10.3693 10.3693 10.4334 10.4334 11.2855 11.2855 11.5671 11.5671 11.6905 11.6905 11.7399 11.7399 11.7912 11.7912 14.2906 14.2906 14.4652 14.4652 19.3115 19.3115 19.9756 19.9756 k = 0.0000 0.2955 0.5000 ( 1698 PWs) bands (ev): 5.4029 5.4029 5.4486 5.4486 5.7215 5.7215 5.7979 5.7979 5.8843 5.8843 6.6526 6.6526 7.1408 7.1408 8.8543 8.8543 9.1061 9.1061 9.2189 9.2189 9.3107 9.3107 9.4309 9.4309 9.5340 9.5340 10.1587 10.1587 10.2646 10.2646 10.3743 10.3743 10.4348 10.4348 11.2823 11.2823 11.5754 11.5754 11.6983 11.6983 11.7168 11.7168 11.7972 11.7972 14.1583 14.1583 14.3050 14.3050 19.3951 19.3951 20.0761 20.0761 k = 0.0000 0.3068 0.5000 ( 1694 PWs) bands (ev): 5.4115 5.4115 5.4460 5.4460 5.7322 5.7322 5.7994 5.7994 5.8977 5.8977 6.6843 6.6843 7.1957 7.1957 8.8095 8.8095 9.0975 9.0975 9.2263 9.2263 9.3108 9.3108 9.4251 9.4251 9.5208 9.5208 10.1651 10.1651 10.2749 10.2749 10.3783 10.3783 10.4352 10.4352 11.2790 11.2790 11.5769 11.5769 11.6823 11.6823 11.7257 11.7257 11.8046 11.8046 14.0309 14.0309 14.1494 14.1494 19.4813 19.4813 20.1791 20.1791 k = 0.0000 0.3182 0.5000 ( 1698 PWs) bands (ev): 5.4189 5.4189 5.4436 5.4436 5.7418 5.7418 5.8007 5.8007 5.9119 5.9119 6.7193 6.7193 7.2503 7.2503 8.7618 8.7618 9.0886 9.0886 9.2322 9.2322 9.3122 9.3122 9.4205 9.4205 9.5087 9.5087 10.1687 10.1687 10.2879 10.2879 10.3808 10.3808 10.4352 10.4352 11.2757 11.2757 11.5698 11.5698 11.6637 11.6637 11.7472 11.7472 11.8135 11.8135 13.9081 13.9081 13.9985 13.9985 19.5701 19.5701 20.2846 20.2846 k = 0.0000 0.3295 0.5000 ( 1690 PWs) bands (ev): 5.4247 5.4247 5.4420 5.4420 5.7503 5.7503 5.8019 5.8019 5.9265 5.9265 6.7580 6.7580 7.3044 7.3044 8.7115 8.7115 9.0798 9.0798 9.2366 9.2366 9.3151 9.3151 9.4170 9.4170 9.4981 9.4981 10.1702 10.1702 10.3024 10.3024 10.3817 10.3817 10.4354 10.4354 11.2724 11.2724 11.5537 11.5537 11.6521 11.6521 11.7729 11.7729 11.8241 11.8241 13.7902 13.7902 13.8525 13.8525 19.6613 19.6613 20.3924 20.3924 k = 0.0000 0.3409 0.5000 ( 1686 PWs) bands (ev): 5.4280 5.4280 5.4420 5.4420 5.7576 5.7576 5.8030 5.8030 5.9412 5.9412 6.8003 6.8003 7.3577 7.3577 8.6586 8.6586 9.0710 9.0710 9.2390 9.2390 9.3188 9.3188 9.4141 9.4141 9.4898 9.4898 10.1703 10.1703 10.3164 10.3164 10.3815 10.3815 10.4364 10.4364 11.2691 11.2691 11.5308 11.5308 11.6465 11.6465 11.8009 11.8009 11.8367 11.8367 13.6766 13.6766 13.7120 13.7120 19.7548 19.7548 20.5025 20.5025 k = 0.0000 0.3523 0.5000 ( 1686 PWs) bands (ev): 5.4284 5.4284 5.4443 5.4443 5.7640 5.7640 5.8039 5.8039 5.9553 5.9553 6.8462 6.8462 7.4097 7.4097 8.6031 8.6031 9.0626 9.0626 9.2400 9.2400 9.3228 9.3228 9.4111 9.4111 9.4847 9.4847 10.1695 10.1695 10.3264 10.3264 10.3828 10.3828 10.4383 10.4383 11.2658 11.2658 11.5044 11.5044 11.6441 11.6441 11.8301 11.8301 11.8522 11.8522 13.5648 13.5648 13.5796 13.5796 19.8506 19.8506 20.6147 20.6147 k = 0.0000 0.3636 0.5000 ( 1686 PWs) bands (ev): 5.4270 5.4270 5.4479 5.4479 5.7696 5.7696 5.8048 5.8048 5.9688 5.9688 6.8956 6.8956 7.4603 7.4603 8.5451 8.5451 9.0546 9.0546 9.2399 9.2399 9.3268 9.3268 9.4072 9.4072 9.4837 9.4837 10.1682 10.1682 10.3281 10.3281 10.3899 10.3899 10.4410 10.4410 11.2624 11.2624 11.4766 11.4766 11.6435 11.6435 11.8569 11.8569 11.8741 11.8741 13.4418 13.4418 13.4686 13.4686 19.9483 19.9483 20.7288 20.7288 k = 0.0000 0.3750 0.5000 ( 1686 PWs) bands (ev): 5.4250 5.4250 5.4517 5.4517 5.7745 5.7745 5.8055 5.8055 5.9812 5.9812 6.9484 6.9484 7.5089 7.5089 8.4848 8.4848 9.0470 9.0470 9.2391 9.2391 9.3304 9.3304 9.4021 9.4021 9.4869 9.4869 10.1667 10.1667 10.3209 10.3209 10.4033 10.4033 10.4443 10.4443 11.2590 11.2590 11.4487 11.4487 11.6438 11.6438 11.8792 11.8792 11.9044 11.9044 13.3175 13.3175 13.3690 13.3690 20.0479 20.0479 20.8446 20.8446 k = 0.0000 0.3864 0.5000 ( 1686 PWs) bands (ev): 5.4229 5.4229 5.4552 5.4552 5.7788 5.7788 5.8063 5.8063 5.9926 5.9926 7.0043 7.0043 7.5552 7.5552 8.4222 8.4222 9.0400 9.0400 9.2379 9.2379 9.3337 9.3337 9.3959 9.3959 9.4938 9.4938 10.1650 10.1650 10.3080 10.3080 10.4199 10.4199 10.4478 10.4478 11.2555 11.2555 11.4214 11.4214 11.6445 11.6445 11.9013 11.9013 11.9388 11.9388 13.1982 13.1982 13.2748 13.2748 20.1490 20.1490 20.9620 20.9620 k = 0.0000 0.3977 0.5000 ( 1686 PWs) bands (ev): 5.4208 5.4208 5.4585 5.4585 5.7825 5.7825 5.8069 5.8069 6.0028 6.0028 7.0631 7.0631 7.5987 7.5987 8.3576 8.3576 9.0336 9.0336 9.2365 9.2365 9.3368 9.3368 9.3892 9.3892 9.5036 9.5036 10.1632 10.1632 10.2919 10.2919 10.4376 10.4376 10.4513 10.4513 11.2519 11.2519 11.3954 11.3954 11.6453 11.6453 11.9255 11.9255 11.9751 11.9751 13.0844 13.0844 13.1856 13.1856 20.2513 20.2513 21.0805 21.0805 k = 0.0000 0.4091 0.5000 ( 1688 PWs) bands (ev): 5.4188 5.4188 5.4614 5.4614 5.7857 5.7857 5.8074 5.8074 6.0119 6.0119 7.1244 7.1244 7.6391 7.6391 8.2912 8.2912 9.0277 9.0277 9.2350 9.2350 9.3396 9.3396 9.3825 9.3825 9.5151 9.5151 10.1615 10.1615 10.2739 10.2739 10.4534 10.4534 10.4566 10.4566 11.2479 11.2479 11.3711 11.3711 11.6463 11.6463 11.9525 11.9525 12.0126 12.0126 12.9763 12.9763 13.1014 13.1014 20.3543 20.3543 21.1997 21.1997 k = 0.0000 0.4205 0.5000 ( 1688 PWs) bands (ev): 5.4170 5.4170 5.4639 5.4639 5.7885 5.7885 5.8080 5.8080 6.0198 6.0198 7.1880 7.1880 7.6759 7.6759 8.2234 8.2234 9.0225 9.0225 9.2334 9.2334 9.3423 9.3423 9.3761 9.3761 9.5277 9.5277 10.1599 10.1599 10.2550 10.2550 10.4574 10.4574 10.4730 10.4730 11.2437 11.2437 11.3492 11.3492 11.6473 11.6473 11.9826 11.9826 12.0509 12.0509 12.8740 12.8740 13.0222 13.0222 20.4572 20.4572 21.3191 21.3191 k = 0.0000 0.4318 0.5000 ( 1684 PWs) bands (ev): 5.4155 5.4155 5.4661 5.4661 5.7909 5.7909 5.8084 5.8084 6.0265 6.0265 7.2534 7.2534 7.7088 7.7088 8.1544 8.1544 9.0179 9.0179 9.2320 9.2320 9.3449 9.3449 9.3704 9.3704 9.5407 9.5407 10.1583 10.1583 10.2361 10.2361 10.4603 10.4603 10.4891 10.4891 11.2389 11.2389 11.3301 11.3301 11.6482 11.6482 12.0160 12.0160 12.0896 12.0896 12.7776 12.7776 12.9484 12.9484 20.5591 20.5591 21.4377 21.4377 k = 0.0000 0.4432 0.5000 ( 1690 PWs) bands (ev): 5.4141 5.4141 5.4678 5.4678 5.7928 5.7928 5.8088 5.8088 6.0321 6.0321 7.3200 7.3200 7.7373 7.7373 8.0847 8.0847 9.0140 9.0140 9.2307 9.2307 9.3472 9.3472 9.3653 9.3653 9.5534 9.5534 10.1566 10.1566 10.2180 10.2180 10.4628 10.4628 10.5036 10.5036 11.2336 11.2336 11.3143 11.3143 11.6489 11.6489 12.0528 12.0528 12.1279 12.1279 12.6872 12.6872 12.8804 12.8804 20.6583 20.6583 21.5540 21.5540 k = 0.0000 0.4545 0.5000 ( 1690 PWs) bands (ev): 5.4129 5.4129 5.4693 5.4693 5.7945 5.7945 5.8091 5.8091 6.0366 6.0366 7.3872 7.3872 7.7611 7.7611 8.0150 8.0150 9.0108 9.0108 9.2297 9.2297 9.3492 9.3492 9.3610 9.3610 9.5651 9.5651 10.1548 10.1548 10.2019 10.2019 10.4649 10.4649 10.5163 10.5163 11.2278 11.2278 11.3021 11.3021 11.6496 11.6496 12.0931 12.0931 12.1649 12.1649 12.6027 12.6027 12.8191 12.8191 20.7524 20.7524 21.6657 21.6657 k = 0.0000 0.4659 0.5000 ( 1692 PWs) bands (ev): 5.4120 5.4120 5.4705 5.4705 5.7957 5.7957 5.8094 5.8094 6.0401 6.0401 7.4537 7.4537 7.7799 7.7799 7.9466 7.9466 9.0083 9.0083 9.2288 9.2288 9.3509 9.3509 9.3577 9.3577 9.5752 9.5752 10.1527 10.1527 10.1888 10.1888 10.4665 10.4665 10.5266 10.5266 11.2221 11.2221 11.2932 11.2932 11.6501 11.6501 12.1369 12.1369 12.1990 12.1990 12.5245 12.5245 12.7663 12.7663 20.8375 20.8375 21.7686 21.7686 k = 0.0000 0.4773 0.5000 ( 1692 PWs) bands (ev): 5.4113 5.4113 5.4713 5.4713 5.7965 5.7965 5.8096 5.8096 6.0425 6.0425 7.5170 7.5170 7.7936 7.7936 7.8821 7.8821 9.0065 9.0065 9.2281 9.2281 9.3520 9.3520 9.3555 9.3555 9.5831 9.5831 10.1502 10.1502 10.1796 10.1796 10.4677 10.4677 10.5343 10.5343 11.2173 11.2173 11.2874 11.2874 11.6505 11.6505 12.1831 12.1831 12.2278 12.2278 12.4535 12.4535 12.7243 12.7243 20.9080 20.9080 21.8555 21.8555 k = 0.0000 0.4886 0.5000 ( 1692 PWs) bands (ev): 5.4109 5.4109 5.4717 5.4717 5.7971 5.7971 5.8097 5.8097 6.0440 6.0440 7.5699 7.5699 7.8018 7.8018 7.8284 7.8284 9.0054 9.0054 9.2277 9.2277 9.3524 9.3524 9.3545 9.3545 9.5880 9.5880 10.1480 10.1480 10.1745 10.1745 10.4684 10.4684 10.5391 10.5391 11.2140 11.2140 11.2841 11.2841 11.6507 11.6507 12.2279 12.2279 12.2483 12.2483 12.3932 12.3932 12.6966 12.6966 20.9558 20.9558 21.9151 21.9151 k = 0.0000 0.5000 0.5000 ( 1692 PWs) bands (ev): 5.4108 5.4108 5.4719 5.4719 5.7972 5.7972 5.8097 5.8097 6.0445 6.0445 7.5935 7.5935 7.8040 7.8040 7.8052 7.8052 9.0050 9.0050 9.2276 9.2276 9.3523 9.3523 9.3544 9.3544 9.5898 9.5898 10.1471 10.1471 10.1729 10.1729 10.4687 10.4687 10.5407 10.5407 11.2129 11.2129 11.2831 11.2831 11.6507 11.6507 12.2493 12.2493 12.2595 12.2595 12.3628 12.3628 12.6869 12.6869 20.9729 20.9729 21.9318 21.9318 k = 0.0000 0.5000 0.5000 ( 1692 PWs) bands (ev): 5.4108 5.4108 5.4719 5.4719 5.7972 5.7972 5.8097 5.8097 6.0445 6.0445 7.5935 7.5935 7.8040 7.8040 7.8052 7.8052 9.0050 9.0050 9.2276 9.2276 9.3523 9.3523 9.3544 9.3544 9.5898 9.5898 10.1471 10.1471 10.1729 10.1729 10.4687 10.4687 10.5407 10.5407 11.2129 11.2129 11.2831 11.2831 11.6507 11.6507 12.2493 12.2493 12.2595 12.2595 12.3628 12.3628 12.6869 12.6869 20.9729 20.9729 21.9318 21.9319 k = 0.0114 0.5000 0.5000 ( 1692 PWs) bands (ev): 5.4107 5.4107 5.4719 5.4719 5.7970 5.7970 5.8092 5.8092 6.0444 6.0444 7.5927 7.5927 7.8056 7.8056 7.8069 7.8069 9.0067 9.0067 9.2255 9.2255 9.3525 9.3525 9.3542 9.3542 9.5936 9.5936 10.1468 10.1468 10.1725 10.1725 10.4687 10.4687 10.5400 10.5400 11.2134 11.2134 11.2835 11.2835 11.6514 11.6514 12.2490 12.2490 12.2592 12.2592 12.3629 12.3629 12.6865 12.6865 20.9221 20.9221 21.8950 21.8957 k = 0.0227 0.5000 0.5000 ( 1692 PWs) bands (ev): 5.4105 5.4105 5.4719 5.4719 5.7964 5.7964 5.8075 5.8075 6.0439 6.0439 7.5904 7.5904 7.8107 7.8107 7.8117 7.8117 9.0117 9.0117 9.2192 9.2192 9.3531 9.3531 9.3536 9.3536 9.6048 9.6048 10.1462 10.1462 10.1714 10.1714 10.4689 10.4689 10.5380 10.5380 11.2149 11.2149 11.2847 11.2847 11.6535 11.6535 12.2482 12.2482 12.2584 12.2584 12.3633 12.3633 12.6853 12.6853 20.7927 20.7927 21.7788 21.7789 k = 0.0341 0.5000 0.5000 ( 1692 PWs) bands (ev): 5.4102 5.4102 5.4719 5.4719 5.7954 5.7954 5.8048 5.8048 6.0432 6.0432 7.5867 7.5867 7.8191 7.8191 7.8198 7.8198 9.0199 9.0199 9.2094 9.2094 9.3531 9.3531 9.3541 9.3541 9.6226 9.6226 10.1451 10.1451 10.1695 10.1695 10.4693 10.4693 10.5346 10.5346 11.2173 11.2173 11.2868 11.2868 11.6569 11.6569 12.2468 12.2468 12.2569 12.2569 12.3639 12.3639 12.6832 12.6832 20.6210 20.6210 21.6151 21.6154 k = 0.0455 0.5000 0.5000 ( 1692 PWs) bands (ev): 5.4097 5.4097 5.4718 5.4718 5.7941 5.7941 5.8011 5.8011 6.0423 6.0423 7.5816 7.5816 7.8308 7.8308 7.8310 7.8310 9.0313 9.0313 9.1966 9.1966 9.3528 9.3528 9.3555 9.3555 9.6457 9.6457 10.1436 10.1436 10.1670 10.1670 10.4699 10.4699 10.5302 10.5302 11.2208 11.2208 11.2896 11.2896 11.6616 11.6616 12.2448 12.2448 12.2550 12.2550 12.3647 12.3647 12.6804 12.6804 20.4295 20.4295 21.4285 21.4286 k = 0.0568 0.5000 0.5000 ( 1700 PWs) bands (ev): 5.4091 5.4091 5.4716 5.4716 5.7925 5.7925 5.7962 5.7962 6.0410 6.0410 7.5752 7.5752 7.8453 7.8453 7.8457 7.8457 9.0457 9.0457 9.1815 9.1815 9.3533 9.3533 9.3574 9.3574 9.6735 9.6735 10.1416 10.1416 10.1636 10.1636 10.4704 10.4704 10.5242 10.5242 11.2249 11.2249 11.2930 11.2930 11.6675 11.6675 12.2423 12.2423 12.2524 12.2524 12.3658 12.3658 12.6767 12.6767 20.2289 20.2289 21.2303 21.2305 k = 0.0682 0.5000 0.5000 ( 1700 PWs) bands (ev): 5.4083 5.4083 5.4712 5.4712 5.7905 5.7905 5.7908 5.7908 6.0396 6.0396 7.5675 7.5675 7.8625 7.8625 7.8637 7.8637 9.0633 9.0633 9.1650 9.1650 9.3546 9.3546 9.3599 9.3599 9.7050 9.7050 10.1394 10.1394 10.1597 10.1597 10.4712 10.4712 10.5173 10.5173 11.2301 11.2301 11.2973 11.2973 11.6747 11.6747 12.2391 12.2391 12.2492 12.2492 12.3672 12.3672 12.6722 12.6722 20.0246 20.0246 21.0269 21.0270 k = 0.0795 0.5000 0.5000 ( 1700 PWs) bands (ev): 5.4074 5.4074 5.4706 5.4706 5.7839 5.7839 5.7891 5.7891 6.0380 6.0380 7.5588 7.5588 7.8827 7.8827 7.8847 7.8847 9.0837 9.0837 9.1476 9.1476 9.3565 9.3565 9.3628 9.3628 9.7397 9.7397 10.1368 10.1368 10.1553 10.1553 10.4721 10.4721 10.5092 10.5092 11.2360 11.2360 11.3021 11.3021 11.6830 11.6830 12.2354 12.2354 12.2453 12.2453 12.3687 12.3687 12.6668 12.6668 19.8194 19.8194 20.8214 20.8215 k = 0.0909 0.5000 0.5000 ( 1700 PWs) bands (ev): 5.4063 5.4063 5.4697 5.4697 5.7764 5.7764 5.7876 5.7876 6.0362 6.0362 7.5490 7.5490 7.9056 7.9056 7.9085 7.9085 9.1069 9.1069 9.1296 9.1296 9.3592 9.3592 9.3664 9.3664 9.7771 9.7771 10.1340 10.1340 10.1503 10.1503 10.4731 10.4731 10.5003 10.5003 11.2427 11.2427 11.3076 11.3076 11.6923 11.6923 12.2310 12.2310 12.2408 12.2408 12.3704 12.3704 12.6604 12.6604 19.6148 19.6148 20.6156 20.6159 k = 0.1023 0.5000 0.5000 ( 1700 PWs) bands (ev): 5.4051 5.4051 5.4684 5.4684 5.7682 5.7682 5.7862 5.7862 6.0343 6.0343 7.5384 7.5384 7.9311 7.9311 7.9350 7.9350 9.1115 9.1115 9.1327 9.1327 9.3625 9.3625 9.3705 9.3705 9.8171 9.8171 10.1309 10.1309 10.1449 10.1449 10.4742 10.4742 10.4904 10.4904 11.2501 11.2501 11.3135 11.3135 11.7026 11.7026 12.2259 12.2259 12.2356 12.2356 12.3722 12.3722 12.6531 12.6531 19.4120 19.4120 20.4107 20.4114 k = 0.1136 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.4038 5.4038 5.4667 5.4667 5.7593 5.7593 5.7853 5.7853 6.0323 6.0323 7.5271 7.5271 7.9591 7.9591 7.9641 7.9641 9.0934 9.0934 9.1610 9.1610 9.3666 9.3666 9.3756 9.3756 9.8593 9.8593 10.1276 10.1276 10.1392 10.1392 10.4755 10.4755 10.4799 10.4799 11.2580 11.2580 11.3200 11.3200 11.7137 11.7137 12.2202 12.2202 12.2297 12.2297 12.3742 12.3742 12.6448 12.6448 19.2115 19.2115 20.2077 20.2088 k = 0.1250 0.5000 0.5000 ( 1688 PWs) bands (ev): 5.4025 5.4025 5.4645 5.4645 5.7499 5.7499 5.7849 5.7849 6.0302 6.0302 7.5153 7.5153 7.9894 7.9894 7.9957 7.9957 9.0755 9.0755 9.1914 9.1914 9.3715 9.3715 9.3815 9.3815 9.9035 9.9035 10.1242 10.1242 10.1332 10.1332 10.4687 10.4687 10.4770 10.4770 11.2665 11.2665 11.3268 11.3268 11.7257 11.7257 12.2137 12.2137 12.2231 12.2231 12.3762 12.3762 12.6357 12.6357 19.0138 19.0138 20.0069 20.0069 k = 0.1364 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.4008 5.4008 5.4615 5.4615 5.7399 5.7399 5.7849 5.7849 6.0279 6.0279 7.5029 7.5029 8.0218 8.0218 8.0293 8.0293 9.0578 9.0578 9.2237 9.2237 9.3768 9.3768 9.3884 9.3884 9.9496 9.9496 10.1206 10.1206 10.1270 10.1270 10.4568 10.4568 10.4784 10.4784 11.2753 11.2753 11.3339 11.3339 11.7382 11.7382 12.2064 12.2064 12.2156 12.2156 12.3781 12.3781 12.6252 12.6252 18.8193 18.8193 19.8092 19.8116 k = 0.1477 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.3991 5.3991 5.4580 5.4580 5.7295 5.7295 5.7857 5.7857 6.0256 6.0256 7.4902 7.4902 8.0561 8.0561 8.0650 8.0650 9.0407 9.0407 9.2575 9.2575 9.3829 9.3829 9.3967 9.3967 9.9974 9.9974 10.1170 10.1170 10.1208 10.1208 10.4445 10.4445 10.4801 10.4801 11.2845 11.2845 11.3412 11.3412 11.7514 11.7514 12.1984 12.1984 12.2072 12.2072 12.3800 12.3800 12.6137 12.6137 18.6283 18.6283 19.6158 19.6175 k = 0.1591 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.3971 5.3971 5.4538 5.4538 5.7189 5.7189 5.7873 5.7873 6.0233 6.0233 7.4772 7.4772 8.0921 8.0921 8.1024 8.1024 9.0241 9.0241 9.2923 9.2923 9.3898 9.3898 9.4072 9.4072 10.0465 10.0465 10.1134 10.1134 10.1150 10.1150 10.4319 10.4319 10.4818 10.4818 11.2940 11.2940 11.3488 11.3488 11.7651 11.7651 12.1895 12.1895 12.1980 12.1980 12.3818 12.3818 12.6009 12.6009 18.4410 18.4410 19.4233 19.4271 k = 0.1705 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.3951 5.3951 5.4489 5.4489 5.7080 5.7080 5.7896 5.7896 6.0210 6.0210 7.4640 7.4640 8.1296 8.1296 8.1414 8.1414 9.0080 9.0080 9.3265 9.3265 9.3975 9.3975 9.4212 9.4212 10.0918 10.0918 10.1100 10.1100 10.1147 10.1147 10.4190 10.4190 10.4837 10.4837 11.3037 11.3037 11.3565 11.3565 11.7791 11.7791 12.1797 12.1797 12.1878 12.1878 12.3834 12.3834 12.5868 12.5868 18.2577 18.2577 19.2361 19.2403 k = 0.1818 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.3929 5.3929 5.4434 5.4434 5.6970 5.6970 5.7926 5.7926 6.0186 6.0186 7.4509 7.4509 8.1684 8.1684 8.1818 8.1818 8.9925 8.9925 9.3580 9.3580 9.4060 9.4060 9.4407 9.4407 10.0982 10.0982 10.1066 10.1066 10.1551 10.1551 10.4059 10.4059 10.4857 10.4857 11.3135 11.3135 11.3643 11.3643 11.7934 11.7934 12.1689 12.1689 12.1765 12.1765 12.3849 12.3849 12.5714 12.5714 18.0786 18.0786 19.0522 19.0522 k = 0.1932 0.5000 0.5000 ( 1704 PWs) bands (ev): 5.3905 5.3905 5.4373 5.4373 5.6859 5.6859 5.7964 5.7964 6.0162 6.0162 7.4377 7.4377 8.2081 8.2081 8.2232 8.2232 8.9776 8.9776 9.3842 9.3842 9.4154 9.4154 9.4685 9.4685 10.0931 10.0931 10.1034 10.1034 10.2086 10.2086 10.3927 10.3927 10.4877 10.4877 11.3232 11.3232 11.3719 11.3719 11.8079 11.8079 12.1572 12.1572 12.1642 12.1642 12.3859 12.3859 12.5546 12.5546 17.9038 17.9038 18.8727 18.8727 k = 0.2045 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3880 5.3880 5.4306 5.4306 5.6748 5.6748 5.8009 5.8009 6.0138 6.0138 7.4247 7.4247 8.2486 8.2486 8.2654 8.2654 8.9631 8.9631 9.4051 9.4051 9.4259 9.4259 9.5045 9.5045 10.0876 10.0876 10.1005 10.1005 10.2643 10.2643 10.3796 10.3796 10.4900 10.4900 11.3329 11.3329 11.3795 11.3795 11.8225 11.8225 12.1444 12.1444 12.1508 12.1508 12.3867 12.3867 12.5361 12.5361 17.7336 17.7336 18.6976 18.6976 k = 0.2159 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3854 5.3854 5.4235 5.4235 5.6639 5.6639 5.8061 5.8061 6.0114 6.0114 7.4120 7.4120 8.2895 8.2895 8.3082 8.3082 8.9493 8.9493 9.4230 9.4230 9.4375 9.4375 9.5466 9.5466 10.0822 10.0822 10.0979 10.0979 10.3214 10.3214 10.3665 10.3665 10.4927 10.4927 11.3425 11.3425 11.3870 11.3870 11.8371 11.8371 12.1306 12.1306 12.1363 12.1363 12.3871 12.3871 12.5162 12.5162 17.5681 17.5681 18.5270 18.5270 k = 0.2273 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3827 5.3827 5.4160 5.4160 5.6532 5.6532 5.8119 5.8119 6.0090 6.0090 7.3994 7.3994 8.3306 8.3306 8.3513 8.3513 8.9362 8.9362 9.4399 9.4399 9.4503 9.4503 9.5929 9.5929 10.0773 10.0773 10.0957 10.0957 10.3536 10.3536 10.3793 10.3793 10.4960 10.4960 11.3519 11.3519 11.3943 11.3943 11.8516 11.8516 12.1158 12.1158 12.1206 12.1206 12.3870 12.3870 12.4946 12.4946 17.4075 17.4075 18.3610 18.3610 k = 0.2386 0.5000 0.5000 ( 1700 PWs) bands (ev): 5.3798 5.3798 5.4083 5.4083 5.6427 5.6427 5.8183 5.8183 6.0068 6.0068 7.3873 7.3873 8.3716 8.3716 8.3944 8.3944 8.9236 8.9236 9.4571 9.4571 9.4644 9.4644 9.6420 9.6420 10.0731 10.0731 10.0941 10.0941 10.3412 10.3412 10.4362 10.4362 10.5019 10.5019 11.3610 11.3610 11.4012 11.4012 11.8660 11.8660 12.0997 12.0997 12.1037 12.1037 12.3862 12.3862 12.4712 12.4712 17.2520 17.2520 18.2000 18.2000 k = 0.2500 0.5000 0.5000 ( 1692 PWs) bands (ev): 5.3768 5.3768 5.4003 5.4003 5.6325 5.6325 5.8252 5.8252 6.0044 6.0044 7.3755 7.3755 8.4121 8.4121 8.4370 8.4370 8.9116 8.9116 9.4753 9.4753 9.4801 9.4801 9.6935 9.6935 10.0695 10.0695 10.0929 10.0929 10.3289 10.3289 10.4795 10.4795 10.5228 10.5228 11.3697 11.3697 11.4078 11.4078 11.8801 11.8801 12.0827 12.0827 12.0856 12.0856 12.3850 12.3850 12.4460 12.4460 17.1019 17.1019 18.0441 18.0441 k = 0.2614 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3736 5.3736 5.3920 5.3920 5.6224 5.6224 5.8322 5.8322 6.0021 6.0021 7.3641 7.3641 8.4516 8.4516 8.4789 8.4789 8.9000 8.9000 9.4946 9.4946 9.4969 9.4969 9.7467 9.7467 10.0666 10.0666 10.0923 10.0923 10.3168 10.3168 10.4924 10.4924 10.5747 10.5747 11.3776 11.3776 11.4136 11.4136 11.8937 11.8937 12.0643 12.0643 12.0662 12.0662 12.3828 12.3828 12.4187 12.4187 16.9572 16.9572 17.8933 17.8933 k = 0.2727 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3704 5.3704 5.3837 5.3837 5.6129 5.6129 5.8396 5.8396 5.9998 5.9998 7.3532 7.3532 8.4902 8.4902 8.5198 8.5198 8.8892 8.8892 9.5153 9.5153 9.5154 9.5154 9.8016 9.8016 10.0648 10.0648 10.0925 10.0925 10.3055 10.3055 10.4970 10.4970 10.6363 10.6363 11.3851 11.3851 11.4191 11.4191 11.9069 11.9069 12.0449 12.0449 12.0458 12.0458 12.3796 12.3796 12.3896 12.3896 16.8182 16.8182 17.7481 17.7481 k = 0.2841 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3671 5.3671 5.3754 5.3754 5.6039 5.6039 5.8471 5.8471 5.9976 5.9976 7.3427 7.3427 8.5273 8.5273 8.5594 8.5594 8.8790 8.8790 9.5351 9.5351 9.5378 9.5378 9.8580 9.8580 10.0643 10.0643 10.0936 10.0936 10.2949 10.2949 10.5001 10.5001 10.7003 10.7003 11.3920 11.3920 11.4239 11.4239 11.9193 11.9193 12.0243 12.0243 12.0243 12.0243 12.3585 12.3585 12.3755 12.3755 16.6851 16.6851 17.6085 17.6085 k = 0.2955 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3638 5.3638 5.3672 5.3672 5.5952 5.5952 5.8547 5.8547 5.9955 5.9955 7.3328 7.3328 8.5626 8.5626 8.5973 8.5973 8.8693 8.8693 9.5563 9.5563 9.5618 9.5618 9.9156 9.9156 10.0652 10.0652 10.0958 10.0958 10.2851 10.2851 10.5027 10.5027 10.7656 10.7656 11.3979 11.3979 11.4278 11.4278 11.9303 11.9303 12.0023 12.0023 12.0027 12.0027 12.3253 12.3253 12.3702 12.3702 16.5579 16.5579 17.4748 17.4748 k = 0.3068 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3592 5.3592 5.3604 5.3604 5.5871 5.5871 5.8622 5.8622 5.9934 5.9934 7.3235 7.3235 8.5961 8.5961 8.6334 8.6334 8.8602 8.8602 9.5786 9.5786 9.5873 9.5873 9.9738 9.9738 10.0679 10.0679 10.0994 10.0994 10.2766 10.2766 10.5050 10.5050 10.8318 10.8318 11.4029 11.4029 11.4308 11.4308 11.9382 11.9382 11.9802 11.9802 11.9817 11.9817 12.2902 12.2902 12.3636 12.3636 16.4371 16.4371 17.3471 17.3471 k = 0.3182 0.5000 0.5000 ( 1716 PWs) bands (ev): 5.3513 5.3513 5.3569 5.3569 5.5793 5.5793 5.8697 5.8697 5.9914 5.9914 7.3146 7.3146 8.6272 8.6272 8.6671 8.6671 8.8516 8.8516 9.6018 9.6018 9.6139 9.6139 10.0315 10.0315 10.0725 10.0725 10.1052 10.1052 10.2696 10.2696 10.5072 10.5072 10.8986 10.8986 11.4068 11.4068 11.4325 11.4325 11.9353 11.9353 11.9569 11.9569 11.9699 11.9699 12.2530 12.2530 12.3556 12.3556 16.3225 16.3225 17.2256 17.2256 k = 0.3295 0.5000 0.5000 ( 1716 PWs) bands (ev): 5.3437 5.3437 5.3535 5.3535 5.5722 5.5722 5.8771 5.8771 5.9895 5.9895 7.3064 7.3064 8.6562 8.6562 8.6986 8.6986 8.8437 8.8437 9.6256 9.6256 9.6416 9.6416 10.0795 10.0795 10.0826 10.0826 10.1189 10.1189 10.2652 10.2652 10.5093 10.5093 10.9657 10.9657 11.4094 11.4094 11.4329 11.4329 11.9166 11.9166 11.9330 11.9330 11.9719 11.9719 12.2145 12.2145 12.3461 12.3461 16.2145 16.2145 17.1106 17.1106 k = 0.3409 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3365 5.3365 5.3501 5.3501 5.5656 5.5656 5.8843 5.8843 5.9877 5.9877 7.2988 7.2988 8.6827 8.6827 8.7276 8.7276 8.8365 8.8365 9.6496 9.6496 9.6697 9.6697 10.0893 10.0893 10.1063 10.1063 10.1588 10.1588 10.2662 10.2662 10.5113 10.5113 11.0330 11.0330 11.4107 11.4107 11.4317 11.4317 11.8924 11.8924 11.9088 11.9088 11.9770 11.9770 12.1752 12.1752 12.3350 12.3350 16.1131 16.1131 17.0021 17.0021 k = 0.3523 0.5000 0.5000 ( 1708 PWs) bands (ev): 5.3295 5.3295 5.3468 5.3468 5.5594 5.5594 5.8912 5.8912 5.9859 5.9859 7.2917 7.2917 8.7068 8.7068 8.7541 8.7541 8.8297 8.8297 9.6729 9.6729 9.6976 9.6976 10.1022 10.1022 10.1168 10.1168 10.2021 10.2021 10.2810 10.2810 10.5132 10.5132 11.0999 11.0999 11.4105 11.4105 11.4285 11.4285 11.8669 11.8669 11.8846 11.8846 11.9798 11.9798 12.1364 12.1364 12.3220 12.3220 16.0185 16.0185 16.9003 16.9003 k = 0.3636 0.5000 0.5000 ( 1700 PWs) bands (ev): 5.3230 5.3230 5.3436 5.3436 5.5538 5.5538 5.8979 5.8979 5.9843 5.9843 7.2853 7.2853 8.7286 8.7286 8.7779 8.7779 8.8237 8.8237 9.6953 9.6953 9.7247 9.7247 10.1186 10.1186 10.1257 10.1257 10.2260 10.2260 10.3214 10.3214 10.5150 10.5150 11.1660 11.1660 11.4089 11.4089 11.4230 11.4230 11.8413 11.8413 11.8609 11.8609 11.9762 11.9762 12.1017 12.1017 12.3071 12.3071 15.9308 15.9308 16.8055 16.8055 k = 0.3750 0.5000 0.5000 ( 1700 PWs) bands (ev): 5.3168 5.3168 5.3405 5.3405 5.5487 5.5487 5.9041 5.9041 5.9828 5.9828 7.2793 7.2793 8.7479 8.7479 8.7988 8.7988 8.8184 8.8184 9.7157 9.7157 9.7502 9.7502 10.1333 10.1333 10.1386 10.1386 10.2393 10.2393 10.3782 10.3782 10.5167 10.5167 11.2301 11.2301 11.4064 11.4064 11.4148 11.4148 11.8165 11.8165 11.8381 11.8381 11.9602 11.9602 12.0768 12.0768 12.2900 12.2900 15.8501 15.8501 16.7177 16.7177 k = 0.3864 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.3111 5.3111 5.3375 5.3375 5.5440 5.5440 5.9101 5.9101 5.9813 5.9813 7.2739 7.2739 8.7650 8.7650 8.8100 8.8100 8.8209 8.8209 9.7341 9.7341 9.7736 9.7736 10.1392 10.1392 10.1621 10.1621 10.2534 10.2534 10.4404 10.4404 10.5183 10.5183 11.2890 11.2890 11.4038 11.4038 11.4062 11.4062 11.7932 11.7932 11.8167 11.8167 11.9286 11.9286 12.0651 12.0651 12.2708 12.2708 15.7763 15.7763 16.6371 16.6371 k = 0.3977 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.3059 5.3059 5.3347 5.3347 5.5399 5.5399 5.9154 5.9154 5.9800 5.9800 7.2691 7.2691 8.7800 8.7800 8.8067 8.8067 8.8362 8.8362 9.7500 9.7500 9.7942 9.7942 10.1426 10.1426 10.1887 10.1887 10.2721 10.2721 10.5044 10.5044 10.5198 10.5198 11.3308 11.3308 11.3896 11.3896 11.4192 11.4192 11.7718 11.7718 11.7973 11.7973 11.8859 11.8859 12.0623 12.0623 12.2490 12.2490 15.7096 15.7096 16.5638 16.5638 k = 0.4091 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.3011 5.3011 5.3321 5.3321 5.5362 5.5362 5.9203 5.9203 5.9789 5.9789 7.2648 7.2648 8.7930 8.7930 8.8026 8.8026 8.8505 8.8505 9.7634 9.7634 9.8120 9.8120 10.1441 10.1441 10.2178 10.2178 10.2955 10.2955 10.5212 10.5212 10.5689 10.5689 11.3413 11.3413 11.3723 11.3723 11.4597 11.4597 11.7528 11.7528 11.7804 11.7804 11.8372 11.8372 12.0636 12.0636 12.2248 12.2248 15.6500 15.6500 16.4980 16.4980 k = 0.4205 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.2968 5.2968 5.3297 5.3297 5.5330 5.5330 5.9247 5.9247 5.9778 5.9778 7.2611 7.2611 8.7989 8.7989 8.8041 8.8041 8.8628 8.8628 9.7745 9.7745 9.8269 9.8269 10.1440 10.1440 10.2484 10.2484 10.3227 10.3227 10.5226 10.5226 10.6329 10.6329 11.3336 11.3336 11.3524 11.3524 11.5142 11.5142 11.7363 11.7363 11.7666 11.7666 11.7859 11.7859 12.0665 12.0665 12.1979 12.1979 15.5974 15.5974 16.4397 16.4397 k = 0.4318 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.2931 5.2931 5.3276 5.3276 5.5302 5.5302 5.9285 5.9285 5.9769 5.9769 7.2579 7.2579 8.7957 8.7957 8.8134 8.8134 8.8732 8.8732 9.7834 9.7834 9.8391 9.8391 10.1431 10.1431 10.2792 10.2792 10.3521 10.3521 10.5239 10.5239 10.6955 10.6955 11.3196 11.3196 11.3305 11.3305 11.5703 11.5703 11.7208 11.7208 11.7354 11.7354 11.7568 11.7568 12.0699 12.0699 12.1683 12.1683 15.5520 15.5520 16.3889 16.3889 k = 0.4432 0.5000 0.5000 ( 1696 PWs) bands (ev): 5.2899 5.2899 5.3258 5.3258 5.5279 5.5279 5.9318 5.9318 5.9761 5.9761 7.2552 7.2552 8.7930 8.7930 8.8211 8.8211 8.8819 8.8819 9.7904 9.7904 9.8489 9.8489 10.1418 10.1418 10.3091 10.3091 10.3819 10.3819 10.5251 10.5251 10.7557 10.7557 11.3032 11.3032 11.3078 11.3078 11.6227 11.6227 11.6795 11.6795 11.7139 11.7139 11.7531 11.7531 12.0731 12.0731 12.1359 12.1359 15.5135 15.5135 16.3459 16.3459 k = 0.4545 0.5000 0.5000 ( 1704 PWs) bands (ev): 5.2872 5.2872 5.3242 5.3242 5.5259 5.5259 5.9345 5.9345 5.9754 5.9754 7.2529 7.2529 8.7907 8.7907 8.8271 8.8271 8.8887 8.8887 9.7958 9.7958 9.8564 9.8564 10.1404 10.1404 10.3363 10.3363 10.4102 10.4102 10.5262 10.5262 10.8117 10.8117 11.2857 11.2857 11.2866 11.2866 11.6303 11.6303 11.6640 11.6640 11.7051 11.7051 11.7614 11.7614 12.0759 12.0759 12.1009 12.1009 15.4821 15.4821 16.3106 16.3106 k = 0.4659 0.5000 0.5000 ( 1704 PWs) bands (ev): 5.2852 5.2852 5.3231 5.3231 5.5244 5.5244 5.9366 5.9366 5.9749 5.9749 7.2512 7.2512 8.7889 8.7889 8.8318 8.8318 8.8940 8.8940 9.7997 9.7997 9.8620 9.8620 10.1392 10.1392 10.3595 10.3595 10.4351 10.4351 10.5272 10.5272 10.8614 10.8614 11.2658 11.2658 11.2715 11.2715 11.5855 11.5855 11.6858 11.6858 11.6989 11.6989 11.7893 11.7893 12.0633 12.0633 12.0782 12.0782 15.4577 15.4577 16.2832 16.2832 k = 0.4773 0.5000 0.5000 ( 1720 PWs) bands (ev): 5.2835 5.2835 5.3220 5.3220 5.5232 5.5232 5.9381 5.9381 5.9744 5.9744 7.2497 7.2497 8.7875 8.7875 8.8350 8.8350 8.8976 8.8976 9.8023 9.8023 9.8657 9.8657 10.1380 10.1380 10.3772 10.3772 10.4546 10.4546 10.5281 10.5281 10.9016 10.9016 11.2499 11.2499 11.2593 11.2593 11.5487 11.5487 11.6928 11.6928 11.6946 11.6946 11.8310 11.8310 12.0236 12.0236 12.0798 12.0798 15.4402 15.4402 16.2635 16.2635 k = 0.4886 0.5000 0.5000 ( 1736 PWs) bands (ev): 5.2825 5.2825 5.3214 5.3214 5.5224 5.5224 5.9388 5.9388 5.9741 5.9741 7.2488 7.2488 8.7865 8.7865 8.8368 8.8368 8.8997 8.8997 9.8037 9.8037 9.8677 9.8677 10.1373 10.1373 10.3883 10.3883 10.4670 10.4670 10.5286 10.5286 10.9283 10.9283 11.2396 11.2396 11.2514 11.2514 11.5239 11.5239 11.6921 11.6921 11.6944 11.6944 11.8746 11.8746 11.9835 11.9835 12.0809 12.0809 15.4298 15.4298 16.2516 16.2516 k = 0.5000 0.5000 0.5000 ( 1736 PWs) bands (ev): 5.2822 5.2822 5.3212 5.3212 5.5222 5.5222 5.9391 5.9391 5.9740 5.9740 7.2485 7.2485 8.7863 8.7863 8.8375 8.8375 8.9004 8.9004 9.8042 9.8042 9.8685 9.8685 10.1371 10.1371 10.3921 10.3921 10.4714 10.4714 10.5288 10.5288 10.9378 10.9378 11.2361 11.2361 11.2487 11.2487 11.5151 11.5151 11.6913 11.6913 11.6947 11.6947 11.9017 11.9017 11.9580 11.9580 12.0812 12.0812 15.4263 15.4263 16.2477 16.2477 k = 0.5000 0.5000 0.5000 ( 1736 PWs) bands (ev): 5.2822 5.2822 5.3212 5.3212 5.5222 5.5222 5.9391 5.9391 5.9740 5.9740 7.2485 7.2485 8.7863 8.7863 8.8375 8.8375 8.9004 8.9004 9.8042 9.8042 9.8685 9.8685 10.1371 10.1371 10.3921 10.3921 10.4714 10.4714 10.5288 10.5288 10.9378 10.9378 11.2361 11.2361 11.2487 11.2487 11.5151 11.5151 11.6913 11.6913 11.6947 11.6947 11.9017 11.9017 11.9580 11.9580 12.0812 12.0812 15.4263 15.4263 16.2477 16.2477 k = 0.4919 0.4919 0.5000 ( 1736 PWs) bands (ev): 5.2824 5.2824 5.3214 5.3214 5.5225 5.5225 5.9390 5.9390 5.9740 5.9740 7.2487 7.2487 8.7862 8.7862 8.8371 8.8371 8.9000 8.9000 9.8039 9.8039 9.8681 9.8681 10.1370 10.1370 10.3893 10.3893 10.4679 10.4679 10.5274 10.5274 10.9306 10.9306 11.2359 11.2359 11.2486 11.2486 11.5195 11.5195 11.6923 11.6923 11.6975 11.6975 11.8868 11.8868 11.9732 11.9732 12.0831 12.0831 15.4302 15.4302 16.2518 16.2518 k = 0.4839 0.4839 0.5000 ( 1724 PWs) bands (ev): 5.2832 5.2832 5.3221 5.3221 5.5233 5.5233 5.9386 5.9386 5.9739 5.9739 7.2494 7.2494 8.7859 8.7859 8.8363 8.8363 8.8988 8.8988 9.8030 9.8030 9.8669 9.8669 10.1367 10.1367 10.3808 10.3808 10.4576 10.4576 10.5237 10.5237 10.9103 10.9103 11.2319 11.2319 11.2521 11.2521 11.5309 11.5309 11.6919 11.6919 11.7094 11.7094 11.8591 11.8591 12.0023 12.0023 12.0891 12.0891 15.4419 15.4419 16.2636 16.2636 k = 0.4758 0.4758 0.5000 ( 1712 PWs) bands (ev): 5.2844 5.2844 5.3232 5.3232 5.5246 5.5246 5.9379 5.9379 5.9737 5.9737 7.2502 7.2502 8.7849 8.7849 8.8350 8.8350 8.8970 8.8970 9.8014 9.8014 9.8649 9.8649 10.1360 10.1360 10.3664 10.3664 10.4405 10.4405 10.5184 10.5184 10.8803 10.8803 11.2220 11.2220 11.2611 11.2611 11.5450 11.5450 11.6888 11.6888 11.7289 11.7289 11.8316 11.8316 12.0339 12.0339 12.1009 12.1009 15.4606 15.4606 16.2824 16.2824 k = 0.4677 0.4677 0.5000 ( 1704 PWs) bands (ev): 5.2861 5.2861 5.3246 5.3246 5.5263 5.5263 5.9368 5.9368 5.9734 5.9734 7.2513 7.2513 8.7826 8.7826 8.8336 8.8336 8.8946 8.8946 9.7991 9.7991 9.8620 9.8620 10.1348 10.1348 10.3456 10.3456 10.4174 10.4174 10.5121 10.5121 10.8443 10.8443 11.2078 11.2078 11.2738 11.2738 11.5579 11.5579 11.6803 11.6803 11.7465 11.7465 11.8186 11.8186 12.0604 12.0604 12.1246 12.1246 15.4855 15.4855 16.3066 16.3066 k = 0.4597 0.4597 0.5000 ( 1696 PWs) bands (ev): 5.2881 5.2881 5.3264 5.3264 5.5284 5.5284 5.9354 5.9354 5.9731 5.9731 7.2526 7.2526 8.7782 8.7782 8.8321 8.8321 8.8921 8.8921 9.7960 9.7960 9.8583 9.8583 10.1329 10.1329 10.3182 10.3182 10.3900 10.3900 10.5050 10.5050 10.8056 10.8056 11.1902 11.1902 11.2887 11.2887 11.5681 11.5681 11.6614 11.6614 11.7442 11.7442 11.8425 11.8425 12.0765 12.0765 12.1650 12.1650 15.5151 15.5151 16.3323 16.3323 k = 0.4516 0.4516 0.5000 ( 1696 PWs) bands (ev): 5.2905 5.2905 5.3285 5.3285 5.5309 5.5309 5.9336 5.9336 5.9726 5.9726 7.2539 7.2539 8.7712 8.7712 8.8303 8.8303 8.8900 8.8900 9.7920 9.7920 9.8536 9.8536 10.1295 10.1295 10.2845 10.2845 10.3602 10.3602 10.4967 10.4967 10.7669 10.7669 11.1695 11.1695 11.3048 11.3048 11.5753 11.5753 11.6305 11.6305 11.7357 11.7357 11.8903 11.8903 12.0861 12.0861 12.2177 12.2177 15.5481 15.5481 16.3541 16.3541 k = 0.4435 0.4435 0.5000 ( 1692 PWs) bands (ev): 5.2934 5.2934 5.3311 5.3311 5.5339 5.5339 5.9315 5.9315 5.9721 5.9721 7.2553 7.2553 8.7612 8.7612 8.8276 8.8276 8.8894 8.8894 9.7870 9.7870 9.8479 9.8479 10.1235 10.1235 10.2462 10.2462 10.3296 10.3296 10.4871 10.4871 10.7300 10.7300 11.1454 11.1454 11.3214 11.3214 11.5789 11.5789 11.5933 11.5933 11.7298 11.7298 11.9474 11.9474 12.0938 12.0938 12.2786 12.2786 15.5828 15.5828 16.3713 16.3713 k = 0.4355 0.4355 0.5000 ( 1692 PWs) bands (ev): 5.2965 5.2965 5.3339 5.3339 5.5373 5.5373 5.9289 5.9289 5.9715 5.9715 7.2566 7.2566 8.7481 8.7481 8.8228 8.8228 8.8910 8.8910 9.7811 9.7811 9.8413 9.8413 10.1121 10.1121 10.2071 10.2071 10.2992 10.2992 10.4756 10.4756 10.6962 10.6962 11.1174 11.1174 11.3377 11.3377 11.5488 11.5488 11.5861 11.5861 11.7259 11.7259 12.0065 12.0065 12.1037 12.1037 12.3458 12.3458 15.6179 15.6179 16.3856 16.3856 k = 0.4274 0.4274 0.5000 ( 1692 PWs) bands (ev): 5.2999 5.2999 5.3370 5.3370 5.5411 5.5411 5.9260 5.9260 5.9708 5.9708 7.2576 7.2576 8.7319 8.7319 8.8151 8.8151 8.8955 8.8955 9.7741 9.7741 9.8336 9.8336 10.0899 10.0899 10.1737 10.1737 10.2700 10.2700 10.4619 10.4619 10.6663 10.6663 11.0849 11.0849 11.3531 11.3531 11.5090 11.5090 11.5889 11.5889 11.7227 11.7227 12.0536 12.0536 12.1286 12.1286 12.4182 12.4182 15.6520 15.6520 16.3983 16.3983 k = 0.4194 0.4194 0.5000 ( 1692 PWs) bands (ev): 5.3036 5.3036 5.3405 5.3405 5.5453 5.5453 5.9227 5.9227 5.9701 5.9701 7.2582 7.2582 8.7125 8.7125 8.8044 8.8044 8.9027 8.9027 9.7660 9.7660 9.8246 9.8246 10.0540 10.0540 10.1497 10.1497 10.2436 10.2436 10.4459 10.4459 10.6406 10.6406 11.0473 11.0473 11.3671 11.3671 11.4728 11.4728 11.5913 11.5913 11.7197 11.7197 12.0728 12.0728 12.1840 12.1840 12.4953 12.4953 15.6846 15.6846 16.4103 16.4103 k = 0.4113 0.4113 0.5000 ( 1692 PWs) bands (ev): 5.3076 5.3076 5.3442 5.3442 5.5499 5.5499 5.9190 5.9190 5.9693 5.9693 7.2583 7.2583 8.6901 8.6901 8.7909 8.7909 8.9122 8.9122 9.7567 9.7567 9.8142 9.8142 10.0097 10.0097 10.1299 10.1299 10.2218 10.2218 10.4276 10.4276 10.6192 10.6192 11.0046 11.0046 11.3789 11.3789 11.4424 11.4424 11.5933 11.5933 11.7168 11.7168 12.0778 12.0778 12.2558 12.2558 12.5764 12.5764 15.7151 15.7151 16.4220 16.4220 k = 0.4032 0.4032 0.5000 ( 1700 PWs) bands (ev): 5.3117 5.3117 5.3482 5.3482 5.5548 5.5548 5.9149 5.9149 5.9684 5.9684 7.2575 7.2575 8.6643 8.6643 8.7747 8.7747 8.9234 8.9234 9.7460 9.7460 9.8019 9.8019 9.9633 9.9633 10.1088 10.1088 10.2053 10.2053 10.4072 10.4072 10.6015 10.6015 10.9574 10.9574 11.3862 11.3862 11.4203 11.4203 11.5950 11.5950 11.7137 11.7137 12.0784 12.0784 12.3339 12.3339 12.6612 12.6612 15.7435 15.7435 16.4339 16.4339 k = 0.3952 0.3952 0.5000 ( 1700 PWs) bands (ev): 5.3161 5.3161 5.3524 5.3524 5.5601 5.5601 5.9104 5.9104 5.9675 5.9675 7.2557 7.2557 8.6354 8.6354 8.7563 8.7563 8.9364 8.9364 9.7340 9.7340 9.7878 9.7878 9.9184 9.9184 10.0853 10.0853 10.1940 10.1940 10.3856 10.3856 10.5869 10.5869 10.9068 10.9068 11.3821 11.3821 11.4134 11.4134 11.5963 11.5963 11.7105 11.7105 12.0769 12.0769 12.4160 12.4160 12.7494 12.7494 15.7699 15.7699 16.4462 16.4462 k = 0.3871 0.3871 0.5000 ( 1708 PWs) bands (ev): 5.3206 5.3206 5.3569 5.3569 5.5657 5.5657 5.9055 5.9055 5.9665 5.9665 7.2525 7.2525 8.6030 8.6030 8.7357 8.7357 8.9506 8.9506 9.7204 9.7204 9.7712 9.7712 9.8772 9.8772 10.0603 10.0603 10.1857 10.1857 10.3631 10.3631 10.5745 10.5745 10.8543 10.8543 11.3703 11.3703 11.4174 11.4174 11.5973 11.5973 11.7073 11.7073 12.0742 12.0742 12.5011 12.5011 12.8406 12.8406 15.7947 15.7947 16.4590 16.4590 k = 0.3790 0.3790 0.5000 ( 1708 PWs) bands (ev): 5.3253 5.3253 5.3615 5.3615 5.5716 5.5716 5.9003 5.9003 5.9654 5.9654 7.2477 7.2477 8.5673 8.5673 8.7136 8.7136 8.9660 8.9660 9.7054 9.7054 9.7521 9.7521 9.8408 9.8408 10.0352 10.0352 10.1790 10.1790 10.3406 10.3406 10.5638 10.5638 10.8017 10.8017 11.3595 11.3595 11.4229 11.4229 11.5980 11.5980 11.7041 11.7041 12.0706 12.0706 12.5891 12.5891 12.9347 12.9347 15.8182 15.8182 16.4726 16.4726 k = 0.3710 0.3710 0.5000 ( 1714 PWs) bands (ev): 5.3300 5.3300 5.3663 5.3663 5.5778 5.5778 5.8946 5.8946 5.9640 5.9640 7.2410 7.2410 8.5283 8.5283 8.6903 8.6903 8.9824 8.9824 9.6889 9.6889 9.7307 9.7307 9.8099 9.8099 10.0108 10.0108 10.1723 10.1723 10.3181 10.3181 10.5541 10.5541 10.7506 10.7506 11.3513 11.3513 11.4277 11.4277 11.5983 11.5983 11.7008 11.7008 12.0663 12.0663 12.6796 12.6796 13.0315 13.0315 15.8407 15.8407 16.4869 16.4869 k = 0.3629 0.3629 0.5000 ( 1710 PWs) bands (ev): 5.3349 5.3349 5.3713 5.3713 5.5843 5.5843 5.8887 5.8887 5.9626 5.9626 7.2319 7.2319 8.4858 8.4858 8.6666 8.6666 8.9996 8.9996 9.6712 9.6712 9.7078 9.7078 9.7841 9.7841 9.9875 9.9875 10.1650 10.1650 10.2962 10.2962 10.5449 10.5449 10.7028 10.7028 11.3456 11.3456 11.4315 11.4315 11.5982 11.5982 11.6977 11.6977 12.0616 12.0616 12.7726 12.7726 13.1309 13.1309 15.8626 15.8626 16.5022 16.5022 k = 0.3548 0.3548 0.5000 ( 1710 PWs) bands (ev): 5.3397 5.3397 5.3762 5.3762 5.5909 5.5909 5.8825 5.8825 5.9610 5.9610 7.2202 7.2202 8.4400 8.4400 8.6431 8.6431 9.0175 9.0175 9.6527 9.6527 9.6845 9.6845 9.7623 9.7623 9.9652 9.9652 10.1561 10.1561 10.2747 10.2747 10.5356 10.5356 10.6597 10.6597 11.3422 11.3422 11.4343 11.4343 11.5976 11.5976 11.6946 11.6946 12.0563 12.0563 12.8680 12.8680 13.2327 13.2327 15.8843 15.8843 16.5185 16.5185 k = 0.3468 0.3468 0.5000 ( 1710 PWs) bands (ev): 5.3446 5.3446 5.3813 5.3813 5.5977 5.5977 5.8759 5.8759 5.9591 5.9591 7.2056 7.2056 8.3908 8.3908 8.6206 8.6206 9.0361 9.0361 9.6339 9.6339 9.6617 9.6617 9.7434 9.7434 9.9437 9.9437 10.1454 10.1454 10.2536 10.2536 10.5256 10.5256 10.6229 10.6229 11.3406 11.3406 11.4362 11.4362 11.5966 11.5966 11.6918 11.6918 12.0508 12.0508 12.9656 12.9656 13.3368 13.3368 15.9059 15.9059 16.5359 16.5359 k = 0.3387 0.3387 0.5000 ( 1706 PWs) bands (ev): 5.3496 5.3496 5.3863 5.3863 5.6047 5.6047 5.8691 5.8691 5.9570 5.9570 7.1879 7.1879 8.3384 8.3384 8.5999 8.5999 9.0552 9.0552 9.6146 9.6146 9.6408 9.6408 9.7266 9.7266 9.9226 9.9226 10.1327 10.1327 10.2331 10.2331 10.5145 10.5145 10.5934 10.5934 11.3408 11.3408 11.4372 11.4372 11.5950 11.5950 11.6892 11.6892 12.0449 12.0449 13.0655 13.0655 13.4432 13.4432 15.9277 15.9277 16.5544 16.5544 k = 0.3306 0.3306 0.5000 ( 1706 PWs) bands (ev): 5.3544 5.3544 5.3913 5.3913 5.6118 5.6118 5.8619 5.8619 5.9545 5.9545 7.1669 7.1669 8.2830 8.2830 8.5817 8.5817 9.0746 9.0746 9.5944 9.5944 9.6229 9.6229 9.7113 9.7113 9.9015 9.9015 10.1179 10.1179 10.2131 10.2131 10.5023 10.5023 10.5716 10.5716 11.3424 11.3424 11.4373 11.4373 11.5929 11.5929 11.6869 11.6869 12.0388 12.0388 13.1676 13.1676 13.5516 13.5516 15.9500 15.9500 16.5742 16.5742 k = 0.3226 0.3226 0.5000 ( 1706 PWs) bands (ev): 5.3592 5.3592 5.3962 5.3962 5.6189 5.6189 5.8544 5.8544 5.9517 5.9517 7.1425 7.1425 8.2248 8.2248 8.5667 8.5667 9.0943 9.0943 9.5729 9.5729 9.6087 9.6087 9.6971 9.6971 9.8798 9.8798 10.1015 10.1015 10.1938 10.1938 10.4899 10.4899 10.5561 10.5561 11.3453 11.3453 11.4368 11.4368 11.5904 11.5904 11.6850 11.6850 12.0325 12.0325 13.2719 13.2719 13.6621 13.6621 15.9729 15.9729 16.5953 16.5953 k = 0.3145 0.3145 0.5000 ( 1710 PWs) bands (ev): 5.3639 5.3639 5.4010 5.4010 5.6260 5.6260 5.8465 5.8465 5.9485 5.9485 7.1148 7.1148 8.1640 8.1640 8.5553 8.5553 9.1141 9.1141 9.5508 9.5508 9.5977 9.5977 9.6837 9.6837 9.8573 9.8573 10.0838 10.0838 10.1757 10.1757 10.4786 10.4786 10.5450 10.5450 11.3494 11.3494 11.4356 11.4356 11.5873 11.5873 11.6835 11.6835 12.0261 12.0261 13.3784 13.3784 13.7745 13.7745 15.9966 15.9966 16.6177 16.6177 k = 0.3065 0.3065 0.5000 ( 1710 PWs) bands (ev): 5.3684 5.3684 5.4057 5.4057 5.6331 5.6331 5.8384 5.8384 5.9449 5.9449 7.0842 7.0842 8.1010 8.1010 8.5479 8.5479 9.1340 9.1340 9.5287 9.5287 9.5894 9.5894 9.6711 9.6711 9.8340 9.8340 10.0658 10.0658 10.1587 10.1587 10.4690 10.4690 10.5367 10.5367 11.3548 11.3548 11.4340 11.4340 11.5838 11.5838 11.6824 11.6824 12.0196 12.0196 13.4869 13.4869 13.8890 13.8890 16.0213 16.0213 16.6416 16.6416 k = 0.2984 0.2984 0.5000 ( 1710 PWs) bands (ev): 5.3728 5.3728 5.4103 5.4103 5.6401 5.6401 5.8300 5.8300 5.9407 5.9407 7.0508 7.0508 8.0359 8.0359 8.5447 8.5447 9.1537 9.1537 9.5070 9.5070 9.5832 9.5832 9.6591 9.6591 9.8098 9.8098 10.0481 10.0481 10.1431 10.1431 10.4613 10.4613 10.5301 10.5301 11.3613 11.3613 11.4319 11.4319 11.5800 11.5800 11.6819 11.6819 12.0131 12.0131 13.5974 13.5974 14.0053 14.0053 16.0472 16.0472 16.6671 16.6671 k = 0.2903 0.2903 0.5000 ( 1706 PWs) bands (ev): 5.3770 5.3770 5.4147 5.4147 5.6470 5.6470 5.8214 5.8214 5.9362 5.9362 7.0152 7.0152 7.9691 7.9691 8.5457 8.5457 9.1731 9.1731 9.4861 9.4861 9.5788 9.5788 9.6476 9.6476 9.7851 9.7851 10.0311 10.0311 10.1290 10.1290 10.4552 10.4552 10.5247 10.5247 11.3688 11.3688 11.4294 11.4294 11.5760 11.5760 11.6819 11.6819 12.0067 12.0067 13.7101 13.7101 14.1234 14.1234 16.0743 16.0743 16.6941 16.6941 k = 0.2823 0.2823 0.5000 ( 1710 PWs) bands (ev): 5.3808 5.3808 5.4189 5.4189 5.6537 5.6537 5.8124 5.8124 5.9309 5.9309 6.9778 6.9778 7.9009 7.9009 8.5509 8.5509 9.1918 9.1918 9.4661 9.4661 9.5756 9.5756 9.6364 9.6364 9.7604 9.7604 10.0151 10.0151 10.1162 10.1162 10.4499 10.4499 10.5200 10.5200 11.3772 11.3772 11.4266 11.4266 11.5717 11.5717 11.6824 11.6824 12.0004 12.0004 13.8247 13.8247 14.2434 14.2434 16.1028 16.1028 16.7228 16.7228 k = 0.2742 0.2742 0.5000 ( 1710 PWs) bands (ev): 5.3843 5.3843 5.4230 5.4230 5.6602 5.6602 5.8032 5.8032 5.9252 5.9252 6.9393 6.9393 7.8316 7.8316 8.5600 8.5600 9.2097 9.2097 9.4473 9.4473 9.5732 9.5732 9.6254 9.6254 9.7364 9.7364 10.0005 10.0005 10.1049 10.1049 10.4451 10.4451 10.5157 10.5157 11.3866 11.3866 11.4234 11.4234 11.5675 11.5675 11.6836 11.6836 11.9942 11.9942 13.9413 13.9413 14.3651 14.3651 16.1328 16.1328 16.7533 16.7533 k = 0.2661 0.2661 0.5000 ( 1706 PWs) bands (ev): 5.3873 5.3873 5.4269 5.4269 5.6662 5.6662 5.7938 5.7938 5.9189 5.9189 6.9001 6.9001 7.7615 7.7615 8.5728 8.5728 9.2261 9.2261 9.4300 9.4300 9.5714 9.5714 9.6146 9.6146 9.7139 9.7139 9.9871 9.9871 10.0951 10.0951 10.4406 10.4406 10.5117 10.5117 11.3967 11.3967 11.4200 11.4200 11.5634 11.5634 11.6855 11.6855 11.9883 11.9883 14.0598 14.0598 14.4885 14.4885 16.1645 16.1645 16.7857 16.7857 k = 0.2581 0.2581 0.5000 ( 1706 PWs) bands (ev): 5.3898 5.3898 5.4307 5.4307 5.6717 5.6717 5.7843 5.7843 5.9120 5.9120 6.8609 6.8609 7.6909 7.6909 8.5890 8.5890 9.2405 9.2405 9.4147 9.4147 9.5695 9.5695 9.6035 9.6035 9.6939 9.6939 9.9748 9.9748 10.0866 10.0866 10.4359 10.4359 10.5076 10.5076 11.4072 11.4072 11.4164 11.4164 11.5597 11.5597 11.6880 11.6880 11.9827 11.9827 14.1803 14.1803 14.6136 14.6136 16.1980 16.1980 16.8200 16.8200 k = 0.2500 0.2500 0.5000 ( 1710 PWs) bands (ev): 5.3916 5.3916 5.4343 5.4343 5.6764 5.6764 5.7748 5.7748 5.9046 5.9046 6.8222 6.8222 7.6202 7.6202 8.6083 8.6083 9.2516 9.2516 9.4021 9.4021 9.5670 9.5670 9.5919 9.5919 9.6773 9.6773 9.9635 9.9635 10.0796 10.0796 10.4311 10.4311 10.5033 10.5033 11.4123 11.4123 11.4178 11.4178 11.5567 11.5567 11.6912 11.6912 11.9776 11.9776 14.3026 14.3026 14.7404 14.7404 16.2334 16.2334 16.8562 16.8562 k = 0.2419 0.2419 0.5000 ( 1706 PWs) bands (ev): 5.3926 5.3926 5.4378 5.4378 5.6799 5.6799 5.7659 5.7659 5.8967 5.8967 6.7846 6.7846 7.5494 7.5494 8.6303 8.6303 9.2584 9.2584 9.3937 9.3937 9.5634 9.5634 9.5803 9.5803 9.6650 9.6650 9.9532 9.9532 10.0741 10.0741 10.4259 10.4259 10.4986 10.4986 11.4082 11.4082 11.4279 11.4279 11.5549 11.5549 11.6951 11.6951 11.9729 11.9729 14.4269 14.4269 14.8688 14.8688 16.2708 16.2708 16.8946 16.8946 k = 0.2339 0.2339 0.5000 ( 1702 PWs) bands (ev): 5.3927 5.3927 5.4412 5.4412 5.6817 5.6817 5.7579 5.7579 5.8886 5.8886 6.7485 6.7485 7.4789 7.4789 8.6548 8.6548 9.2594 9.2594 9.3901 9.3901 9.5576 9.5576 9.5696 9.5696 9.6569 9.6569 9.9438 9.9438 10.0700 10.0700 10.4205 10.4205 10.4933 10.4933 11.4038 11.4038 11.4369 11.4369 11.5548 11.5548 11.6996 11.6996 11.9690 11.9690 14.5530 14.5530 14.9988 14.9988 16.3103 16.3103 16.9351 16.9351 k = 0.2258 0.2258 0.5000 ( 1704 PWs) bands (ev): 5.3918 5.3918 5.4445 5.4445 5.6810 5.6810 5.7517 5.7517 5.8801 5.8801 6.7142 6.7142 7.4090 7.4090 8.6814 8.6814 9.2546 9.2546 9.3911 9.3911 9.5485 9.5485 9.5614 9.5614 9.6526 9.6526 9.9351 9.9351 10.0673 10.0673 10.4146 10.4146 10.4872 10.4872 11.3991 11.3991 11.4440 11.4440 11.5570 11.5570 11.7047 11.7047 11.9658 11.9658 14.6808 14.6808 15.1304 15.1304 16.3521 16.3521 16.9779 16.9779 k = 0.2177 0.2177 0.5000 ( 1708 PWs) bands (ev): 5.3895 5.3895 5.4475 5.4475 5.6770 5.6770 5.7480 5.7480 5.8716 5.8716 6.6820 6.6820 7.3397 7.3397 8.7097 8.7097 9.2448 9.2448 9.3955 9.3955 9.5381 9.5381 9.5552 9.5552 9.6512 9.6512 9.9270 9.9270 10.0661 10.0661 10.4084 10.4084 10.4802 10.4802 11.3941 11.3941 11.4485 11.4485 11.5619 11.5619 11.7104 11.7104 11.9637 11.9637 14.8105 14.8105 15.2635 15.2635 16.3963 16.3963 17.0230 17.0230 k = 0.2097 0.2097 0.5000 ( 1708 PWs) bands (ev): 5.3859 5.3859 5.4504 5.4504 5.6701 5.6701 5.7469 5.7469 5.8632 5.8632 6.6521 6.6521 7.2713 7.2713 8.7395 8.7395 9.2316 9.2316 9.4014 9.4014 9.5285 9.5285 9.5499 9.5499 9.6520 9.6520 9.9195 9.9195 10.0662 10.0662 10.4020 10.4020 10.4724 10.4724 11.3889 11.3889 11.4505 11.4505 11.5695 11.5695 11.7166 11.7166 11.9628 11.9628 14.9418 14.9418 15.3980 15.3980 16.4429 16.4429 17.0704 17.0704 k = 0.2016 0.2016 0.5000 ( 1712 PWs) bands (ev): 5.3807 5.3807 5.4529 5.4529 5.6608 5.6608 5.7479 5.7479 5.8550 5.8550 6.6247 6.6247 7.2039 7.2039 8.7704 8.7704 9.2163 9.2163 9.4070 9.4070 9.5205 9.5205 9.5456 9.5456 9.6544 9.6544 9.9127 9.9127 10.0677 10.0677 10.3951 10.3951 10.4637 10.4637 11.3834 11.3834 11.4501 11.4501 11.5793 11.5793 11.7230 11.7230 11.9634 11.9634 15.0749 15.0749 15.5340 15.5340 16.4921 16.4921 17.1203 17.1203 k = 0.1935 0.1935 0.5000 ( 1712 PWs) bands (ev): 5.3736 5.3736 5.4552 5.4552 5.6503 5.6503 5.7502 5.7502 5.8473 5.8473 6.5998 6.5998 7.1378 7.1378 8.8023 8.8023 9.1998 9.1998 9.4111 9.4111 9.5140 9.5140 9.5433 9.5433 9.6578 9.6578 9.9063 9.9063 10.0706 10.0706 10.3881 10.3881 10.4542 10.4542 11.3776 11.3776 11.4479 11.4479 11.5906 11.5906 11.7296 11.7296 11.9659 11.9659 15.2097 15.2097 15.6713 15.6713 16.5440 16.5440 17.1727 17.1727 k = 0.1855 0.1855 0.5000 ( 1712 PWs) bands (ev): 5.3646 5.3646 5.4569 5.4569 5.6395 5.6395 5.7534 5.7534 5.8400 5.8400 6.5774 6.5774 7.0731 7.0731 8.8348 8.8348 9.1826 9.1826 9.4134 9.4134 9.5083 9.5083 9.5437 9.5437 9.6620 9.6620 9.9005 9.9005 10.0747 10.0747 10.3807 10.3807 10.4439 10.4439 11.3716 11.3716 11.4443 11.4443 11.6027 11.6027 11.7360 11.7360 11.9704 11.9704 15.3460 15.3460 15.8100 15.8100 16.5987 16.5987 17.2276 17.2276 k = 0.1774 0.1774 0.5000 ( 1712 PWs) bands (ev): 5.3534 5.3534 5.4582 5.4582 5.6294 5.6294 5.7569 5.7569 5.8333 5.8333 6.5572 6.5572 7.0099 7.0099 8.8676 8.8676 9.1651 9.1651 9.4138 9.4138 9.5027 9.5027 9.5472 9.5472 9.6666 9.6666 9.8952 9.8952 10.0800 10.0800 10.3729 10.3729 10.4330 10.4330 11.3652 11.3652 11.4399 11.4399 11.6149 11.6149 11.7419 11.7419 11.9773 11.9773 15.4840 15.4840 15.9499 15.9499 16.6561 16.6561 17.2851 17.2851 k = 0.1694 0.1694 0.5000 ( 1712 PWs) bands (ev): 5.3400 5.3400 5.4588 5.4588 5.6205 5.6205 5.7606 5.7606 5.8273 5.8273 6.5394 6.5394 6.9483 6.9483 8.9004 8.9004 9.1479 9.1479 9.4128 9.4128 9.4969 9.4969 9.5535 9.5535 9.6716 9.6716 9.8904 9.8904 10.0863 10.0863 10.3648 10.3648 10.4217 10.4217 11.3585 11.3585 11.4349 11.4349 11.6269 11.6269 11.7471 11.7471 11.9867 11.9867 15.6234 15.6234 16.0910 16.0910 16.7166 16.7166 17.3451 17.3451 k = 0.1613 0.1613 0.5000 ( 1718 PWs) bands (ev): 5.3244 5.3244 5.4588 5.4588 5.6133 5.6133 5.7640 5.7640 5.8221 5.8221 6.5235 6.5235 6.8884 6.8884 8.9329 8.9329 9.1310 9.1310 9.4110 9.4110 9.4910 9.4910 9.5616 9.5616 9.6766 9.6766 9.8860 9.8860 10.0937 10.0937 10.3561 10.3561 10.4100 10.4100 11.3515 11.3515 11.4296 11.4296 11.6382 11.6382 11.7513 11.7513 11.9984 11.9984 15.7643 15.7643 16.2332 16.2332 16.7800 16.7800 17.4076 17.4076 k = 0.1532 0.1532 0.5000 ( 1710 PWs) bands (ev): 5.3068 5.3068 5.4582 5.4582 5.6080 5.6080 5.7672 5.7672 5.8179 5.8179 6.5095 6.5095 6.8304 6.8304 8.9650 8.9650 9.1151 9.1151 9.4090 9.4090 9.4850 9.4850 9.5711 9.5711 9.6819 9.6819 9.8823 9.8823 10.1017 10.1017 10.3470 10.3470 10.3985 10.3985 11.3443 11.3443 11.4243 11.4243 11.6491 11.6491 11.7546 11.7546 12.0127 12.0127 15.9066 15.9066 16.3764 16.3764 16.8465 16.8465 17.4726 17.4726 k = 0.1452 0.1452 0.5000 ( 1710 PWs) bands (ev): 5.2876 5.2876 5.4571 5.4571 5.6046 5.6046 5.7698 5.7698 5.8148 5.8148 6.4972 6.4972 6.7743 6.7743 8.9949 8.9949 9.1009 9.1009 9.4068 9.4068 9.4793 9.4793 9.5811 9.5811 9.6870 9.6870 9.8790 9.8790 10.1104 10.1104 10.3372 10.3372 10.3872 10.3872 11.3368 11.3368 11.4190 11.4190 11.6593 11.6593 11.7566 11.7566 12.0290 12.0290 16.0501 16.0501 16.5205 16.5205 16.9160 16.9160 17.5401 17.5401 k = 0.1371 0.1371 0.5000 ( 1710 PWs) bands (ev): 5.2670 5.2670 5.4556 5.4556 5.6029 5.6029 5.7715 5.7715 5.8130 5.8130 6.4863 6.4863 6.7204 6.7204 9.0205 9.0205 9.0911 9.0911 9.4047 9.4047 9.4739 9.4739 9.5913 9.5913 9.6921 9.6921 9.8764 9.8764 10.1196 10.1196 10.3266 10.3266 10.3765 10.3765 11.3292 11.3292 11.4137 11.4137 11.6688 11.6688 11.7578 11.7578 12.0470 12.0470 16.1948 16.1948 16.6653 16.6653 16.9886 16.9886 17.6098 17.6098 k = 0.1290 0.1290 0.5000 ( 1716 PWs) bands (ev): 5.2455 5.2455 5.4536 5.4536 5.6028 5.6028 5.7723 5.7723 5.8124 5.8124 6.4766 6.4766 6.6686 6.6686 9.0345 9.0345 9.0925 9.0925 9.4025 9.4025 9.4689 9.4689 9.6015 9.6015 9.6968 9.6968 9.8743 9.8743 10.1289 10.1289 10.3152 10.3152 10.3666 10.3666 11.3213 11.3213 11.4087 11.4087 11.6776 11.6776 11.7580 11.7580 12.0663 12.0663 16.3405 16.3405 16.8106 16.8106 17.0644 17.0644 17.6817 17.6817 k = 0.1210 0.1210 0.5000 ( 1712 PWs) bands (ev): 5.2235 5.2235 5.4515 5.4515 5.6041 5.6041 5.7722 5.7722 5.8132 5.8132 6.4678 6.4678 6.6194 6.6194 9.0326 9.0326 9.1097 9.1097 9.4008 9.4008 9.4647 9.4647 9.6114 9.6114 9.7014 9.7014 9.8728 9.8728 10.1384 10.1384 10.3032 10.3032 10.3576 10.3576 11.3134 11.3134 11.4038 11.4038 11.6858 11.6858 11.7576 11.7576 12.0865 12.0865 16.4871 16.4871 16.9562 16.9562 17.1432 17.1432 17.7556 17.7556 k = 0.1129 0.1129 0.5000 ( 1712 PWs) bands (ev): 5.2015 5.2015 5.4492 5.4492 5.6065 5.6065 5.7714 5.7714 5.8152 5.8152 6.4592 6.4592 6.5732 6.5732 9.0232 9.0232 9.1338 9.1338 9.3991 9.3991 9.4612 9.4612 9.6208 9.6208 9.7056 9.7056 9.8719 9.8719 10.1477 10.1477 10.2908 10.2908 10.3496 10.3496 11.3054 11.3054 11.3992 11.3992 11.6933 11.6933 11.7567 11.7567 12.1070 12.1070 16.6344 16.6344 17.1018 17.1018 17.2251 17.2251 17.8311 17.8311 k = 0.1048 0.1048 0.5000 ( 1700 PWs) bands (ev): 5.1797 5.1797 5.4468 5.4468 5.6098 5.6098 5.7702 5.7702 5.8180 5.8180 6.4499 6.4499 6.5309 6.5309 9.0122 9.0122 9.1591 9.1591 9.3976 9.3976 9.4585 9.4585 9.6300 9.6300 9.7096 9.7096 9.8718 9.8718 10.1565 10.1565 10.2783 10.2783 10.3426 10.3426 11.2977 11.2977 11.3951 11.3951 11.7004 11.7004 11.7555 11.7555 12.1275 12.1275 16.7819 16.7819 17.2467 17.2467 17.3102 17.3102 17.9079 17.9079 k = 0.0968 0.0968 0.5000 ( 1700 PWs) bands (ev): 5.1586 5.1586 5.4445 5.4445 5.6137 5.6137 5.7688 5.7688 5.8213 5.8213 6.4369 6.4369 6.4955 6.4955 9.0010 9.0010 9.1836 9.1836 9.3961 9.3961 9.4568 9.4568 9.6383 9.6383 9.7130 9.7130 9.8722 9.8722 10.1642 10.1642 10.2663 10.2663 10.3365 10.3365 11.2899 11.2899 11.3911 11.3911 11.7066 11.7066 11.7541 11.7541 12.1477 12.1477 16.9295 16.9295 17.3850 17.3850 17.4039 17.4039 17.9857 17.9857 k = 0.0887 0.0887 0.5000 ( 1708 PWs) bands (ev): 5.1382 5.1382 5.4420 5.4420 5.6180 5.6180 5.7672 5.7672 5.8250 5.8250 6.4151 6.4151 6.4720 6.4720 8.9900 8.9900 9.2068 9.2068 9.3946 9.3946 9.4558 9.4558 9.6458 9.6458 9.7160 9.7160 9.8731 9.8731 10.1704 10.1704 10.2552 10.2552 10.3313 10.3313 11.2823 11.2823 11.3873 11.3873 11.7121 11.7121 11.7527 11.7527 12.1671 12.1671 17.0767 17.0767 17.4838 17.4838 17.5383 17.5383 18.0639 18.0639 k = 0.0806 0.0806 0.5000 ( 1708 PWs) bands (ev): 5.1191 5.1191 5.4398 5.4398 5.6227 5.6227 5.7657 5.7657 5.8291 5.8291 6.3851 6.3851 6.4599 6.4599 8.9799 8.9799 9.2282 9.2282 9.3935 9.3935 9.4559 9.4559 9.6526 9.6526 9.7186 9.7186 9.8745 9.8745 10.1742 10.1742 10.2460 10.2460 10.3271 10.3271 11.2750 11.2750 11.3838 11.3838 11.7168 11.7168 11.7514 11.7514 12.1857 12.1857 17.2228 17.2228 17.5762 17.5762 17.6792 17.6792 18.1419 18.1419 k = 0.0726 0.0726 0.5000 ( 1704 PWs) bands (ev): 5.1012 5.1012 5.4377 5.4377 5.6275 5.6275 5.7644 5.7644 5.8333 5.8333 6.3529 6.3529 6.4532 6.4532 8.9707 8.9707 9.2474 9.2474 9.3926 9.3926 9.4568 9.4568 9.6587 9.6587 9.7208 9.7208 9.8765 9.8765 10.1749 10.1749 10.2396 10.2396 10.3238 10.3238 11.2681 11.2681 11.3807 11.3807 11.7210 11.7210 11.7505 11.7505 12.2031 12.2031 17.3671 17.3671 17.6695 17.6695 17.8178 17.8178 18.2189 18.2189 k = 0.0645 0.0645 0.5000 ( 1704 PWs) bands (ev): 5.0848 5.0848 5.4357 5.4357 5.6323 5.6323 5.7633 5.7633 5.8377 5.8377 6.3216 6.3216 6.4488 6.4488 8.9622 8.9622 9.2643 9.2643 9.3921 9.3921 9.4585 9.4585 9.6638 9.6638 9.7227 9.7227 9.8788 9.8788 10.1722 10.1722 10.2362 10.2362 10.3215 10.3215 11.2615 11.2615 11.3779 11.3779 11.7240 11.7240 11.7500 11.7500 12.2192 12.2192 17.5083 17.5083 17.7636 17.7636 17.9525 17.9525 18.2940 18.2940 k = 0.0565 0.0565 0.5000 ( 1702 PWs) bands (ev): 5.0700 5.0700 5.4339 5.4339 5.6369 5.6369 5.7623 5.7623 5.8422 5.8422 6.2924 6.2924 6.4456 6.4456 8.9548 8.9548 9.2786 9.2786 9.3921 9.3921 9.4609 9.4609 9.6681 9.6681 9.7243 9.7243 9.8814 9.8814 10.1666 10.1666 10.2353 10.2353 10.3202 10.3202 11.2556 11.2556 11.3754 11.3754 11.7261 11.7261 11.7501 11.7501 12.2338 12.2338 17.6450 17.6450 17.8578 17.8578 18.0814 18.0814 18.3665 18.3665 k = 0.0484 0.0484 0.5000 ( 1702 PWs) bands (ev): 5.0570 5.0570 5.4323 5.4323 5.6412 5.6412 5.7615 5.7615 5.8466 5.8466 6.2660 6.2660 6.4432 6.4432 8.9482 8.9482 9.2904 9.2904 9.3926 9.3926 9.4636 9.4636 9.6714 9.6714 9.7257 9.7257 9.8842 9.8842 10.1596 10.1596 10.2357 10.2357 10.3197 10.3197 11.2502 11.2502 11.3732 11.3732 11.7274 11.7274 11.7506 11.7506 12.2468 12.2468 17.7748 17.7748 17.9510 17.9510 18.2025 18.2025 18.4352 18.4352 k = 0.0403 0.0403 0.5000 ( 1706 PWs) bands (ev): 5.0459 5.0459 5.4310 5.4310 5.6451 5.6451 5.7608 5.7608 5.8508 5.8508 6.2428 6.2428 6.4414 6.4414 8.9427 8.9427 9.2995 9.2995 9.3935 9.3935 9.4666 9.4666 9.6739 9.6739 9.7269 9.7269 9.8868 9.8868 10.1523 10.1523 10.2365 10.2365 10.3198 10.3198 11.2454 11.2454 11.3712 11.3712 11.7280 11.7280 11.7515 11.7515 12.2579 12.2579 17.8948 17.8948 18.0417 18.0417 18.3125 18.3125 18.4994 18.4994 k = 0.0323 0.0323 0.5000 ( 1710 PWs) bands (ev): 5.0366 5.0366 5.4298 5.4298 5.6485 5.6485 5.7602 5.7602 5.8547 5.8547 6.2231 6.2231 6.4400 6.4400 8.9381 8.9381 9.3064 9.3064 9.3946 9.3946 9.4695 9.4695 9.6757 9.6757 9.7279 9.7279 9.8894 9.8894 10.1454 10.1454 10.2372 10.2372 10.3204 10.3204 11.2414 11.2414 11.3696 11.3696 11.7281 11.7281 11.7525 11.7525 12.2671 12.2671 18.0008 18.0008 18.1279 18.1279 18.4075 18.4075 18.5584 18.5584 k = 0.0242 0.0242 0.5000 ( 1698 PWs) bands (ev): 5.0294 5.0294 5.4290 5.4290 5.6513 5.6513 5.7599 5.7599 5.8582 5.8582 6.2072 6.2072 6.4390 6.4390 8.9347 8.9347 9.3114 9.3114 9.3960 9.3960 9.4724 9.4724 9.6770 9.6770 9.7289 9.7289 9.8917 9.8917 10.1397 10.1397 10.2379 10.2379 10.3213 10.3213 11.2383 11.2383 11.3685 11.3685 11.7281 11.7281 11.7535 11.7535 12.2744 12.2744 18.0885 18.0885 18.2061 18.2061 18.4832 18.4832 18.6111 18.6111 k = 0.0161 0.0161 0.5000 ( 1690 PWs) bands (ev): 5.0242 5.0242 5.4284 5.4284 5.6534 5.6534 5.7597 5.7597 5.8609 5.8609 6.1956 6.1956 6.4384 6.4384 8.9324 8.9324 9.3147 9.3147 9.3972 9.3972 9.4746 9.4746 9.6778 9.6778 9.7296 9.7296 9.8935 9.8935 10.1353 10.1353 10.2383 10.2383 10.3220 10.3220 11.2361 11.2361 11.3676 11.3676 11.7280 11.7280 11.7543 11.7543 12.2797 12.2797 18.1542 18.1542 18.2702 18.2702 18.5366 18.5366 18.6551 18.6551 k = 0.0081 0.0081 0.5000 ( 1686 PWs) bands (ev): 5.0211 5.0211 5.4281 5.4281 5.6546 5.6546 5.7597 5.7597 5.8626 5.8626 6.1885 6.1885 6.4380 6.4380 8.9310 8.9310 9.3165 9.3165 9.3980 9.3980 9.4761 9.4761 9.6782 9.6782 9.7301 9.7301 9.8947 9.8947 10.1326 10.1326 10.2386 10.2386 10.3226 10.3226 11.2347 11.2347 11.3671 11.3671 11.7280 11.7280 11.7549 11.7549 12.2829 12.2829 18.1949 18.1949 18.3130 18.3130 18.5675 18.5675 18.6850 18.6850 k = 0.0000 0.0000 0.5000 ( 1686 PWs) bands (ev): 5.0200 5.0200 5.4280 5.4280 5.6551 5.6551 5.7596 5.7596 5.8632 5.8632 6.1861 6.1861 6.4378 6.4378 8.9305 8.9305 9.3171 9.3171 9.3982 9.3982 9.4766 9.4766 9.6783 9.6783 9.7302 9.7302 9.8951 9.8951 10.1316 10.1316 10.2387 10.2387 10.3228 10.3228 11.2342 11.2342 11.3669 11.3669 11.7279 11.7279 11.7550 11.7550 12.2840 12.2840 18.2088 18.2088 18.3280 18.3280 18.5775 18.5775 18.6957 18.6957 k = 0.0000 0.5000-0.0000 ( 1686 PWs) bands (ev): 5.0200 5.0200 5.4280 5.4280 5.6551 5.6551 5.7596 5.7596 5.8632 5.8632 6.1861 6.1861 6.4378 6.4378 8.9305 8.9305 9.3171 9.3171 9.3982 9.3982 9.4766 9.4766 9.6783 9.6783 9.7302 9.7302 9.8951 9.8951 10.1316 10.1316 10.2387 10.2387 10.3228 10.3228 11.2342 11.2342 11.3669 11.3669 11.7279 11.7279 11.7550 11.7550 12.2840 12.2840 18.2088 18.2088 18.3280 18.3280 18.5775 18.5775 18.6957 18.6957 k = 0.0000 0.5000 0.0114 ( 1686 PWs) bands (ev): 5.0210 5.0210 5.4281 5.4281 5.6548 5.6548 5.7596 5.7596 5.8625 5.8625 6.1883 6.1883 6.4380 6.4380 8.9310 8.9310 9.3165 9.3165 9.3977 9.3977 9.4757 9.4757 9.6779 9.6779 9.7301 9.7301 9.8947 9.8947 10.1332 10.1332 10.2390 10.2390 10.3228 10.3228 11.2347 11.2347 11.3669 11.3669 11.7278 11.7278 11.7549 11.7549 12.2828 12.2828 18.2013 18.2013 18.3069 18.3069 18.5711 18.5711 18.6816 18.6816 k = 0.0000 0.5000 0.0227 ( 1692 PWs) bands (ev): 5.0240 5.0240 5.4285 5.4285 5.6540 5.6540 5.7596 5.7596 5.8607 5.8607 6.1951 6.1951 6.4384 6.4384 8.9323 8.9323 9.3150 9.3150 9.3960 9.3960 9.4730 9.4730 9.6767 9.6767 9.7296 9.7296 9.8939 9.8939 10.1377 10.1377 10.2399 10.2399 10.3228 10.3228 11.2361 11.2361 11.3668 11.3668 11.7276 11.7276 11.7546 11.7546 12.2794 12.2794 18.1556 18.1556 18.2727 18.2727 18.5364 18.5364 18.6571 18.6571 k = 0.0000 0.5000 0.0341 ( 1698 PWs) bands (ev): 5.0290 5.0290 5.4292 5.4292 5.6526 5.6526 5.7597 5.7597 5.8579 5.8579 6.2062 6.2062 6.4392 6.4392 8.9348 8.9348 9.3122 9.3122 9.3932 9.3932 9.4686 9.4686 9.6745 9.6745 9.7288 9.7288 9.8929 9.8929 10.1448 10.1448 10.2414 10.2414 10.3228 10.3228 11.2385 11.2385 11.3666 11.3666 11.7271 11.7271 11.7541 11.7541 12.2737 12.2737 18.0458 18.0458 18.2650 18.2650 18.4509 18.4509 18.6513 18.6513 k = 0.0000 0.5000 0.0455 ( 1706 PWs) bands (ev): 5.0359 5.0359 5.4303 5.4303 5.6508 5.6508 5.7599 5.7599 5.8544 5.8544 6.2211 6.2211 6.4403 6.4403 8.9384 8.9384 9.3084 9.3084 9.3892 9.3892 9.4628 9.4628 9.6712 9.6712 9.7276 9.7276 9.8923 9.8923 10.1542 10.1542 10.2435 10.2435 10.3227 10.3227 11.2418 11.2418 11.3663 11.3663 11.7265 11.7265 11.7535 11.7535 12.2657 12.2657 17.8972 17.8972 18.2708 18.2708 18.3266 18.3266 18.6614 18.6614 k = 0.0000 0.5000 0.0568 ( 1706 PWs) bands (ev): 5.0448 5.0448 5.4316 5.4316 5.6486 5.6486 5.7602 5.7602 5.8506 5.8506 6.2397 6.2397 6.4418 6.4418 8.9430 8.9430 9.3038 9.3038 9.3843 9.3843 9.4557 9.4557 9.6666 9.6666 9.7260 9.7260 9.8926 9.8926 10.1655 10.1655 10.2462 10.2462 10.3228 10.3228 11.2459 11.2459 11.3661 11.3661 11.7256 11.7256 11.7529 11.7529 12.2556 12.2556 17.7283 17.7283 18.1727 18.1727 18.2875 18.2875 18.6800 18.6800 k = 0.0000 0.5000 0.0682 ( 1702 PWs) bands (ev): 5.0555 5.0555 5.4333 5.4333 5.6459 5.6459 5.7606 5.7606 5.8467 5.8467 6.2616 6.2616 6.4437 6.4437 8.9485 8.9485 9.2981 9.2981 9.3784 9.3784 9.4477 9.4477 9.6605 9.6605 9.7239 9.7239 9.8944 9.8944 10.1781 10.1781 10.2496 10.2496 10.3230 10.3230 11.2510 11.2510 11.3660 11.3660 11.7244 11.7244 11.7523 11.7523 12.2435 12.2435 17.5479 17.5479 18.0053 18.0053 18.3055 18.3055 18.7048 18.7048 k = 0.0000 0.5000 0.0795 ( 1706 PWs) bands (ev): 5.0680 5.0680 5.4352 5.4352 5.6430 5.6430 5.7611 5.7611 5.8428 5.8428 6.2863 6.2863 6.4461 6.4461 8.9548 8.9548 9.2912 9.2912 9.3711 9.3711 9.4388 9.4388 9.6528 9.6528 9.7212 9.7212 9.8979 9.8979 10.1915 10.1915 10.2533 10.2533 10.3232 10.3232 11.2569 11.2569 11.3661 11.3661 11.7228 11.7228 11.7517 11.7517 12.2292 12.2292 17.3611 17.3611 17.8261 17.8261 18.3278 18.3278 18.7349 18.7349 k = 0.0000 0.5000 0.0909 ( 1702 PWs) bands (ev): 5.0823 5.0823 5.4373 5.4373 5.6398 5.6398 5.7618 5.7618 5.8392 5.8392 6.3136 6.3136 6.4492 6.4492 8.9622 8.9622 9.2835 9.2835 9.3628 9.3628 9.4295 9.4295 9.6437 9.6437 9.7178 9.7178 9.9033 9.9033 10.2054 10.2054 10.2576 10.2576 10.3236 10.3236 11.2634 11.2634 11.3664 11.3664 11.7208 11.7208 11.7514 11.7514 12.2130 12.2130 17.1710 17.1710 17.6391 17.6391 18.3540 18.3540 18.7698 18.7698 k = 0.0000 0.5000 0.1023 ( 1706 PWs) bands (ev): 5.0981 5.0981 5.4396 5.4396 5.6365 5.6365 5.7627 5.7627 5.8360 5.8360 6.3429 6.3429 6.4532 6.4532 8.9705 8.9705 9.2746 9.2746 9.3532 9.3532 9.4198 9.4198 9.6332 9.6332 9.7136 9.7136 9.9104 9.9104 10.2192 10.2192 10.2622 10.2622 10.3245 10.3245 11.2702 11.2702 11.3671 11.3671 11.7182 11.7182 11.7513 11.7513 12.1948 12.1948 16.9797 16.9797 17.4471 17.4471 18.3838 18.3838 18.8095 18.8095 k = 0.0000 0.5000 0.1136 ( 1708 PWs) bands (ev): 5.1153 5.1153 5.4421 5.4421 5.6333 5.6333 5.7637 5.7637 5.8331 5.8331 6.3737 6.3737 6.4587 6.4587 8.9796 8.9796 9.2648 9.2648 9.3424 9.3424 9.4102 9.4102 9.6216 9.6216 9.7086 9.7086 9.9194 9.9194 10.2324 10.2324 10.2672 10.2672 10.3260 10.3260 11.2772 11.2772 11.3686 11.3686 11.7152 11.7152 11.7515 11.7515 12.1749 12.1749 16.7886 16.7886 17.2519 17.2519 18.4172 18.4172 18.8536 18.8536 k = 0.0000 0.5000 0.1250 ( 1700 PWs) bands (ev): 5.1339 5.1339 5.4448 5.4448 5.6303 5.6303 5.7650 5.7650 5.8309 5.8309 6.4043 6.4043 6.4671 6.4671 8.9896 8.9896 9.2537 9.2537 9.3304 9.3304 9.4007 9.4007 9.6092 9.6092 9.7030 9.7030 9.9301 9.9301 10.2443 10.2443 10.2725 10.2725 10.3287 10.3287 11.2843 11.2843 11.3713 11.3713 11.7120 11.7120 11.7519 11.7519 12.1533 12.1533 16.5987 16.5987 17.0550 17.0550 18.4541 18.4541 18.9021 18.9021 k = 0.0000 0.5000 0.1364 ( 1708 PWs) bands (ev): 5.1536 5.1536 5.4475 5.4475 5.6277 5.6277 5.7665 5.7665 5.8290 5.8290 6.4307 6.4307 6.4823 6.4823 9.0002 9.0002 9.2414 9.2414 9.3173 9.3173 9.3914 9.3914 9.5959 9.5959 9.6964 9.6964 9.9421 9.9421 10.2541 10.2541 10.2782 10.2782 10.3327 10.3327 11.2906 11.2906 11.3752 11.3752 11.7083 11.7083 11.7526 11.7526 12.1301 12.1301 16.4106 16.4106 16.8574 16.8574 18.4945 18.4945 18.9549 18.9549 k = 0.0000 0.5000 0.1477 ( 1708 PWs) bands (ev): 5.1742 5.1742 5.4501 5.4501 5.6257 5.6257 5.7682 5.7682 5.8276 5.8276 6.4485 6.4485 6.5089 6.5089 9.0114 9.0114 9.2278 9.2278 9.3035 9.3035 9.3826 9.3826 9.5824 9.5824 9.6891 9.6891 9.9553 9.9553 10.2611 10.2611 10.2847 10.2847 10.3388 10.3388 11.2960 11.2960 11.3812 11.3812 11.7044 11.7044 11.7536 11.7536 12.1053 12.1053 16.2250 16.2250 16.6600 16.6600 18.5382 18.5382 19.0118 19.0118 k = 0.0000 0.5000 0.1591 ( 1708 PWs) bands (ev): 5.1956 5.1956 5.4527 5.4527 5.6246 5.6246 5.7701 5.7701 5.8268 5.8268 6.4600 6.4600 6.5445 6.5445 9.0231 9.0231 9.2126 9.2126 9.2892 9.2892 9.3743 9.3743 9.5685 9.5685 9.6810 9.6810 9.9696 9.9696 10.2651 10.2651 10.2917 10.2917 10.3467 10.3467 11.3001 11.3001 11.3895 11.3895 11.7003 11.7003 11.7548 11.7548 12.0792 12.0792 16.0423 16.0423 16.4635 16.4635 18.5853 18.5853 19.0727 19.0727 k = 0.0000 0.5000 0.1705 ( 1704 PWs) bands (ev): 5.2173 5.2173 5.4551 5.4551 5.6247 5.6247 5.7722 5.7722 5.8266 5.8266 6.4693 6.4693 6.5850 6.5850 9.0352 9.0352 9.1959 9.1959 9.2749 9.2749 9.3664 9.3664 9.5546 9.5546 9.6721 9.6721 9.9849 9.9849 10.2666 10.2666 10.2990 10.2990 10.3562 10.3562 11.3027 11.3027 11.4001 11.4001 11.6962 11.6962 11.7562 11.7562 12.0520 12.0520 15.8628 15.8628 16.2683 16.2683 18.6357 18.6357 19.1375 19.1375 k = 0.0000 0.5000 0.1818 ( 1704 PWs) bands (ev): 5.2391 5.2391 5.4571 5.4571 5.6261 5.6261 5.7746 5.7746 5.8269 5.8269 6.4784 6.4784 6.6283 6.6283 9.0473 9.0473 9.1774 9.1774 9.2607 9.2607 9.3589 9.3589 9.5407 9.5407 9.6625 9.6625 10.0009 10.0009 10.2663 10.2663 10.3064 10.3064 10.3665 10.3665 11.3039 11.3039 11.4129 11.4129 11.6921 11.6921 11.7579 11.7579 12.0235 12.0235 15.6869 15.6869 16.0750 16.0750 18.6894 18.6894 19.2061 19.2061 k = 0.0000 0.5000 0.1932 ( 1708 PWs) bands (ev): 5.2607 5.2607 5.4586 5.4586 5.6291 5.6291 5.7770 5.7770 5.8277 5.8277 6.4881 6.4881 6.6737 6.6737 9.0589 9.0589 9.1572 9.1572 9.2468 9.2468 9.3518 9.3518 9.5269 9.5269 9.6520 9.6520 10.0176 10.0176 10.2649 10.2649 10.3139 10.3139 10.3772 10.3772 11.3040 11.3040 11.4277 11.4277 11.6883 11.6883 11.7598 11.7598 11.9939 11.9939 15.5146 15.5146 15.8838 15.8838 18.7463 18.7463 19.2784 19.2784 k = 0.0000 0.5000 0.2045 ( 1708 PWs) bands (ev): 5.2817 5.2817 5.4596 5.4596 5.6340 5.6340 5.7796 5.7796 5.8293 5.8293 6.4988 6.4988 6.7210 6.7210 9.0690 9.0690 9.1366 9.1366 9.2338 9.2338 9.3450 9.3450 9.5135 9.5135 9.6408 9.6408 10.0348 10.0348 10.2627 10.2627 10.3213 10.3213 10.3877 10.3877 11.3032 11.3032 11.4441 11.4441 11.6846 11.6846 11.7619 11.7619 11.9635 11.9635 15.3463 15.3463 15.6951 15.6951 18.8063 18.8063 19.3542 19.3542 k = 0.0000 0.5000 0.2159 ( 1704 PWs) bands (ev): 5.3018 5.3018 5.4601 5.4601 5.6409 5.6409 5.7823 5.7823 5.8317 5.8317 6.5108 6.5108 6.7699 6.7699 9.0732 9.0732 9.1193 9.1193 9.2219 9.2219 9.3387 9.3387 9.5006 9.5006 9.6289 9.6289 10.0524 10.0524 10.2601 10.2601 10.3288 10.3288 10.3976 10.3976 11.3017 11.3017 11.4617 11.4617 11.6813 11.6813 11.7644 11.7644 11.9326 11.9326 15.1822 15.1822 15.5092 15.5092 18.8695 18.8695 19.4335 19.4335 k = 0.0000 0.5000 0.2273 ( 1696 PWs) bands (ev): 5.3207 5.3207 5.4600 5.4600 5.6497 5.6497 5.7850 5.7850 5.8351 5.8351 6.5243 6.5243 6.8201 6.8201 9.0620 9.0620 9.1141 9.1141 9.2117 9.2117 9.3329 9.3329 9.4882 9.4882 9.6164 9.6164 10.0702 10.0702 10.2575 10.2575 10.3362 10.3362 10.4068 10.4068 11.2997 11.2997 11.4804 11.4804 11.6788 11.6788 11.7672 11.7672 11.9010 11.9010 15.0223 15.0223 15.3263 15.3263 18.9358 18.9358 19.5162 19.5162 k = 0.0000 0.5000 0.2386 ( 1700 PWs) bands (ev): 5.3382 5.3382 5.4591 5.4591 5.6601 5.6601 5.7876 5.7876 5.8395 5.8395 6.5397 6.5397 6.8715 6.8715 9.0374 9.0374 9.1181 9.1181 9.2037 9.2037 9.3273 9.3273 9.4764 9.4764 9.6033 9.6033 10.0878 10.0878 10.2551 10.2551 10.3434 10.3434 10.4147 10.4147 11.2973 11.2973 11.4996 11.4996 11.6771 11.6771 11.7702 11.7702 11.8690 11.8690 14.8668 14.8668 15.1467 15.1467 19.0051 19.0051 19.6020 19.6020 k = 0.0000 0.5000 0.2500 ( 1700 PWs) bands (ev): 5.3542 5.3542 5.4577 5.4577 5.6719 5.6719 5.7901 5.7901 5.8453 5.8453 6.5571 6.5571 6.9240 6.9240 9.0069 9.0069 9.1224 9.1224 9.1993 9.1993 9.3224 9.3224 9.4654 9.4654 9.5897 9.5897 10.1051 10.1051 10.2533 10.2533 10.3504 10.3504 10.4215 10.4215 11.2947 11.2947 11.5188 11.5188 11.6767 11.6767 11.7735 11.7735 11.8371 11.8371 14.7158 14.7158 14.9705 14.9705 19.0774 19.0774 19.6910 19.6910 k = 0.0000 0.5000 0.2614 ( 1700 PWs) bands (ev): 5.3686 5.3686 5.4559 5.4559 5.6844 5.6844 5.7924 5.7924 5.8526 5.8526 6.5768 6.5768 6.9774 6.9774 8.9729 8.9729 9.1233 9.1233 9.1994 9.1994 9.3181 9.3181 9.4552 9.4552 9.5758 9.5758 10.1215 10.1215 10.2527 10.2527 10.3571 10.3571 10.4269 10.4269 11.2918 11.2918 11.5372 11.5372 11.6784 11.6784 11.7762 11.7762 11.8064 11.8064 14.5694 14.5694 14.7981 14.7981 19.1526 19.1526 19.7830 19.7830 k = 0.0000 0.5000 0.2727 ( 1694 PWs) bands (ev): 5.3815 5.3815 5.4537 5.4537 5.6973 5.6973 5.7945 5.7945 5.8617 5.8617 6.5992 6.5992 7.0315 7.0315 8.9361 8.9361 9.1201 9.1201 9.2040 9.2040 9.3148 9.3148 9.4461 9.4461 9.5618 9.5618 10.1365 10.1365 10.2540 10.2540 10.3635 10.3635 10.4309 10.4309 11.2887 11.2887 11.5539 11.5539 11.6827 11.6827 11.7672 11.7672 11.7886 11.7886 14.4276 14.4276 14.6296 14.6296 19.2307 19.2307 19.8779 19.8779 k = 0.0000 0.5000 0.2841 ( 1698 PWs) bands (ev): 5.3929 5.3929 5.4512 5.4512 5.7098 5.7098 5.7963 5.7963 5.8722 5.8722 6.6243 6.6243 7.0860 7.0860 8.8966 8.8966 9.1140 9.1140 9.2110 9.2110 9.3121 9.3121 9.4379 9.4379 9.5477 9.5477 10.1490 10.1490 10.2577 10.2577 10.3693 10.3693 10.4334 10.4334 11.2855 11.2855 11.5671 11.5671 11.6905 11.6905 11.7399 11.7399 11.7912 11.7912 14.2906 14.2906 14.4652 14.4652 19.3115 19.3115 19.9756 19.9756 k = 0.0000 0.5000 0.2955 ( 1698 PWs) bands (ev): 5.4029 5.4029 5.4486 5.4486 5.7215 5.7215 5.7979 5.7979 5.8843 5.8843 6.6526 6.6526 7.1408 7.1408 8.8543 8.8543 9.1061 9.1061 9.2189 9.2189 9.3107 9.3107 9.4309 9.4309 9.5340 9.5340 10.1587 10.1587 10.2646 10.2646 10.3743 10.3743 10.4348 10.4348 11.2823 11.2823 11.5754 11.5754 11.6983 11.6983 11.7168 11.7168 11.7972 11.7972 14.1583 14.1583 14.3050 14.3050 19.3951 19.3951 20.0761 20.0761 k = 0.0000 0.5000 0.3068 ( 1694 PWs) bands (ev): 5.4115 5.4115 5.4460 5.4460 5.7322 5.7322 5.7994 5.7994 5.8977 5.8977 6.6843 6.6843 7.1957 7.1957 8.8095 8.8095 9.0975 9.0975 9.2263 9.2263 9.3108 9.3108 9.4251 9.4251 9.5208 9.5208 10.1651 10.1651 10.2749 10.2749 10.3783 10.3783 10.4352 10.4352 11.2790 11.2790 11.5769 11.5769 11.6823 11.6823 11.7257 11.7257 11.8046 11.8046 14.0309 14.0309 14.1494 14.1494 19.4813 19.4813 20.1791 20.1791 k = 0.0000 0.5000 0.3182 ( 1698 PWs) bands (ev): 5.4189 5.4189 5.4436 5.4436 5.7418 5.7418 5.8007 5.8007 5.9119 5.9119 6.7193 6.7193 7.2503 7.2503 8.7618 8.7618 9.0886 9.0886 9.2322 9.2322 9.3122 9.3122 9.4205 9.4205 9.5087 9.5087 10.1687 10.1687 10.2879 10.2879 10.3808 10.3808 10.4352 10.4352 11.2757 11.2757 11.5698 11.5698 11.6637 11.6637 11.7472 11.7472 11.8135 11.8135 13.9081 13.9081 13.9985 13.9985 19.5701 19.5701 20.2846 20.2846 k = 0.0000 0.5000 0.3295 ( 1690 PWs) bands (ev): 5.4247 5.4247 5.4420 5.4420 5.7503 5.7503 5.8019 5.8019 5.9265 5.9265 6.7580 6.7580 7.3044 7.3044 8.7115 8.7115 9.0798 9.0798 9.2366 9.2366 9.3151 9.3151 9.4170 9.4170 9.4981 9.4981 10.1702 10.1702 10.3024 10.3024 10.3817 10.3817 10.4354 10.4354 11.2724 11.2724 11.5537 11.5537 11.6521 11.6521 11.7729 11.7729 11.8241 11.8241 13.7902 13.7902 13.8525 13.8525 19.6613 19.6613 20.3924 20.3924 k = 0.0000 0.5000 0.3409 ( 1686 PWs) bands (ev): 5.4280 5.4280 5.4420 5.4420 5.7576 5.7576 5.8030 5.8030 5.9412 5.9412 6.8003 6.8003 7.3577 7.3577 8.6586 8.6586 9.0710 9.0710 9.2390 9.2390 9.3188 9.3188 9.4141 9.4141 9.4898 9.4898 10.1703 10.1703 10.3164 10.3164 10.3815 10.3815 10.4364 10.4364 11.2691 11.2691 11.5308 11.5308 11.6465 11.6465 11.8009 11.8009 11.8367 11.8367 13.6766 13.6766 13.7120 13.7120 19.7548 19.7548 20.5025 20.5025 k = 0.0000 0.5000 0.3523 ( 1686 PWs) bands (ev): 5.4284 5.4284 5.4443 5.4443 5.7640 5.7640 5.8039 5.8039 5.9553 5.9553 6.8462 6.8462 7.4097 7.4097 8.6031 8.6031 9.0626 9.0626 9.2400 9.2400 9.3228 9.3228 9.4111 9.4111 9.4847 9.4847 10.1695 10.1695 10.3264 10.3264 10.3828 10.3828 10.4383 10.4383 11.2658 11.2658 11.5044 11.5044 11.6441 11.6441 11.8301 11.8301 11.8522 11.8522 13.5648 13.5648 13.5796 13.5796 19.8506 19.8506 20.6147 20.6147 k = 0.0000 0.5000 0.3636 ( 1686 PWs) bands (ev): 5.4270 5.4270 5.4479 5.4479 5.7696 5.7696 5.8048 5.8048 5.9688 5.9688 6.8956 6.8956 7.4603 7.4603 8.5451 8.5451 9.0546 9.0546 9.2399 9.2399 9.3268 9.3268 9.4072 9.4072 9.4837 9.4837 10.1682 10.1682 10.3281 10.3281 10.3899 10.3899 10.4410 10.4410 11.2624 11.2624 11.4766 11.4766 11.6435 11.6435 11.8569 11.8569 11.8741 11.8741 13.4418 13.4418 13.4686 13.4686 19.9483 19.9483 20.7288 20.7288 k = 0.0000 0.5000 0.3750 ( 1686 PWs) bands (ev): 5.4250 5.4250 5.4517 5.4517 5.7745 5.7745 5.8055 5.8055 5.9812 5.9812 6.9484 6.9484 7.5089 7.5089 8.4848 8.4848 9.0470 9.0470 9.2391 9.2391 9.3304 9.3304 9.4021 9.4021 9.4869 9.4869 10.1667 10.1667 10.3209 10.3209 10.4033 10.4033 10.4443 10.4443 11.2590 11.2590 11.4487 11.4487 11.6438 11.6438 11.8792 11.8792 11.9044 11.9044 13.3175 13.3175 13.3690 13.3690 20.0479 20.0479 20.8446 20.8446 k = 0.0000 0.5000 0.3864 ( 1686 PWs) bands (ev): 5.4229 5.4229 5.4552 5.4552 5.7788 5.7788 5.8063 5.8063 5.9926 5.9926 7.0043 7.0043 7.5552 7.5552 8.4222 8.4222 9.0400 9.0400 9.2379 9.2379 9.3337 9.3337 9.3959 9.3959 9.4938 9.4938 10.1650 10.1650 10.3080 10.3080 10.4199 10.4199 10.4478 10.4478 11.2555 11.2555 11.4214 11.4214 11.6445 11.6445 11.9013 11.9013 11.9388 11.9388 13.1982 13.1982 13.2748 13.2748 20.1490 20.1490 20.9620 20.9620 k = 0.0000 0.5000 0.3977 ( 1686 PWs) bands (ev): 5.4208 5.4208 5.4585 5.4585 5.7825 5.7825 5.8069 5.8069 6.0028 6.0028 7.0631 7.0631 7.5987 7.5987 8.3576 8.3576 9.0336 9.0336 9.2365 9.2365 9.3368 9.3368 9.3892 9.3892 9.5036 9.5036 10.1632 10.1632 10.2919 10.2919 10.4376 10.4376 10.4513 10.4513 11.2519 11.2519 11.3954 11.3954 11.6453 11.6453 11.9255 11.9255 11.9751 11.9751 13.0844 13.0844 13.1856 13.1856 20.2513 20.2513 21.0805 21.0805 k = 0.0000 0.5000 0.4091 ( 1688 PWs) bands (ev): 5.4188 5.4188 5.4614 5.4614 5.7857 5.7857 5.8074 5.8074 6.0119 6.0119 7.1244 7.1244 7.6391 7.6391 8.2912 8.2912 9.0277 9.0277 9.2350 9.2350 9.3396 9.3396 9.3825 9.3825 9.5151 9.5151 10.1615 10.1615 10.2739 10.2739 10.4534 10.4534 10.4566 10.4566 11.2479 11.2479 11.3711 11.3711 11.6463 11.6463 11.9525 11.9525 12.0126 12.0126 12.9763 12.9763 13.1014 13.1014 20.3543 20.3543 21.1997 21.1997 k = 0.0000 0.5000 0.4205 ( 1688 PWs) bands (ev): 5.4170 5.4170 5.4639 5.4639 5.7885 5.7885 5.8080 5.8080 6.0198 6.0198 7.1880 7.1880 7.6759 7.6759 8.2234 8.2234 9.0225 9.0225 9.2334 9.2334 9.3423 9.3423 9.3761 9.3761 9.5277 9.5277 10.1599 10.1599 10.2550 10.2550 10.4574 10.4574 10.4730 10.4730 11.2437 11.2437 11.3492 11.3492 11.6473 11.6473 11.9826 11.9826 12.0509 12.0509 12.8740 12.8740 13.0222 13.0222 20.4572 20.4572 21.3191 21.3191 k = 0.0000 0.5000 0.4318 ( 1684 PWs) bands (ev): 5.4155 5.4155 5.4661 5.4661 5.7909 5.7909 5.8084 5.8084 6.0265 6.0265 7.2534 7.2534 7.7088 7.7088 8.1544 8.1544 9.0179 9.0179 9.2320 9.2320 9.3449 9.3449 9.3704 9.3704 9.5407 9.5407 10.1583 10.1583 10.2361 10.2361 10.4603 10.4603 10.4891 10.4891 11.2389 11.2389 11.3301 11.3301 11.6482 11.6482 12.0160 12.0160 12.0896 12.0896 12.7776 12.7776 12.9484 12.9484 20.5591 20.5591 21.4377 21.4377 k = 0.0000 0.5000 0.4432 ( 1690 PWs) bands (ev): 5.4141 5.4141 5.4678 5.4678 5.7928 5.7928 5.8088 5.8088 6.0321 6.0321 7.3200 7.3200 7.7373 7.7373 8.0847 8.0847 9.0140 9.0140 9.2307 9.2307 9.3472 9.3472 9.3653 9.3653 9.5534 9.5534 10.1566 10.1566 10.2180 10.2180 10.4628 10.4628 10.5036 10.5036 11.2336 11.2336 11.3143 11.3143 11.6489 11.6489 12.0528 12.0528 12.1279 12.1279 12.6872 12.6872 12.8804 12.8804 20.6583 20.6583 21.5540 21.5540 k = 0.0000 0.5000 0.4545 ( 1690 PWs) bands (ev): 5.4129 5.4129 5.4693 5.4693 5.7945 5.7945 5.8091 5.8091 6.0366 6.0366 7.3872 7.3872 7.7611 7.7611 8.0150 8.0150 9.0108 9.0108 9.2297 9.2297 9.3492 9.3492 9.3610 9.3610 9.5651 9.5651 10.1548 10.1548 10.2019 10.2019 10.4649 10.4649 10.5163 10.5163 11.2278 11.2278 11.3021 11.3021 11.6496 11.6496 12.0931 12.0931 12.1649 12.1649 12.6027 12.6027 12.8191 12.8191 20.7524 20.7524 21.6657 21.6657 k = 0.0000 0.5000 0.4659 ( 1692 PWs) bands (ev): 5.4120 5.4120 5.4705 5.4705 5.7957 5.7957 5.8094 5.8094 6.0401 6.0401 7.4537 7.4537 7.7799 7.7799 7.9466 7.9466 9.0083 9.0083 9.2288 9.2288 9.3509 9.3509 9.3577 9.3577 9.5752 9.5752 10.1527 10.1527 10.1888 10.1888 10.4665 10.4665 10.5266 10.5266 11.2221 11.2221 11.2932 11.2932 11.6501 11.6501 12.1369 12.1369 12.1990 12.1990 12.5245 12.5245 12.7663 12.7663 20.8375 20.8375 21.7686 21.7686 k = 0.0000 0.5000 0.4773 ( 1692 PWs) bands (ev): 5.4113 5.4113 5.4713 5.4713 5.7965 5.7965 5.8096 5.8096 6.0425 6.0425 7.5170 7.5170 7.7936 7.7936 7.8821 7.8821 9.0065 9.0065 9.2281 9.2281 9.3520 9.3520 9.3555 9.3555 9.5831 9.5831 10.1502 10.1502 10.1796 10.1796 10.4677 10.4677 10.5343 10.5343 11.2173 11.2173 11.2874 11.2874 11.6505 11.6505 12.1831 12.1831 12.2278 12.2278 12.4535 12.4535 12.7243 12.7243 20.9080 20.9080 21.8555 21.8555 k = 0.0000 0.5000 0.4886 ( 1692 PWs) bands (ev): 5.4109 5.4109 5.4717 5.4717 5.7971 5.7971 5.8097 5.8097 6.0440 6.0440 7.5699 7.5699 7.8018 7.8018 7.8284 7.8284 9.0054 9.0054 9.2277 9.2277 9.3524 9.3524 9.3545 9.3545 9.5880 9.5880 10.1480 10.1480 10.1745 10.1745 10.4684 10.4684 10.5391 10.5391 11.2140 11.2140 11.2841 11.2841 11.6507 11.6507 12.2279 12.2279 12.2483 12.2483 12.3932 12.3932 12.6966 12.6966 20.9558 20.9558 21.9151 21.9151 k = 0.0000 0.5000 0.5000 ( 1692 PWs) bands (ev): 5.4108 5.4108 5.4719 5.4719 5.7972 5.7972 5.8097 5.8097 6.0445 6.0445 7.5935 7.5935 7.8040 7.8040 7.8052 7.8052 9.0050 9.0050 9.2276 9.2276 9.3523 9.3523 9.3544 9.3544 9.5898 9.5898 10.1471 10.1471 10.1729 10.1729 10.4687 10.4687 10.5407 10.5407 11.2129 11.2129 11.2831 11.2831 11.6507 11.6507 12.2493 12.2493 12.2595 12.2595 12.3628 12.3628 12.6869 12.6869 20.9729 20.9729 21.9318 21.9319 k = 0.5000 0.5000-0.0000 ( 1692 PWs) bands (ev): 5.3456 5.3456 5.5102 5.5102 5.8036 5.8036 5.8369 5.8369 6.0189 6.0189 7.4067 7.4067 7.8557 7.8557 8.0403 8.0403 9.0014 9.0014 9.3395 9.3395 9.5161 9.5161 9.7033 9.7033 9.8432 9.8432 9.9222 9.9222 10.0657 10.0657 10.1543 10.1543 10.2415 10.2415 11.2132 11.2132 11.4670 11.4670 11.4849 11.4849 11.5546 11.5546 11.7104 11.7104 13.0407 13.0407 13.1967 13.1967 21.3613 21.3613 21.5586 21.5586 k = 0.5000 0.5000 0.0114 ( 1692 PWs) bands (ev): 5.3456 5.3456 5.5102 5.5102 5.8031 5.8031 5.8368 5.8368 6.0188 6.0188 7.4064 7.4064 7.8575 7.8575 8.0416 8.0416 9.0012 9.0012 9.3406 9.3406 9.5169 9.5169 9.7027 9.7027 9.8431 9.8431 9.9220 9.9220 10.0663 10.0663 10.1542 10.1542 10.2425 10.2425 11.2134 11.2134 11.4670 11.4670 11.4849 11.4849 11.5553 11.5553 11.7107 11.7107 13.0404 13.0404 13.1961 13.1961 21.2924 21.2924 21.5232 21.5232 k = 0.5000 0.5000 0.0227 ( 1692 PWs) bands (ev): 5.3455 5.3455 5.5099 5.5099 5.8018 5.8018 5.8363 5.8363 6.0183 6.0183 7.4054 7.4054 7.8627 7.8627 8.0457 8.0457 9.0007 9.0007 9.3437 9.3437 9.5193 9.5193 9.7010 9.7010 9.8429 9.8429 9.9215 9.9215 10.0680 10.0680 10.1538 10.1538 10.2455 10.2455 11.2139 11.2139 11.4671 11.4671 11.4847 11.4847 11.5574 11.5574 11.7117 11.7117 13.0394 13.0394 13.1943 13.1943 21.1333 21.1333 21.4255 21.4255 k = 0.5000 0.5000 0.0341 ( 1692 PWs) bands (ev): 5.3452 5.3452 5.5095 5.5095 5.7996 5.7996 5.8356 5.8356 6.0175 6.0175 7.4037 7.4037 7.8713 7.8713 8.0525 8.0525 8.9999 8.9999 9.3489 9.3489 9.5232 9.5232 9.6982 9.6982 9.8426 9.8426 9.9209 9.9209 10.0708 10.0708 10.1532 10.1532 10.2506 10.2506 11.2149 11.2149 11.4673 11.4673 11.4844 11.4844 11.5608 11.5608 11.7134 11.7134 13.0378 13.0378 13.1912 13.1912 20.9391 20.9391 21.2843 21.2843 k = 0.5000 0.5000 0.0455 ( 1692 PWs) bands (ev): 5.3449 5.3449 5.5089 5.5089 5.7964 5.7964 5.8346 5.8346 6.0165 6.0165 7.4014 7.4014 7.8833 7.8833 8.0618 8.0618 8.9987 8.9987 9.3561 9.3561 9.5286 9.5286 9.6941 9.6941 9.8425 9.8425 9.9202 9.9202 10.0742 10.0742 10.1525 10.1525 10.2574 10.2574 11.2163 11.2163 11.4676 11.4676 11.4840 11.4840 11.5658 11.5658 11.7158 11.7158 13.0355 13.0355 13.1869 13.1869 20.7323 20.7323 21.1165 21.1165 k = 0.5000 0.5000 0.0568 ( 1700 PWs) bands (ev): 5.3445 5.3445 5.5080 5.5080 5.7924 5.7924 5.8335 5.8335 6.0152 6.0152 7.3985 7.3985 7.8986 7.8986 8.0737 8.0737 8.9972 8.9972 9.3653 9.3653 9.5356 9.5356 9.6891 9.6891 9.8424 9.8424 9.9194 9.9194 10.0783 10.0783 10.1517 10.1517 10.2660 10.2660 11.2182 11.2182 11.4676 11.4676 11.4836 11.4836 11.5716 11.5716 11.7187 11.7187 13.0326 13.0326 13.1813 13.1813 20.5210 20.5210 20.9332 20.9332 k = 0.5000 0.5000 0.0682 ( 1700 PWs) bands (ev): 5.3439 5.3439 5.5069 5.5069 5.7876 5.7876 5.8324 5.8324 6.0137 6.0137 7.3950 7.3950 7.9171 7.9171 8.0881 8.0881 8.9955 8.9955 9.3765 9.3765 9.5441 9.5441 9.6833 9.6833 9.8427 9.8427 9.9189 9.9189 10.0828 10.0828 10.1511 10.1511 10.2761 10.2761 11.2206 11.2206 11.4677 11.4677 11.4833 11.4833 11.5787 11.5787 11.7223 11.7223 13.0290 13.0290 13.1744 13.1744 20.3089 20.3089 20.7414 20.7414 k = 0.5000 0.5000 0.0795 ( 1700 PWs) bands (ev): 5.3433 5.3433 5.5054 5.5054 5.7819 5.7819 5.8314 5.8314 6.0119 6.0119 7.3910 7.3910 7.9387 7.9387 8.1047 8.1047 8.9934 8.9934 9.3896 9.3896 9.5542 9.5542 9.6767 9.6767 9.8434 9.8434 9.9187 9.9187 10.0874 10.0874 10.1508 10.1508 10.2877 10.2877 11.2236 11.2236 11.4677 11.4677 11.4830 11.4830 11.5869 11.5869 11.7265 11.7265 13.0246 13.0246 13.1662 13.1662 20.0976 20.0976 20.5453 20.5453 k = 0.5000 0.5000 0.0909 ( 1700 PWs) bands (ev): 5.3426 5.3426 5.5035 5.5035 5.7755 5.7755 5.8305 5.8305 6.0101 6.0101 7.3864 7.3864 7.9632 7.9632 8.1236 8.1236 8.9910 8.9910 9.4045 9.4045 9.5657 9.5657 9.6697 9.6697 9.8445 9.8445 9.9190 9.9190 10.0918 10.0918 10.1510 10.1510 10.3006 10.3006 11.2272 11.2272 11.4675 11.4675 11.4829 11.4829 11.5960 11.5960 11.7313 11.7313 13.0195 13.0195 13.1565 13.1565 19.8881 19.8881 20.3474 20.3474 k = 0.5000 0.5000 0.1023 ( 1700 PWs) bands (ev): 5.3418 5.3418 5.5012 5.5012 5.7684 5.7684 5.8299 5.8299 6.0081 6.0081 7.3815 7.3815 7.9906 7.9906 8.1445 8.1445 8.9883 8.9883 9.4210 9.4210 9.5784 9.5784 9.6623 9.6623 9.8462 9.8462 9.9198 9.9198 10.0958 10.0958 10.1520 10.1520 10.3145 10.3145 11.2315 11.2315 11.4670 11.4670 11.4830 11.4830 11.6060 11.6060 11.7366 11.7366 13.0136 13.0136 13.1455 13.1455 19.6810 19.6810 20.1495 20.1495 k = 0.5000 0.5000 0.1136 ( 1696 PWs) bands (ev): 5.3409 5.3409 5.4985 5.4985 5.7607 5.7607 5.8297 5.8297 6.0059 6.0059 7.3762 7.3762 8.0206 8.0206 8.1673 8.1673 8.9853 8.9853 9.4392 9.4392 9.5924 9.5924 9.6553 9.6553 9.8485 9.8485 9.9212 9.9212 10.0993 10.0993 10.1540 10.1540 10.3294 10.3294 11.2366 11.2366 11.4662 11.4662 11.4834 11.4834 11.6167 11.6167 11.7425 11.7425 13.0069 13.0069 13.1329 13.1329 19.4766 19.4766 19.9527 19.9527 k = 0.5000 0.5000 0.1250 ( 1688 PWs) bands (ev): 5.3401 5.3401 5.4952 5.4952 5.7524 5.7524 5.8300 5.8300 6.0037 6.0037 7.3706 7.3706 8.0531 8.0531 8.1919 8.1919 8.9820 8.9820 9.4588 9.4588 9.6068 9.6068 9.6493 9.6493 9.8515 9.8515 9.9233 9.9233 10.1020 10.1020 10.1574 10.1574 10.3451 10.3451 11.2424 11.2424 11.4651 11.4651 11.4841 11.4841 11.6281 11.6281 11.7488 11.7488 12.9993 12.9993 13.1189 13.1189 19.2752 19.2752 19.7579 19.7579 k = 0.5000 0.5000 0.1364 ( 1696 PWs) bands (ev): 5.3390 5.3390 5.4913 5.4913 5.7434 5.7434 5.8306 5.8306 6.0014 6.0014 7.3647 7.3647 8.0878 8.0878 8.2178 8.2178 8.9783 8.9783 9.4793 9.4793 9.6192 9.6192 9.6468 9.6468 9.8547 9.8547 9.9259 9.9259 10.1039 10.1039 10.1619 10.1619 10.3614 10.3614 11.2489 11.2489 11.4635 11.4635 11.4849 11.4849 11.6399 11.6399 11.7556 11.7556 12.9907 12.9907 13.1032 13.1032 19.0771 19.0771 19.5656 19.5656 k = 0.5000 0.5000 0.1477 ( 1696 PWs) bands (ev): 5.3378 5.3378 5.4868 5.4868 5.7341 5.7341 5.8319 5.8319 5.9991 5.9991 7.3586 7.3586 8.1246 8.1246 8.2451 8.2451 8.9745 8.9745 9.5009 9.5009 9.6237 9.6237 9.6544 9.6544 9.8587 9.8587 9.9295 9.9295 10.1053 10.1053 10.1679 10.1679 10.3782 10.3782 11.2563 11.2563 11.4617 11.4617 11.4859 11.4859 11.6523 11.6523 11.7628 11.7628 12.9811 12.9811 13.0858 13.0858 18.8824 18.8824 19.3764 19.3764 k = 0.5000 0.5000 0.1591 ( 1696 PWs) bands (ev): 5.3365 5.3365 5.4818 5.4818 5.7244 5.7244 5.8338 5.8338 5.9967 5.9967 7.3523 7.3523 8.1632 8.1632 8.2734 8.2734 8.9704 8.9704 9.5227 9.5227 9.6222 9.6222 9.6707 9.6707 9.8633 9.8633 9.9339 9.9339 10.1065 10.1065 10.1753 10.1753 10.3954 10.3954 11.2646 11.2646 11.4595 11.4595 11.4872 11.4872 11.6650 11.6650 11.7703 11.7703 12.9704 12.9704 13.0665 13.0665 18.6912 18.6912 19.1907 19.1907 k = 0.5000 0.5000 0.1705 ( 1696 PWs) bands (ev): 5.3352 5.3352 5.4763 5.4763 5.7144 5.7144 5.8363 5.8363 5.9944 5.9944 7.3459 7.3459 8.2034 8.2034 8.3025 8.3025 8.9662 8.9662 9.5436 9.5436 9.6211 9.6211 9.6902 9.6902 9.8683 9.8683 9.9391 9.9391 10.1077 10.1077 10.1839 10.1839 10.4129 10.4129 11.2737 11.2737 11.4570 11.4570 11.4885 11.4885 11.6780 11.6780 11.7782 11.7782 12.9586 12.9586 13.0455 13.0455 18.5038 18.5038 19.0089 19.0089 k = 0.5000 0.5000 0.1818 ( 1696 PWs) bands (ev): 5.3337 5.3337 5.4702 5.4702 5.7042 5.7042 5.8394 5.8394 5.9920 5.9920 7.3395 7.3395 8.2449 8.2449 8.3323 8.3323 8.9618 8.9618 9.5615 9.5615 9.6242 9.6242 9.7115 9.7115 9.8738 9.8738 9.9453 9.9453 10.1093 10.1093 10.1939 10.1939 10.4306 10.4306 11.2836 11.2836 11.4542 11.4542 11.4900 11.4900 11.6913 11.6913 11.7864 11.7864 12.9455 12.9455 13.0225 13.0225 18.3202 18.3202 18.8311 18.8311 k = 0.5000 0.5000 0.1932 ( 1704 PWs) bands (ev): 5.3322 5.3322 5.4636 5.4636 5.6938 5.6938 5.8430 5.8430 5.9896 5.9896 7.3330 7.3330 8.2873 8.2873 8.3624 8.3624 8.9572 8.9572 9.5735 9.5735 9.6346 9.6346 9.7339 9.7339 9.8797 9.8797 9.9524 9.9524 10.1115 10.1115 10.2051 10.2051 10.4483 10.4483 11.2944 11.2944 11.4511 11.4511 11.4915 11.4915 11.7045 11.7045 11.7947 11.7947 12.9310 12.9310 12.9974 12.9974 18.1407 18.1407 18.6578 18.6578 k = 0.5000 0.5000 0.2045 ( 1708 PWs) bands (ev): 5.3306 5.3306 5.4566 5.4566 5.6834 5.6834 5.8472 5.8472 5.9873 5.9873 7.3267 7.3267 8.3304 8.3304 8.3927 8.3927 8.9525 8.9525 9.5797 9.5797 9.6523 9.6523 9.7574 9.7574 9.8859 9.8859 9.9605 9.9605 10.1148 10.1148 10.2179 10.2179 10.4662 10.4662 11.3060 11.3060 11.4476 11.4476 11.4931 11.4931 11.7179 11.7179 11.8033 11.8033 12.9151 12.9151 12.9701 12.9701 17.9653 17.9653 18.4892 18.4892 k = 0.5000 0.5000 0.2159 ( 1708 PWs) bands (ev): 5.3289 5.3289 5.4493 5.4493 5.6729 5.6729 5.8519 5.8519 5.9850 5.9850 7.3204 7.3204 8.3737 8.3737 8.4229 8.4229 8.9477 8.9477 9.5834 9.5834 9.6740 9.6740 9.7820 9.7820 9.8924 9.8924 9.9697 9.9697 10.1193 10.1193 10.2324 10.2324 10.4840 10.4840 11.3185 11.3185 11.4439 11.4439 11.4948 11.4948 11.7313 11.7313 11.8121 11.8121 12.8979 12.8979 12.9406 12.9406 17.7941 17.7941 18.3255 18.3255 k = 0.5000 0.5000 0.2273 ( 1708 PWs) bands (ev): 5.3271 5.3271 5.4418 5.4418 5.6626 5.6626 5.8571 5.8571 5.9827 5.9827 7.3143 7.3143 8.4168 8.4168 8.4529 8.4529 8.9429 8.9429 9.5869 9.5869 9.6970 9.6970 9.8076 9.8076 9.8991 9.8991 9.9802 9.9802 10.1251 10.1251 10.2489 10.2489 10.5018 10.5018 11.3317 11.3317 11.4398 11.4398 11.4965 11.4965 11.7446 11.7446 11.8209 11.8209 12.8790 12.8790 12.9089 12.9089 17.6273 17.6273 18.1669 18.1669 k = 0.5000 0.5000 0.2386 ( 1700 PWs) bands (ev): 5.3253 5.3253 5.4341 5.4341 5.6524 5.6524 5.8626 5.8626 5.9806 5.9806 7.3085 7.3085 8.4590 8.4590 8.4829 8.4829 8.9381 8.9381 9.5917 9.5917 9.7200 9.7200 9.8340 9.8340 9.9062 9.9062 9.9920 9.9920 10.1326 10.1326 10.2678 10.2678 10.5195 10.5195 11.3457 11.3457 11.4356 11.4356 11.4984 11.4984 11.7577 11.7577 11.8299 11.8299 12.8583 12.8583 12.8747 12.8747 17.4651 17.4651 18.0137 18.0137 k = 0.5000 0.5000 0.2500 ( 1692 PWs) bands (ev): 5.3233 5.3233 5.4262 5.4262 5.6423 5.6423 5.8686 5.8686 5.9785 5.9785 7.3028 7.3028 8.4984 8.4984 8.5139 8.5139 8.9334 8.9334 9.5984 9.5984 9.7420 9.7420 9.8603 9.8603 9.9143 9.9143 10.0053 10.0053 10.1415 10.1415 10.2893 10.2893 10.5371 10.5371 11.3601 11.3601 11.4312 11.4312 11.5002 11.5002 11.7706 11.7706 11.8388 11.8388 12.8354 12.8354 12.8388 12.8388 17.3077 17.3077 17.8661 17.8661 k = 0.5000 0.5000 0.2614 ( 1708 PWs) bands (ev): 5.3212 5.3212 5.4181 5.4181 5.6322 5.6322 5.8745 5.8745 5.9763 5.9763 7.2973 7.2973 8.5315 8.5315 8.5486 8.5486 8.9285 8.9285 9.6071 9.6071 9.7623 9.7623 9.8840 9.8840 9.9256 9.9256 10.0198 10.0198 10.1517 10.1517 10.3136 10.3136 10.5543 10.5543 11.3744 11.3744 11.4271 11.4271 11.5018 11.5018 11.7830 11.7830 11.8475 11.8475 12.7984 12.7984 12.8122 12.8122 17.1550 17.1550 17.7243 17.7243 k = 0.5000 0.5000 0.2727 ( 1708 PWs) bands (ev): 5.3191 5.3191 5.4102 5.4102 5.6226 5.6226 5.8807 5.8807 5.9743 5.9743 7.2922 7.2922 8.5594 8.5594 8.5857 8.5857 8.9239 8.9239 9.6183 9.6183 9.7811 9.7811 9.9008 9.9008 9.9451 9.9451 10.0358 10.0358 10.1634 10.1634 10.3410 10.3410 10.5715 10.5715 11.3874 11.3874 11.4246 11.4246 11.5038 11.5038 11.7952 11.7952 11.8563 11.8563 12.7565 12.7565 12.7860 12.7860 17.0074 17.0074 17.5885 17.5885 k = 0.5000 0.5000 0.2841 ( 1708 PWs) bands (ev): 5.3170 5.3170 5.4023 5.4023 5.6133 5.6133 5.8869 5.8869 5.9724 5.9724 7.2873 7.2873 8.5848 8.5848 8.6217 8.6217 8.9194 8.9194 9.6318 9.6318 9.7981 9.7981 9.9111 9.9111 9.9722 9.9722 10.0531 10.0531 10.1766 10.1766 10.3718 10.3718 10.5885 10.5885 11.3951 11.3951 11.4274 11.4274 11.5058 11.5058 11.8070 11.8070 11.8650 11.8650 12.7120 12.7120 12.7577 12.7577 16.8651 16.8651 17.4589 17.4589 k = 0.5000 0.5000 0.2955 ( 1708 PWs) bands (ev): 5.3148 5.3148 5.3946 5.3946 5.6044 5.6044 5.8931 5.8931 5.9706 5.9706 7.2827 7.2827 8.6084 8.6084 8.6555 8.6555 8.9151 8.9151 9.6475 9.6475 9.8133 9.8133 9.9190 9.9190 10.0025 10.0025 10.0718 10.0718 10.1911 10.1911 10.4061 10.4061 10.6054 10.6054 11.3947 11.3947 11.4382 11.4382 11.5080 11.5080 11.8184 11.8184 11.8735 11.8735 12.6648 12.6648 12.7274 12.7274 16.7281 16.7281 17.3356 17.3356 k = 0.5000 0.5000 0.3068 ( 1708 PWs) bands (ev): 5.3126 5.3126 5.3870 5.3870 5.5958 5.5958 5.8991 5.8991 5.9690 5.9690 7.2785 7.2785 8.6303 8.6303 8.6866 8.6866 8.9110 8.9110 9.6649 9.6649 9.8266 9.8266 9.9275 9.9275 10.0330 10.0330 10.0924 10.0924 10.2068 10.2068 10.4438 10.4438 10.6222 10.6222 11.3896 11.3896 11.4534 11.4534 11.5106 11.5106 11.8291 11.8291 11.8818 11.8818 12.6149 12.6149 12.6948 12.6948 16.5967 16.5967 17.2187 17.2187 k = 0.5000 0.5000 0.3182 ( 1716 PWs) bands (ev): 5.3101 5.3101 5.3798 5.3798 5.5876 5.5876 5.9050 5.9050 5.9674 5.9674 7.2745 7.2745 8.6505 8.6505 8.7145 8.7145 8.9072 8.9072 9.6834 9.6834 9.8376 9.8376 9.9382 9.9382 10.0613 10.0613 10.1161 10.1161 10.2237 10.2237 10.4849 10.4849 10.6388 10.6388 11.3825 11.3825 11.4695 11.4695 11.5140 11.5140 11.8393 11.8393 11.8897 11.8897 12.5624 12.5624 12.6601 12.6601 16.4711 16.4711 17.1084 17.1084 k = 0.5000 0.5000 0.3295 ( 1716 PWs) bands (ev): 5.3078 5.3078 5.3728 5.3728 5.5798 5.5798 5.9106 5.9106 5.9661 5.9661 7.2709 7.2709 8.6691 8.6691 8.7393 8.7393 8.9038 8.9038 9.7022 9.7022 9.8463 9.8463 9.9526 9.9526 10.0859 10.0859 10.1441 10.1441 10.2417 10.2417 10.5292 10.5292 10.6557 10.6557 11.3743 11.3743 11.4846 11.4846 11.5194 11.5194 11.8488 11.8488 11.8975 11.8975 12.5075 12.5075 12.6233 12.6233 16.3516 16.3516 17.0048 17.0048 k = 0.5000 0.5000 0.3409 ( 1708 PWs) bands (ev): 5.3055 5.3055 5.3663 5.3663 5.5726 5.5726 5.9160 5.9160 5.9651 5.9651 7.2677 7.2677 8.6862 8.6862 8.7608 8.7608 8.9011 8.9011 9.7204 9.7204 9.8525 9.8525 9.9712 9.9712 10.1069 10.1069 10.1761 10.1761 10.2605 10.2605 10.5764 10.5764 10.6729 10.6729 11.3653 11.3653 11.4961 11.4961 11.5289 11.5289 11.8577 11.8577 11.9049 11.9049 12.4503 12.4503 12.5842 12.5842 16.2382 16.2382 16.9080 16.9080 k = 0.5000 0.5000 0.3523 ( 1708 PWs) bands (ev): 5.3031 5.3031 5.3601 5.3601 5.5658 5.5658 5.9209 5.9209 5.9642 5.9642 7.2647 7.2647 8.7016 8.7016 8.7791 8.7791 8.8986 8.8986 9.7371 9.7371 9.8567 9.8567 9.9935 9.9935 10.1260 10.1260 10.2103 10.2103 10.2797 10.2797 10.6255 10.6255 10.6912 10.6912 11.3556 11.3556 11.5029 11.5029 11.5432 11.5432 11.8656 11.8656 11.9119 11.9119 12.3911 12.3911 12.5432 12.5432 16.1313 16.1313 16.8180 16.8180 k = 0.5000 0.5000 0.3636 ( 1700 PWs) bands (ev): 5.3008 5.3008 5.3544 5.3544 5.5595 5.5595 5.9254 5.9254 5.9638 5.9638 7.2622 7.2622 8.7155 8.7155 8.7943 8.7943 8.8969 8.8969 9.7519 9.7519 9.8594 9.8594 10.0184 10.0184 10.1454 10.1454 10.2454 10.2454 10.2993 10.2993 10.6739 10.6739 10.7131 10.7131 11.3453 11.3453 11.5068 11.5068 11.5603 11.5603 11.8726 11.8726 11.9185 11.9185 12.3302 12.3302 12.5002 12.5002 16.0311 16.0311 16.7348 16.7348 k = 0.5000 0.5000 0.3750 ( 1700 PWs) bands (ev): 5.2984 5.2984 5.3491 5.3491 5.5536 5.5536 5.9292 5.9292 5.9637 5.9637 7.2598 7.2598 8.7280 8.7280 8.8065 8.8065 8.8955 8.8955 9.7643 9.7643 9.8612 9.8612 10.0433 10.0433 10.1667 10.1667 10.2803 10.2803 10.3190 10.3190 10.7108 10.7108 10.7492 10.7492 11.3345 11.3345 11.5092 11.5092 11.5784 11.5784 11.8785 11.8785 11.9246 11.9246 12.2680 12.2680 12.4556 12.4556 15.9377 15.9377 16.6585 16.6585 k = 0.5000 0.5000 0.3864 ( 1696 PWs) bands (ev): 5.2961 5.2961 5.3442 5.3442 5.5483 5.5483 5.9324 5.9324 5.9640 5.9640 7.2577 7.2577 8.7390 8.7390 8.8161 8.8161 8.8949 8.8949 9.7746 9.7746 9.8624 9.8624 10.0661 10.0661 10.1918 10.1918 10.3138 10.3138 10.3392 10.3392 10.7345 10.7345 10.8008 10.8008 11.3234 11.3234 11.5110 11.5110 11.5966 11.5966 11.8829 11.8829 11.9301 11.9301 12.2052 12.2052 12.4097 12.4097 15.8515 15.8515 16.5890 16.5890 k = 0.5000 0.5000 0.3977 ( 1696 PWs) bands (ev): 5.2939 5.2939 5.3398 5.3398 5.5434 5.5434 5.9348 5.9348 5.9648 5.9648 7.2559 7.2559 8.7487 8.7487 8.8233 8.8233 8.8948 8.8948 9.7827 9.7827 9.8633 9.8633 10.0849 10.0849 10.2209 10.2209 10.3437 10.3437 10.3615 10.3615 10.7556 10.7556 10.8573 10.8573 11.3120 11.3120 11.5124 11.5124 11.6143 11.6143 11.8854 11.8854 11.9351 11.9351 12.1428 12.1428 12.3629 12.3629 15.7727 15.7727 16.5262 16.5262 k = 0.5000 0.5000 0.4091 ( 1696 PWs) bands (ev): 5.2918 5.2918 5.3359 5.3359 5.5391 5.5391 5.9365 5.9365 5.9659 5.9659 7.2544 7.2544 8.7571 8.7571 8.8285 8.8285 8.8952 8.8952 9.7891 9.7891 9.8641 9.8641 10.0994 10.0994 10.2528 10.2528 10.3668 10.3668 10.3883 10.3883 10.7771 10.7771 10.9153 10.9153 11.3006 11.3006 11.5135 11.5135 11.6309 11.6309 11.8848 11.8848 11.9394 11.9394 12.0825 12.0825 12.3159 12.3159 15.7014 15.7014 16.4701 16.4701 k = 0.5000 0.5000 0.4205 ( 1696 PWs) bands (ev): 5.2898 5.2898 5.3325 5.3325 5.5352 5.5352 5.9377 5.9377 5.9673 5.9673 7.2531 7.2531 8.7644 8.7644 8.8321 8.8321 8.8960 8.8960 9.7939 9.7939 9.8649 9.8649 10.1104 10.1104 10.2850 10.2850 10.3859 10.3859 10.4167 10.4167 10.7998 10.7998 10.9732 10.9732 11.2894 11.2894 11.5143 11.5143 11.6463 11.6463 11.8789 11.8789 11.9428 11.9428 12.0273 12.0273 12.2695 12.2695 15.6379 15.6379 16.4205 16.4205 k = 0.5000 0.5000 0.4318 ( 1696 PWs) bands (ev): 5.2880 5.2880 5.3296 5.3296 5.5319 5.5319 5.9385 5.9385 5.9688 5.9688 7.2520 7.2520 8.7705 8.7705 8.8345 8.8345 8.8970 8.8970 9.7975 9.7975 9.8657 9.8657 10.1187 10.1187 10.3151 10.3151 10.4035 10.4035 10.4438 10.4438 10.8240 10.8240 11.0300 11.0300 11.2786 11.2786 11.5150 11.5150 11.6598 11.6598 11.8630 11.8630 11.9447 11.9447 11.9833 11.9833 12.2251 12.2251 15.5825 15.5825 16.3774 16.3774 k = 0.5000 0.5000 0.4432 ( 1696 PWs) bands (ev): 5.2864 5.2864 5.3271 5.3271 5.5291 5.5291 5.9389 5.9389 5.9703 5.9703 7.2511 7.2511 8.7756 8.7756 8.8360 8.8360 8.8980 8.8980 9.8001 9.8001 9.8665 9.8665 10.1250 10.1250 10.3408 10.3408 10.4205 10.4205 10.4681 10.4681 10.8494 10.8494 11.0842 11.0842 11.2686 11.2686 11.5154 11.5154 11.6713 11.6713 11.8332 11.8332 11.9410 11.9410 11.9598 11.9598 12.1840 12.1840 15.5352 15.5352 16.3403 16.3403 k = 0.5000 0.5000 0.4545 ( 1704 PWs) bands (ev): 5.2850 5.2850 5.3250 5.3250 5.5267 5.5267 5.9391 5.9391 5.9716 5.9716 7.2502 7.2502 8.7796 8.7796 8.8369 8.8369 8.8989 8.8989 9.8019 9.8019 9.8672 9.8672 10.1297 10.1297 10.3608 10.3608 10.4366 10.4366 10.4891 10.4891 10.8749 10.8749 11.1341 11.1341 11.2598 11.2598 11.5157 11.5157 11.6803 11.6803 11.7941 11.7941 11.9294 11.9294 11.9560 11.9560 12.1480 12.1480 15.4962 15.4962 16.3091 16.3091 k = 0.5000 0.5000 0.4659 ( 1704 PWs) bands (ev): 5.2839 5.2839 5.3235 5.3235 5.5249 5.5249 5.9392 5.9392 5.9727 5.9727 7.2497 7.2497 8.7827 8.7827 8.8374 8.8374 8.8997 8.8997 9.8031 9.8031 9.8678 9.8678 10.1331 10.1331 10.3754 10.3754 10.4509 10.4509 10.5061 10.5061 10.8990 10.8990 11.1776 11.1776 11.2526 11.2526 11.5157 11.5157 11.6867 11.6867 11.7548 11.7548 11.9188 11.9188 11.9565 11.9565 12.1189 12.1189 15.4658 15.4658 16.2836 16.2836 k = 0.5000 0.5000 0.4773 ( 1720 PWs) bands (ev): 5.2829 5.2829 5.3222 5.3222 5.5234 5.5234 5.9392 5.9392 5.9735 5.9735 7.2490 7.2490 8.7847 8.7847 8.8375 8.8375 8.9001 8.9001 9.8038 9.8038 9.8682 9.8682 10.1354 10.1354 10.3850 10.3850 10.4620 10.4620 10.5186 10.5186 10.9193 10.9193 11.2115 11.2115 11.2477 11.2477 11.5155 11.5155 11.6905 11.6905 11.7222 11.7222 11.9100 11.9100 11.9573 11.9573 12.0979 12.0979 15.4439 15.4439 16.2642 16.2642 k = 0.5000 0.5000 0.4886 ( 1736 PWs) bands (ev): 5.2823 5.2823 5.3214 5.3214 5.5225 5.5225 5.9391 5.9391 5.9739 5.9739 7.2486 7.2486 8.7859 8.7859 8.8374 8.8374 8.9003 8.9003 9.8041 9.8041 9.8684 9.8684 10.1367 10.1367 10.3904 10.3904 10.4690 10.4690 10.5262 10.5262 10.9329 10.9329 11.2316 11.2316 11.2465 11.2465 11.5152 11.5152 11.6921 11.6921 11.7009 11.7009 11.9039 11.9039 11.9578 11.9578 12.0853 12.0853 15.4307 15.4307 16.2519 16.2519 k = 0.5000 0.5000 0.5000 ( 1736 PWs) bands (ev): 5.2822 5.2822 5.3212 5.3212 5.5222 5.5222 5.9391 5.9391 5.9740 5.9740 7.2485 7.2485 8.7863 8.7863 8.8375 8.8375 8.9004 8.9004 9.8042 9.8042 9.8685 9.8685 10.1371 10.1371 10.3921 10.3921 10.4714 10.4714 10.5288 10.5288 10.9378 10.9378 11.2361 11.2361 11.2487 11.2487 11.5151 11.5151 11.6913 11.6913 11.6947 11.6947 11.9017 11.9017 11.9580 11.9580 12.0812 12.0812 15.4263 15.4263 16.2477 16.2477 Writing output data file ZnCu2Ni.save init_run : 0.20s CPU 0.34s WALL ( 1 calls) electrons : 110.49s CPU 113.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 110.48s CPU 113.48s 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 : 0.06s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.06s WALL ( 441 calls) cegterg : 100.36s CPU 102.26s WALL ( 549 calls) Called by sum_band: Called by *egterg: h_psi : 44.28s CPU 45.62s WALL ( 9352 calls) s_psi : 5.13s CPU 5.06s WALL ( 9352 calls) g_psi : 0.07s CPU 0.11s WALL ( 8362 calls) cdiaghg : 49.81s CPU 50.49s WALL ( 8803 calls) cegterg:over : 3.57s CPU 3.66s WALL ( 8362 calls) cegterg:upda : 2.09s CPU 2.18s WALL ( 8362 calls) cegterg:last : 1.54s CPU 1.63s WALL ( 1431 calls) cdiaghg:chol : 2.73s CPU 2.68s WALL ( 8803 calls) cdiaghg:inve : 1.75s CPU 1.67s WALL ( 8803 calls) cdiaghg:para : 2.93s CPU 3.03s WALL ( 17606 calls) Called by h_psi: h_psi:vloc : 34.72s CPU 35.77s WALL ( 9352 calls) h_psi:vnl : 9.44s CPU 9.74s WALL ( 9352 calls) add_vuspsi : 5.67s CPU 5.55s WALL ( 9352 calls) General routines calbec : 3.76s CPU 4.17s WALL ( 9352 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 32.22s CPU 33.32s WALL ( 900548 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 882 calls) Parallel routines fft_scatter : 17.51s CPU 17.85s WALL ( 900571 calls) PWSCF : 2m 5.94s CPU 2m25.33s WALL This run was terminated on: 17:41:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=